#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gyr n PRO 38 N 0.00 0.72 -1.06 0.00 -0.02 -1.26 -1.31 135.00 132.07 3gyr n PRO 38 Ca 0.00 0.20 -0.02 0.00 -2.02 0.00 0.00 63.50 61.66 3gyr n PRO 38 Cb 0.00 -2.11 -0.01 0.00 -0.02 0.00 0.00 33.50 31.36 3gyr n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gyr n GLY 39 N 6.66 0.52 3.89 -1.23 0.00 -1.26 -5.04 105.19 108.72 3gyr n GLY 39 Ca 0.45 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3gyr n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gyr s GLU 40 N -1.25 3.68 0.30 1.61 2.02 -0.42 -4.75 118.70 119.89 3gyr s GLU 40 Ca 0.00 0.04 -0.26 0.00 0.02 0.00 0.00 54.97 54.77 3gyr s GLU 40 Cb 0.00 -2.75 -0.10 0.00 0.10 0.00 0.00 34.13 31.38 3gyr s GLU 40 CO 0.00 0.38 0.92 -0.51 0.02 0.00 0.00 175.26 176.07 3gyr s LEU 41 N -2.84 4.39 -0.27 1.80 1.43 -1.26 -4.77 118.68 117.16 3gyr s LEU 41 Ca 0.43 1.81 -0.28 0.00 -1.03 0.00 0.00 54.13 55.06 3gyr s LEU 41 Cb -0.12 -3.90 0.01 0.00 0.03 0.00 0.00 46.19 42.21 3gyr s LEU 41 CO 0.24 -0.02 1.02 -0.89 0.23 0.00 0.00 176.35 176.94 3gyr s THR 42 N -1.53 4.64 0.59 5.49 2.01 -1.26 -4.96 115.64 120.61 3gyr s THR 42 Ca 0.48 1.85 -0.19 0.00 0.31 0.00 0.00 61.69 64.14 3gyr s THR 42 Cb -0.20 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 3gyr s THR 42 CO 0.25 -0.28 1.21 -2.16 -0.69 0.00 0.00 174.62 172.95 3gyr s PRO 43 N 3.32 3.00 -0.88 4.92 0.04 -1.26 -3.69 135.00 140.45 3gyr s PRO 43 Ca 0.43 1.83 -0.03 0.00 0.04 0.00 0.00 61.00 63.27 3gyr s PRO 43 Cb -0.14 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3gyr s PRO 43 CO 0.10 -1.19 0.42 1.19 0.04 0.00 0.00 177.00 177.56 3gyr n PHE 44 N -1.55 -1.24 0.03 0.56 0.99 0.12 -4.91 117.46 111.46 3gyr n PHE 44 Ca 0.13 0.36 0.01 0.00 -0.00 0.00 0.00 57.45 57.95 3gyr n PHE 44 Cb 0.49 -3.09 -0.08 0.00 -1.00 0.00 0.00 39.48 35.80 3gyr n PHE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3gyr n ALA 45 N -3.04 1.98 -2.61 4.37 0.00 -1.24 -4.66 120.51 115.31 3gyr n ALA 45 Ca -0.05 -0.53 -0.21 0.00 0.00 0.00 0.00 53.44 52.64 3gyr n ALA 45 Cb 0.56 -0.95 -0.12 0.00 0.00 0.00 0.00 19.45 18.94 3gyr n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gyr s ALA 46 N -2.96 1.53 0.58 0.00 0.00 -1.26 -4.97 121.76 114.68 3gyr s ALA 46 Ca -0.03 -1.14 -0.17 0.00 0.00 0.00 0.00 51.96 50.62 3gyr s ALA 46 Cb 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3gyr s ALA 46 CO 0.81 0.28 1.09 -1.25 0.00 0.00 0.00 175.76 176.69 3gyr s PRO 47 N -1.82 3.24 0.35 0.00 0.04 -1.26 -1.54 135.00 134.00 3gyr s PRO 47 Ca 0.03 1.41 -0.28 0.00 0.04 0.00 0.00 61.00 62.20 3gyr s PRO 47 Cb -0.10 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 3gyr s PRO 47 CO 0.03 -0.91 1.24 -1.17 0.04 0.00 0.00 177.00 176.24 3gyr s LEU 48 N -4.25 4.37 0.47 -3.56 2.96 0.14 -4.72 118.68 114.10 3gyr s LEU 48 Ca 0.68 2.53 0.07 0.00 -0.22 0.00 0.00 54.13 57.19 3gyr s LEU 48 Cb -0.20 -3.76 -0.00 0.00 0.50 0.00 0.00 46.19 42.73 3gyr s LEU 48 CO 0.33 -0.54 0.35 0.42 -1.32 0.00 0.00 176.35 175.59 3gyr s THR 49 N -1.22 2.18 0.02 3.68 -4.23 -1.26 -4.98 115.64 109.83 3gyr s THR 49 Ca 0.51 -1.48 0.03 0.00 -1.18 0.00 0.00 61.69 59.57 3gyr s THR 49 Cb -0.36 -2.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 3gyr s THR 49 CO 0.47 0.00 -0.09 0.68 -0.54 0.00 0.00 174.62 175.14 3gyr s VAL 50 N -2.62 0.67 0.65 2.29 -7.23 -1.26 -4.78 120.40 108.11 3gyr s VAL 50 Ca 0.41 -0.70 -0.17 0.00 -1.81 0.00 0.00 61.98 59.71 3gyr s VAL 50 Cb -0.01 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 3gyr s VAL 50 CO 0.24 -0.05 0.79 -2.65 -0.31 0.00 0.00 175.10 173.12 3gyr n PRO 51 N 2.22 0.61 -1.84 4.82 -0.02 -1.26 -4.94 135.00 134.59 3gyr n PRO 51 Ca -0.17 0.25 -0.35 0.00 -2.02 0.00 0.00 63.50 61.20 3gyr n PRO 51 Cb 0.56 -2.02 0.05 0.00 -0.02 0.00 0.00 33.50 32.07 3gyr n PRO 51 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gyr s PRO 52 N -2.76 2.73 -0.05 0.52 0.04 -1.26 -4.55 135.00 129.67 3gyr s PRO 52 Ca 0.72 1.81 -0.17 0.00 0.04 0.00 0.00 61.00 63.40 3gyr s PRO 52 Cb -0.39 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 3gyr s PRO 52 CO 0.51 -1.39 0.46 0.08 0.04 0.00 0.00 177.00 176.70 3gyr s VAL 53 N -1.71 5.07 -0.15 -0.36 1.01 -1.26 -0.87 120.40 122.13 3gyr s VAL 53 Ca 0.77 0.93 0.01 0.00 0.00 0.00 0.00 61.98 63.69 3gyr s VAL 53 Cb -0.30 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.31 3gyr s VAL 53 CO 0.37 0.45 -0.19 -0.22 0.00 0.00 0.00 175.10 175.51 3gyr s LEU 54 N -0.26 1.99 -0.46 3.92 2.96 0.12 -4.89 118.68 122.06 3gyr s LEU 54 Ca 0.25 -0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 53.49 3gyr s LEU 54 Cb -0.16 -1.37 0.11 0.00 0.50 0.00 0.00 46.19 45.27 3gyr s LEU 54 CO 0.12 0.02 0.33 -0.13 -1.32 0.00 0.00 176.35 175.38 3gyr s ARG 55 N 1.13 2.52 0.03 1.98 0.52 -1.26 -0.99 118.95 122.86 3gyr s ARG 55 Ca -0.01 -1.70 0.26 0.00 -0.52 0.00 0.00 55.73 53.77 3gyr s ARG 55 Cb -0.14 -3.91 0.77 0.00 0.52 0.00 0.00 34.95 32.19 3gyr s ARG 55 CO -0.07 -1.15 1.61 -0.35 0.02 0.00 0.00 175.30 175.36 3gyr n PRO 56 N 4.92 0.05 -1.92 3.54 -0.04 -1.26 -4.91 135.00 135.39 3gyr n PRO 56 Ca -0.08 0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 62.99 3gyr n PRO 56 Cb 0.41 -1.54 -0.00 0.00 -0.04 0.00 0.00 33.50 32.33 3gyr n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gyr s ALA 57 N -3.03 3.47 0.31 0.55 0.00 -1.26 -4.90 121.76 116.89 3gyr s ALA 57 Ca 0.11 1.43 -0.05 0.00 0.00 0.00 0.00 51.96 53.46 3gyr s ALA 57 Cb 0.17 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.76 3gyr s ALA 57 CO 0.63 -0.94 0.49 -1.13 0.00 0.00 0.00 175.76 174.82 3gyr n SER 58 N 0.41 -1.40 0.06 0.00 3.41 -1.26 -5.06 113.62 109.78 3gyr n SER 58 Ca 0.02 -2.49 -0.07 0.00 -0.26 0.00 0.00 58.87 56.06 3gyr n SER 58 Cb 0.41 2.49 -0.11 0.00 -0.26 0.00 0.00 64.21 66.73 3gyr n SER 58 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3gyr h ASP 59 N 1.65 0.03 -3.09 4.04 3.32 -1.98 -3.41 116.42 116.98 3gyr h ASP 59 Ca -0.24 -0.03 -0.75 0.00 0.02 0.00 0.00 57.03 56.03 3gyr h ASP 59 Cb 1.00 -0.01 -0.23 0.00 0.22 0.00 0.00 39.33 40.31 3gyr h ASP 59 CO 0.32 1.01 -0.18 -0.70 -1.72 0.00 0.00 179.24 177.98 3gyr s GLU 60 N -2.73 3.00 0.42 3.56 2.12 -1.26 -4.94 118.70 118.87 3gyr s GLU 60 Ca 0.01 -1.61 0.19 0.00 0.36 0.00 0.00 54.97 53.92 3gyr s GLU 60 Cb 0.10 -4.28 0.93 0.00 0.26 0.00 0.00 34.13 31.15 3gyr s GLU 60 CO 0.82 -1.33 1.87 -0.24 -0.54 0.00 0.00 175.26 175.85 3gyr h VAL 61 N 5.88 0.90 0.00 3.70 3.04 -1.92 -2.76 116.25 125.09 3gyr h VAL 61 Ca -0.30 -1.12 0.00 0.00 -1.01 0.00 0.00 66.70 64.27 3gyr h VAL 61 Cb 1.10 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 32.04 3gyr h VAL 61 CO 1.03 0.28 0.00 0.71 -1.01 0.00 0.00 177.57 178.58 3gyr h THR 62 N 0.00 0.00 -3.37 3.17 1.35 -1.98 -3.41 112.91 108.67 3gyr h THR 62 Ca -0.00 -0.39 -0.58 0.00 -0.55 0.00 0.00 66.41 64.89 3gyr h THR 62 Cb 0.64 1.26 -0.09 0.00 -1.73 0.00 0.00 68.15 68.23 3gyr h THR 62 CO 0.04 0.00 0.80 -0.60 -0.25 0.00 0.00 175.52 175.51 3gyr s ARG 63 N -3.26 3.51 0.42 4.72 3.52 -1.04 -5.04 118.95 121.77 3gyr s ARG 63 Ca 0.06 0.17 -0.17 0.00 -0.13 0.00 0.00 55.73 55.66 3gyr s ARG 63 Cb 0.10 -3.99 -0.09 0.00 -1.56 0.00 0.00 34.95 29.41 3gyr s ARG 63 CO 0.50 -1.51 0.88 -1.21 -0.81 0.00 0.00 175.30 173.15 3gyr s GLU 64 N 4.42 4.04 -0.31 5.12 2.02 -1.26 -4.85 118.70 127.88 3gyr s GLU 64 Ca 0.40 0.88 -0.23 0.00 0.02 0.00 0.00 54.97 56.03 3gyr s GLU 64 Cb -0.09 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.88 3gyr s GLU 64 CO 0.25 -0.04 0.79 0.99 0.02 0.00 0.00 175.26 177.27 3gyr s THR 65 N -2.26 4.78 0.01 3.63 2.01 -0.33 -4.90 115.64 118.57 3gyr s THR 65 Ca 0.58 1.14 -0.30 0.00 0.31 0.00 0.00 61.69 63.42 3gyr s THR 65 Cb -0.10 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 3gyr s THR 65 CO 0.21 -0.27 1.13 -0.70 -0.69 0.00 0.00 174.62 174.30 3gyr s GLU 66 N 2.98 4.45 -0.32 4.92 2.12 -1.26 -1.20 118.70 130.38 3gyr s GLU 66 Ca 0.32 1.63 0.03 0.00 0.36 0.00 0.00 54.97 57.32 3gyr s GLU 66 Cb -0.14 -3.44 0.09 0.00 0.26 0.00 0.00 34.13 30.90 3gyr s GLU 66 CO 0.13 -0.25 0.01 0.42 -0.54 0.00 0.00 175.26 175.03 3gyr s ILE 67 N 1.38 2.18 -0.28 -3.70 1.01 -0.36 -4.94 121.20 116.49 3gyr s ILE 67 Ca 0.56 -2.11 -0.19 0.00 0.00 0.00 0.00 60.65 58.90 3gyr s ILE 67 Cb -0.25 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 3gyr s ILE 67 CO 0.26 -0.46 0.55 0.00 0.00 0.00 0.00 174.94 175.30 3gyr s ALA 68 N 0.99 3.57 -0.07 9.38 0.00 -1.26 -0.70 121.76 133.67 3gyr s ALA 68 Ca 0.06 -0.63 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 3gyr s ALA 68 Cb -0.19 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3gyr s ALA 68 CO -0.08 -0.86 1.27 -0.51 0.00 0.00 0.00 175.76 175.58 3gyr s LEU 69 N 2.40 4.27 0.02 0.00 1.02 -0.14 0.44 118.68 126.68 3gyr s LEU 69 Ca 0.22 1.86 -0.00 0.00 0.02 0.00 0.00 54.13 56.23 3gyr s LEU 69 Cb -0.15 -3.55 -0.02 0.00 0.02 0.00 0.00 46.19 42.48 3gyr s LEU 69 CO 0.10 -0.66 -0.02 -0.13 0.02 0.00 0.00 176.35 175.66 3gyr s ARG 70 N 2.60 0.32 0.66 1.70 0.52 -0.45 -1.67 118.95 122.62 3gyr s ARG 70 Ca 0.58 -0.60 -0.18 0.00 -0.52 0.00 0.00 55.73 55.01 3gyr s ARG 70 Cb -0.26 0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.32 3gyr s ARG 70 CO 0.21 -0.05 1.28 -2.14 0.02 0.00 0.00 175.30 174.62 3gyr s PRO 71 N -1.45 2.51 -0.03 3.54 0.02 -1.26 -1.09 135.00 137.25 3gyr s PRO 71 Ca -0.16 2.02 -0.29 0.00 0.02 0.00 0.00 61.00 62.59 3gyr s PRO 71 Cb -0.10 -1.85 0.08 0.00 0.02 0.00 0.00 34.50 32.66 3gyr s PRO 71 CO -0.01 -1.62 0.73 -0.08 -0.33 0.00 0.00 177.00 175.70 3gyr s THR 72 N -1.47 0.00 -0.18 0.99 -1.32 -0.11 -4.84 115.64 108.71 3gyr s THR 72 Ca 0.81 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 61.27 3gyr s THR 72 Cb -0.36 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.62 3gyr s THR 72 CO 0.40 0.00 -0.08 0.26 -2.21 0.00 0.00 174.62 172.99 3gyr s TRP 73 N -1.74 2.90 -0.09 9.09 0.52 -1.26 -0.25 118.94 128.11 3gyr s TRP 73 Ca -0.06 -0.83 0.04 0.00 0.02 0.00 0.00 56.10 55.26 3gyr s TRP 73 Cb -0.00 -1.99 0.00 0.00 -1.15 0.00 0.00 33.47 30.33 3gyr s TRP 73 CO 0.03 -0.41 -0.22 0.08 0.02 0.00 0.00 176.95 176.46 3gyr s VAL 74 N 0.99 1.88 -0.86 4.03 1.01 -0.14 -4.84 120.40 122.47 3gyr s VAL 74 Ca -0.01 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 3gyr s VAL 74 Cb -0.15 -1.63 0.09 0.00 0.00 0.00 0.00 36.38 34.69 3gyr s VAL 74 CO -0.00 0.52 1.16 -0.60 0.00 0.00 0.00 175.10 176.17 3gyr s ARG 75 N 0.34 3.44 0.35 2.72 6.06 -1.26 -1.00 118.95 129.61 3gyr s ARG 75 Ca -0.16 -1.28 0.05 0.00 -2.50 0.00 0.00 55.73 51.84 3gyr s ARG 75 Cb -0.17 -4.77 0.71 0.00 0.06 0.00 0.00 34.95 30.78 3gyr s ARG 75 CO 0.07 -1.90 1.94 -0.07 -2.50 0.00 0.00 175.30 172.84 3gyr h LEU 76 N 11.32 0.71 -7.00 -0.88 3.38 -1.83 -3.46 115.31 117.55 3gyr h LEU 76 Ca 0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gyr h LEU 76 Cb 1.04 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.42 3gyr h LEU 76 CO 1.20 0.44 0.27 -2.28 0.09 0.00 0.00 178.44 178.16 3gyr s HIS 77 N -5.72 -0.64 0.57 1.13 5.04 -1.26 -1.01 115.29 113.40 3gyr s HIS 77 Ca -0.10 1.48 0.26 0.00 -1.54 0.00 0.00 55.06 55.16 3gyr s HIS 77 Cb 0.20 0.33 1.59 0.00 0.04 0.00 0.00 32.58 34.74 3gyr s HIS 77 CO 0.78 -0.37 2.13 -1.00 -2.34 0.00 0.00 174.74 173.94 3gyr h PRO 78 N 4.26 0.00 -0.06 2.88 0.13 -1.93 -1.01 132.00 136.26 3gyr h PRO 78 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3gyr h PRO 78 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3gyr h PRO 78 CO 0.14 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 178.95 3gyr n GLN 79 N -4.02 1.29 -4.25 0.86 6.02 -1.26 -4.82 117.38 111.19 3gyr n GLN 79 Ca 0.01 -0.43 -0.26 0.00 -0.01 0.00 0.00 57.00 56.30 3gyr n GLN 79 Cb 0.26 -1.33 -0.08 0.00 1.02 0.00 0.00 30.24 30.11 3gyr n GLN 79 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gyr s LEU 80 N -1.57 3.14 0.97 1.08 1.43 -0.38 -5.04 118.68 118.30 3gyr s LEU 80 Ca 0.29 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 3gyr s LEU 80 Cb 0.15 -1.80 0.17 0.00 0.03 0.00 0.00 46.19 44.74 3gyr s LEU 80 CO 0.23 0.09 1.08 -2.16 0.23 0.00 0.00 176.35 175.83 3gyr s PRO 81 N -2.93 0.66 0.63 1.29 0.04 -1.26 -4.78 135.00 128.65 3gyr s PRO 81 Ca 0.26 0.86 -0.19 0.00 0.04 0.00 0.00 61.00 61.98 3gyr s PRO 81 Cb -0.09 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 3gyr s PRO 81 CO 0.17 -2.66 1.27 -2.30 0.04 0.00 0.00 177.00 173.52 3gyr n PRO 82 N -4.18 1.18 -4.90 0.56 -0.02 -1.26 -4.67 135.00 121.71 3gyr n PRO 82 Ca 0.06 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.68 3gyr n PRO 82 Cb 0.55 -2.51 -0.15 0.00 -0.02 0.00 0.00 33.50 31.37 3gyr n PRO 82 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3gyr s THR 83 N -1.38 2.80 0.05 3.45 2.01 -0.17 -4.86 115.64 117.54 3gyr s THR 83 Ca 0.81 -0.76 -0.31 0.00 0.31 0.00 0.00 61.69 61.74 3gyr s THR 83 Cb -0.39 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 3gyr s THR 83 CO 0.42 0.54 1.22 -0.22 -0.69 0.00 0.00 174.62 175.89 3gyr s LEU 84 N 0.26 4.36 0.28 4.42 2.96 -1.26 -0.97 118.68 128.73 3gyr s LEU 84 Ca -0.11 2.01 0.03 0.00 -0.22 0.00 0.00 54.13 55.84 3gyr s LEU 84 Cb -0.16 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3gyr s LEU 84 CO 0.06 -0.50 0.16 -0.04 -1.32 0.00 0.00 176.35 174.71 3gyr s MET 85 N 1.26 1.52 -0.12 1.98 -1.94 0.65 -4.79 119.30 117.86 3gyr s MET 85 Ca 0.59 -1.86 0.01 0.00 -1.71 0.00 0.00 55.69 52.72 3gyr s MET 85 Cb -0.29 -0.00 -0.01 0.00 2.01 0.00 0.00 34.83 36.53 3gyr s MET 85 CO 0.28 -0.45 -0.16 -1.58 -0.01 0.00 0.00 175.02 173.11 3gyr s TRP 86 N -3.70 2.74 -0.00 -0.03 0.51 0.22 -0.93 118.94 117.74 3gyr s TRP 86 Ca 0.37 -0.71 0.01 0.00 -2.12 0.00 0.00 56.10 53.66 3gyr s TRP 86 Cb 0.05 -1.80 -0.00 0.00 -0.81 0.00 0.00 33.47 30.91 3gyr s TRP 86 CO 0.17 -0.23 -0.05 0.20 -0.51 0.00 0.00 176.95 176.53 3gyr s GLY 87 N 0.27 0.24 0.11 0.98 0.00 -0.25 -3.26 107.32 105.42 3gyr s GLY 87 Ca -0.11 -0.23 -0.31 0.00 0.00 0.00 0.00 44.72 44.07 3gyr s GLY 87 CO 0.06 -0.20 1.67 -0.19 0.00 0.00 0.00 173.10 174.45 3gyr s TYR 88 N -0.17 2.55 -0.97 1.90 2.02 -1.18 -1.01 117.35 120.49 3gyr s TYR 88 Ca 0.01 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.04 3gyr s TYR 88 Cb -0.02 -4.01 0.00 0.00 -0.40 0.00 0.00 41.96 37.53 3gyr s TYR 88 CO -0.00 -3.98 0.00 -0.25 -1.57 0.00 0.00 175.55 169.75 3gyr n ASP 89 N 5.12 -3.38 -0.80 2.29 8.00 0.17 -1.00 116.55 126.96 3gyr n ASP 89 Ca 0.16 0.24 -0.10 0.00 0.71 0.00 0.00 54.79 55.79 3gyr n ASP 89 Cb 0.39 -2.96 -0.04 0.00 -0.02 0.00 0.00 41.12 38.49 3gyr n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gyr n GLY 90 N -0.64 1.17 3.44 0.44 0.00 -0.18 -4.97 105.19 104.44 3gyr n GLY 90 Ca -0.12 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 3gyr n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gyr s GLN 91 N -2.79 2.50 -0.12 1.61 -1.52 -0.17 -4.86 119.66 114.30 3gyr s GLN 91 Ca 0.00 -0.74 -0.00 0.00 -1.95 0.00 0.00 55.36 52.67 3gyr s GLN 91 Cb 0.00 -2.34 0.02 0.00 -0.22 0.00 0.00 33.01 30.48 3gyr s GLN 91 CO 0.00 0.58 -0.09 0.08 -0.25 0.00 0.00 175.29 175.61 3gyr s VAL 92 N -0.63 1.18 1.01 1.09 1.01 -1.26 -3.11 120.40 119.69 3gyr s VAL 92 Ca 0.09 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 3gyr s VAL 92 Cb -0.11 -1.16 0.17 0.00 0.00 0.00 0.00 36.38 35.27 3gyr s VAL 92 CO 0.01 0.39 0.88 -2.65 0.00 0.00 0.00 175.10 173.73 3gyr n PRO 93 N 4.90 -1.09 -0.62 2.72 -0.02 -1.26 -4.29 135.00 135.33 3gyr n PRO 93 Ca -0.14 -0.27 -0.28 0.00 -2.02 0.00 0.00 63.50 60.79 3gyr n PRO 93 Cb 0.50 -2.17 0.25 0.00 -0.02 0.00 0.00 33.50 32.05 3gyr n PRO 93 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3gyr s GLY 94 N -2.40 1.54 0.79 -1.23 0.00 0.92 -4.76 107.32 102.18 3gyr s GLY 94 Ca 0.65 -0.17 -0.14 0.00 0.00 0.00 0.00 44.72 45.05 3gyr s GLY 94 CO 0.62 0.54 1.20 -1.05 0.00 0.00 0.00 173.10 174.41 3gyr n PRO 95 N -4.86 0.31 -2.77 2.90 -0.02 -1.26 -4.56 135.00 124.74 3gyr n PRO 95 Ca 0.03 0.18 -0.43 0.00 -2.02 0.00 0.00 63.50 61.26 3gyr n PRO 95 Cb 0.55 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 3gyr n PRO 95 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3gyr s THR 96 N -2.02 4.44 0.12 3.45 2.01 -0.05 -4.19 115.64 119.40 3gyr s THR 96 Ca 0.74 0.92 -0.29 0.00 0.31 0.00 0.00 61.69 63.38 3gyr s THR 96 Cb -0.30 -4.45 -0.06 0.00 0.01 0.00 0.00 72.50 67.69 3gyr s THR 96 CO 0.50 -0.82 0.91 -0.63 -0.69 0.00 0.00 174.62 173.88 3gyr s ILE 97 N 3.85 4.47 -0.05 1.82 1.01 -0.71 0.11 121.20 131.70 3gyr s ILE 97 Ca 0.40 1.97 0.01 0.00 0.00 0.00 0.00 60.65 63.03 3gyr s ILE 97 Cb -0.10 -4.27 0.02 0.00 0.01 0.00 0.00 42.46 38.12 3gyr s ILE 97 CO 0.26 0.37 -0.07 -0.70 0.00 0.00 0.00 174.94 174.80 3gyr s GLU 98 N -0.27 1.07 0.24 2.79 2.12 -0.17 -0.82 118.70 123.66 3gyr s GLU 98 Ca 0.44 -0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.59 3gyr s GLU 98 Cb -0.23 -1.00 -0.04 0.00 0.26 0.00 0.00 34.13 33.12 3gyr s GLU 98 CO 0.29 -0.06 0.15 0.14 -0.54 0.00 0.00 175.26 175.24 3gyr s VAL 99 N 0.87 0.13 0.11 3.70 -7.23 -0.81 -4.24 120.40 112.93 3gyr s VAL 99 Ca -0.12 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.09 3gyr s VAL 99 Cb -0.15 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 3gyr s VAL 99 CO 0.01 0.00 0.14 -0.13 -0.31 0.00 0.00 175.10 174.81 3gyr s ARG 100 N -4.00 3.03 0.13 4.82 0.52 -1.26 -1.40 118.95 120.79 3gyr s ARG 100 Ca 0.39 -0.70 -0.35 0.00 -0.52 0.00 0.00 55.73 54.55 3gyr s ARG 100 Cb 0.06 -2.77 -0.16 0.00 0.52 0.00 0.00 34.95 32.59 3gyr s ARG 100 CO 0.15 0.54 1.24 -2.13 0.02 0.00 0.00 175.30 175.12 3gyr n ARG 101 N 0.06 1.11 0.00 3.54 0.63 0.14 -1.34 116.66 120.80 3gyr n ARG 101 Ca -0.08 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 3gyr n ARG 101 Cb 0.53 -1.96 0.00 0.00 0.45 0.00 0.00 32.46 31.48 3gyr n ARG 101 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gyr n GLY 102 N 2.25 2.24 3.58 5.14 0.00 0.27 -5.00 105.19 113.67 3gyr n GLY 102 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3gyr n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gyr s GLN 103 N -0.31 3.29 -0.00 1.61 -0.21 -0.45 -4.94 119.66 118.66 3gyr s GLN 103 Ca 0.00 0.61 -0.30 0.00 0.02 0.00 0.00 55.36 55.68 3gyr s GLN 103 Cb 0.00 -4.13 -0.05 0.00 1.00 0.00 0.00 33.01 29.83 3gyr s GLN 103 CO 0.00 -1.94 1.26 0.50 -2.12 0.00 0.00 175.29 172.99 3gyr s ARG 104 N 5.55 4.36 0.01 2.91 3.52 -1.26 -4.57 118.95 129.46 3gyr s ARG 104 Ca 0.57 1.79 0.03 0.00 -0.13 0.00 0.00 55.73 57.98 3gyr s ARG 104 Cb -0.12 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.77 3gyr s ARG 104 CO 0.26 -0.43 -0.10 0.08 -0.81 0.00 0.00 175.30 174.31 3gyr s VAL 105 N 1.90 0.75 -0.10 7.11 1.01 -0.83 -4.75 120.40 125.49 3gyr s VAL 105 Ca 0.59 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3gyr s VAL 105 Cb -0.28 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.45 3gyr s VAL 105 CO 0.25 0.09 -0.13 -0.13 0.00 0.00 0.00 175.10 175.19 3gyr s ARG 106 N -0.53 1.97 -0.07 2.72 0.52 -1.26 0.05 118.95 122.34 3gyr s ARG 106 Ca 0.02 -0.47 0.04 0.00 -0.52 0.00 0.00 55.73 54.80 3gyr s ARG 106 Cb -0.05 -1.72 0.00 0.00 0.52 0.00 0.00 34.95 33.70 3gyr s ARG 106 CO 0.00 -0.08 -0.20 0.42 0.02 0.00 0.00 175.30 175.47 3gyr s ILE 107 N 1.04 1.68 -0.54 1.52 1.01 -0.54 -1.19 121.20 124.18 3gyr s ILE 107 Ca -0.06 -0.82 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 3gyr s ILE 107 Cb -0.15 -1.45 0.13 0.00 0.01 0.00 0.00 42.46 41.00 3gyr s ILE 107 CO -0.02 0.47 0.49 0.00 0.00 0.00 0.00 174.94 175.89 3gyr s ALA 108 N 0.25 3.63 -0.66 9.38 0.00 -0.34 -1.20 121.76 132.83 3gyr s ALA 108 Ca -0.11 -2.56 -0.27 0.00 0.00 0.00 0.00 51.96 49.02 3gyr s ALA 108 Cb -0.15 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.75 3gyr s ALA 108 CO 0.05 -2.01 1.45 -1.58 0.00 0.00 0.00 175.76 173.67 3gyr s TRP 109 N 1.55 2.14 -0.21 0.00 0.52 0.08 -1.22 118.94 121.80 3gyr s TRP 109 Ca 0.04 0.30 -0.02 0.00 0.02 0.00 0.00 56.10 56.44 3gyr s TRP 109 Cb -0.29 -4.43 0.01 0.00 -1.15 0.00 0.00 33.47 27.60 3gyr s TRP 109 CO 0.02 -2.10 -0.11 0.99 0.02 0.00 0.00 176.95 175.78 3gyr s THR 110 N 6.61 2.82 -0.61 2.01 2.01 0.13 -0.68 115.64 127.92 3gyr s THR 110 Ca 0.48 -0.71 -0.28 0.00 0.31 0.00 0.00 61.69 61.49 3gyr s THR 110 Cb -0.10 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.18 3gyr s THR 110 CO 0.19 0.45 1.22 0.21 -0.69 0.00 0.00 174.62 176.01 3gyr s ASN 111 N 1.39 6.38 -0.29 3.53 3.84 -0.71 -0.97 114.94 128.11 3gyr s ASN 111 Ca 0.05 0.02 0.08 0.00 0.21 0.00 0.00 52.86 53.22 3gyr s ASN 111 Cb -0.14 -2.55 0.48 0.00 -0.55 0.00 0.00 41.25 38.49 3gyr s ASN 111 CO -0.07 -1.56 1.41 0.54 -2.79 0.00 0.00 177.10 174.63 3gyr n ARG 112 N 8.63 2.01 -3.02 0.43 5.12 -0.67 0.15 116.66 129.31 3gyr n ARG 112 Ca 0.08 -3.34 -0.43 0.00 -1.93 0.00 0.00 57.85 52.23 3gyr n ARG 112 Cb 0.49 -1.85 -0.06 0.00 -1.16 0.00 0.00 32.46 29.88 3gyr n ARG 112 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3gyr s ILE 113 N -3.47 4.71 0.56 0.55 1.01 -1.17 -4.67 121.20 118.71 3gyr s ILE 113 Ca 0.45 0.18 -0.19 0.00 0.00 0.00 0.00 60.65 61.09 3gyr s ILE 113 Cb 0.40 -4.30 -0.07 0.00 0.01 0.00 0.00 42.46 38.50 3gyr s ILE 113 CO -0.01 -0.73 0.82 -2.65 0.00 0.00 0.00 174.94 172.36 3gyr n PRO 114 N 6.58 0.83 -2.01 2.79 -0.02 -1.26 -4.48 135.00 137.43 3gyr n PRO 114 Ca -0.00 0.32 -0.38 0.00 -2.02 0.00 0.00 63.50 61.41 3gyr n PRO 114 Cb 0.48 -1.98 0.02 0.00 -0.02 0.00 0.00 33.50 31.99 3gyr n PRO 114 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3gyr s LYS 115 N -2.39 3.49 0.00 -0.52 1.02 -1.26 -2.26 119.74 117.82 3gyr s LYS 115 Ca 0.71 2.04 0.00 0.00 0.02 0.00 0.00 55.97 58.74 3gyr s LYS 115 Cb -0.45 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 3gyr s LYS 115 CO 0.51 -0.85 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 3gyr n GLY 116 N 0.60 2.15 3.48 -3.33 0.00 -1.26 -5.02 105.19 101.80 3gyr n GLY 116 Ca 0.08 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.63 3gyr n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gyr n SER 117 N 0.00 -0.20 -4.75 1.61 7.64 -0.96 -4.92 113.62 112.04 3gyr n SER 117 Ca 0.00 1.15 -0.41 0.00 1.01 0.00 0.00 58.87 60.62 3gyr n SER 117 Cb 0.00 -1.08 -0.03 0.00 -1.01 0.00 0.00 64.21 62.09 3gyr n SER 117 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3gyr s GLU 118 N -1.16 4.44 0.09 1.43 2.12 -1.26 -4.94 118.70 119.44 3gyr s GLU 118 Ca 0.63 2.04 -0.31 0.00 0.36 0.00 0.00 54.97 57.69 3gyr s GLU 118 Cb -0.85 -3.16 -0.07 0.00 0.26 0.00 0.00 34.13 30.32 3gyr s GLU 118 CO 0.57 -0.11 1.25 -0.47 -0.54 0.00 0.00 175.26 175.96 3gyr s TYR 119 N -0.60 3.38 -0.33 5.30 5.04 -1.26 -4.93 117.35 123.95 3gyr s TYR 119 Ca 0.51 1.22 0.27 0.00 -2.44 0.00 0.00 57.07 56.63 3gyr s TYR 119 Cb -0.36 -3.50 0.86 0.00 0.35 0.00 0.00 41.96 39.31 3gyr s TYR 119 CO 0.44 -1.58 1.78 -1.35 -1.34 0.00 0.00 175.55 173.49 3gyr h PRO 120 N 6.57 0.00 -5.20 4.97 0.11 -1.94 -3.43 132.00 133.08 3gyr h PRO 120 Ca -0.42 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.04 3gyr h PRO 120 Cb 1.21 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.07 3gyr h PRO 120 CO 0.82 0.00 -0.71 0.08 -0.21 0.00 0.00 178.00 177.98 3gyr s VAL 121 N -3.35 3.50 0.02 3.15 1.01 -1.26 -4.15 120.40 119.32 3gyr s VAL 121 Ca 0.05 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 3gyr s VAL 121 Cb 0.08 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 3gyr s VAL 121 CO 0.57 0.47 0.53 -0.89 0.00 0.00 0.00 175.10 175.78 3gyr s THR 122 N 0.76 4.89 -0.12 3.92 2.01 0.70 -4.80 115.64 123.00 3gyr s THR 122 Ca -0.03 1.11 0.03 0.00 0.31 0.00 0.00 61.69 63.12 3gyr s THR 122 Cb -0.15 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.51 3gyr s THR 122 CO 0.02 0.50 -0.23 -0.55 -0.69 0.00 0.00 174.62 173.67 3gyr s SER 123 N -0.68 3.14 0.03 3.53 0.15 -1.26 0.79 113.70 119.39 3gyr s SER 123 Ca 0.28 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.36 3gyr s SER 123 Cb -0.18 -1.43 -0.03 0.00 -1.71 0.00 0.00 66.02 62.67 3gyr s SER 123 CO 0.16 0.13 -0.04 0.68 1.20 0.00 0.00 173.24 175.37 3gyr s VAL 124 N 0.53 0.23 -0.12 4.45 -7.23 -0.24 0.10 120.40 118.12 3gyr s VAL 124 Ca -0.14 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 3gyr s VAL 124 Cb -0.17 -0.66 -0.01 0.00 0.56 0.00 0.00 36.38 36.10 3gyr s VAL 124 CO 0.05 -0.61 -0.15 -1.61 -0.31 0.00 0.00 175.10 172.47 3gyr s GLU 125 N -2.14 3.23 0.16 4.82 2.02 -1.26 -1.45 118.70 124.07 3gyr s GLU 125 Ca -0.09 -0.71 0.10 0.00 0.02 0.00 0.00 54.97 54.29 3gyr s GLU 125 Cb -0.05 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 3gyr s GLU 125 CO -0.03 0.26 -0.23 0.14 0.02 0.00 0.00 175.26 175.43 3gyr s VAL 126 N 0.20 2.11 0.96 2.63 -7.23 0.00 -4.90 120.40 114.18 3gyr s VAL 126 Ca -0.09 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 3gyr s VAL 126 Cb -0.15 -1.95 0.17 0.00 0.56 0.00 0.00 36.38 35.00 3gyr s VAL 126 CO 0.05 -0.12 1.09 -2.84 -0.31 0.00 0.00 175.10 172.97 3gyr s PRO 127 N -2.49 0.72 0.21 4.82 0.02 -1.26 -0.07 135.00 136.95 3gyr s PRO 127 Ca 0.16 1.03 -0.09 0.00 0.02 0.00 0.00 61.00 62.12 3gyr s PRO 127 Cb -0.08 -1.73 0.30 0.00 0.02 0.00 0.00 34.50 33.01 3gyr s PRO 127 CO 0.08 -2.67 1.71 -0.07 -0.33 0.00 0.00 177.00 175.72 3gyr h LEU 128 N -1.87 0.07 -0.27 -5.54 3.38 -1.96 -3.43 115.31 105.68 3gyr h LEU 128 Ca -0.50 0.11 0.22 0.00 0.09 0.00 0.00 57.88 57.79 3gyr h LEU 128 Cb 1.29 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 42.08 3gyr h LEU 128 CO 0.50 0.04 -0.56 0.61 0.09 0.00 0.00 178.44 179.12 3gyr n GLY 129 N -1.31 -2.45 3.75 0.83 0.00 -1.26 -4.52 105.19 100.22 3gyr n GLY 129 Ca 0.09 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 3gyr n GLY 129 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gyr s PRO 130 N -2.87 2.62 0.47 1.61 0.02 -1.26 -4.96 135.00 130.63 3gyr s PRO 130 Ca 0.00 1.66 -0.22 0.00 0.02 0.00 0.00 61.00 62.46 3gyr s PRO 130 Cb 0.00 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.54 3gyr s PRO 130 CO 0.00 -1.44 1.14 -2.14 -0.33 0.00 0.00 177.00 174.23 3gyr s PRO 131 N -3.77 3.73 0.00 5.54 0.02 -1.26 -3.45 135.00 135.82 3gyr s PRO 131 Ca 0.73 1.71 0.00 0.00 0.02 0.00 0.00 61.00 63.46 3gyr s PRO 131 Cb -0.27 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 31.91 3gyr s PRO 131 CO 0.40 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 3gyr n GLY 132 N 0.36 0.48 3.74 0.52 0.00 -1.26 -5.01 105.19 104.02 3gyr n GLY 132 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 3gyr n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gyr s THR 133 N -2.31 4.05 0.21 2.61 -4.23 -1.22 -5.04 115.64 109.69 3gyr s THR 133 Ca 0.00 -1.54 -0.32 0.00 -1.18 0.00 0.00 61.69 58.65 3gyr s THR 133 Cb 0.00 -3.15 -0.14 0.00 1.34 0.00 0.00 72.50 70.55 3gyr s THR 133 CO 0.00 -0.31 1.31 -2.65 -0.54 0.00 0.00 174.62 172.43 3gyr n PRO 134 N -0.88 1.67 -1.82 3.99 -0.02 -1.26 -4.90 135.00 131.78 3gyr n PRO 134 Ca -0.08 0.59 -0.34 0.00 -2.02 0.00 0.00 63.50 61.66 3gyr n PRO 134 Cb 0.58 -2.18 0.05 0.00 -0.02 0.00 0.00 33.50 31.92 3gyr n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gyr s ALA 135 N -0.10 2.46 -0.69 3.55 0.00 -1.26 -4.91 121.76 120.80 3gyr s ALA 135 Ca 0.70 0.70 0.22 0.00 0.00 0.00 0.00 51.96 53.59 3gyr s ALA 135 Cb -0.74 -3.37 0.88 0.00 0.00 0.00 0.00 23.12 19.90 3gyr s ALA 135 CO 0.50 -1.28 1.67 -2.30 0.00 0.00 0.00 175.76 174.36 3gyr n PRO 136 N -2.18 0.14 0.00 0.00 -0.02 -1.26 -1.38 135.00 130.30 3gyr n PRO 136 Ca 0.11 0.32 0.10 0.00 -2.02 0.00 0.00 63.50 62.01 3gyr n PRO 136 Cb 0.51 -1.73 0.58 0.00 -0.02 0.00 0.00 33.50 32.84 3gyr n PRO 136 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3gyr n ASN 137 N -1.98 0.00 -0.36 2.55 6.94 -1.26 -1.90 115.26 119.24 3gyr n ASN 137 Ca 0.03 -1.14 0.14 0.00 -0.02 0.00 0.00 54.58 53.59 3gyr n ASN 137 Cb 0.25 0.00 0.51 0.00 -2.36 0.00 0.00 39.78 38.18 3gyr n ASN 137 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3gyr n THR 138 N -0.85 0.00 -4.10 5.53 -1.04 -0.48 -3.96 114.28 109.38 3gyr n THR 138 Ca 0.15 -0.19 -0.13 0.00 -2.04 0.00 0.00 64.05 61.84 3gyr n THR 138 Cb 0.07 0.38 -0.11 0.00 -1.82 0.00 0.00 70.33 68.85 3gyr n THR 138 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gyr s GLU 139 N -2.18 0.64 0.83 -2.82 2.02 -0.80 -4.75 118.70 111.64 3gyr s GLU 139 Ca 0.34 -0.94 -0.11 0.00 0.02 0.00 0.00 54.97 54.27 3gyr s GLU 139 Cb 0.20 -0.29 0.09 0.00 0.10 0.00 0.00 34.13 34.23 3gyr s GLU 139 CO 0.40 0.04 1.09 -1.25 0.02 0.00 0.00 175.26 175.56 3gyr s PRO 140 N -2.26 1.84 0.00 0.39 0.04 -1.26 -4.91 135.00 128.83 3gyr s PRO 140 Ca -0.03 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.79 3gyr s PRO 140 Cb -0.05 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3gyr s PRO 140 CO -0.01 -1.83 0.00 0.41 0.04 0.00 0.00 177.00 175.61 3gyr n GLY 141 N -1.64 1.18 0.58 0.56 0.00 -0.28 -4.77 105.19 100.82 3gyr n GLY 141 Ca 0.07 -1.83 0.13 0.00 0.00 0.00 0.00 46.02 44.40 3gyr n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gyr n ARG 142 N 1.19 1.81 0.00 1.61 1.74 -1.26 -4.92 116.66 116.83 3gyr n ARG 142 Ca 0.00 -1.17 0.00 0.00 -0.77 0.00 0.00 57.85 55.91 3gyr n ARG 142 Cb 0.00 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 3gyr n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gyr n GLY 143 N 1.21 3.12 0.31 -0.13 0.00 -1.26 -0.84 105.19 107.61 3gyr n GLY 143 Ca 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 3gyr n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gyr h GLY 144 N 0.00 0.93 -3.36 -0.02 0.00 -2.01 -3.48 103.07 95.12 3gyr h GLY 144 Ca 0.00 -0.51 -0.50 0.00 0.00 0.00 0.00 47.33 46.32 3gyr h GLY 144 CO 0.00 0.48 0.48 0.14 0.00 0.00 0.00 176.54 177.64 3gyr s VAL 145 N -5.29 3.36 0.22 4.60 1.01 -0.02 -4.99 120.40 119.29 3gyr s VAL 145 Ca -0.10 1.22 -0.31 0.00 0.00 0.00 0.00 61.98 62.79 3gyr s VAL 145 Cb 0.16 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.72 3gyr s VAL 145 CO 0.80 0.18 1.51 -1.61 0.00 0.00 0.00 175.10 175.98 3gyr s GLU 146 N -1.99 4.23 0.14 2.72 0.41 -1.26 -4.87 118.70 118.09 3gyr s GLU 146 Ca 0.52 2.35 -0.34 0.00 -0.41 0.00 0.00 54.97 57.09 3gyr s GLU 146 Cb -0.30 -3.12 -0.16 0.00 -1.78 0.00 0.00 34.13 28.77 3gyr s GLU 146 CO 0.38 -0.52 1.27 -2.30 -0.49 0.00 0.00 175.26 173.60 3gyr n PRO 147 N 2.98 1.27 -1.60 0.39 -0.02 -1.26 -4.77 135.00 131.99 3gyr n PRO 147 Ca 0.10 0.45 -0.44 0.00 -2.02 0.00 0.00 63.50 61.59 3gyr n PRO 147 Cb 0.39 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 3gyr n PRO 147 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3gyr n ASN 148 N 2.29 3.34 0.19 2.55 2.85 0.12 -4.87 115.26 121.73 3gyr n ASN 148 Ca 0.16 0.44 0.04 0.00 -0.11 0.00 0.00 54.58 55.11 3gyr n ASN 148 Cb 0.23 -1.50 0.37 0.00 1.24 0.00 0.00 39.78 40.12 3gyr n ASN 148 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3gyr h LYS 149 N 13.30 0.00 -0.43 1.20 1.57 -1.89 -2.53 116.57 127.80 3gyr h LYS 149 Ca -0.42 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.33 3gyr h LYS 149 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 3gyr h LYS 149 CO 0.96 0.38 0.14 -0.44 -0.57 0.00 0.00 179.45 179.93 3gyr h ASP 150 N 0.00 0.56 -0.19 0.86 3.45 -1.99 -1.70 116.42 117.42 3gyr h ASP 150 Ca -0.00 -0.07 -0.11 0.00 0.43 0.00 0.00 57.03 57.28 3gyr h ASP 150 Cb 0.74 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.36 3gyr h ASP 150 CO 0.05 0.53 -0.31 0.58 -1.57 0.00 0.00 179.24 178.53 3gyr h VAL 151 N 0.61 1.34 0.00 -1.35 2.07 -1.86 -3.13 116.25 113.93 3gyr h VAL 151 Ca 0.15 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 3gyr h VAL 151 Cb 0.17 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3gyr h VAL 151 CO -0.01 0.47 -0.06 0.00 0.02 0.00 0.00 177.57 177.99 3gyr h ALA 152 N 0.60 1.38 0.00 1.67 0.00 -1.19 -0.98 119.26 120.74 3gyr h ALA 152 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gyr h ALA 152 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3gyr h ALA 152 CO 0.07 0.07 -0.15 0.00 0.00 0.00 0.00 179.25 179.25 3gyr n ALA 153 N -2.29 2.64 -1.78 0.00 0.00 -0.67 -4.39 120.51 114.02 3gyr n ALA 153 Ca -0.02 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 3gyr n ALA 153 Cb 0.16 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 3gyr n ALA 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gyr s LEU 154 N -3.20 4.38 0.73 0.00 1.43 -0.38 -5.01 118.68 116.62 3gyr s LEU 154 Ca 0.13 2.77 -0.08 0.00 -1.03 0.00 0.00 54.13 55.91 3gyr s LEU 154 Cb 0.18 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.87 3gyr s LEU 154 CO 0.58 -0.94 1.06 -2.16 0.23 0.00 0.00 176.35 175.12 3gyr s PRO 155 N 1.56 2.21 -0.09 1.29 0.04 -1.26 -4.65 135.00 134.11 3gyr s PRO 155 Ca 0.75 -0.09 -0.30 0.00 0.04 0.00 0.00 61.00 61.40 3gyr s PRO 155 Cb -0.47 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 3gyr s PRO 155 CO 0.33 -1.30 1.43 0.00 0.04 0.00 0.00 177.00 177.49 3gyr s ALA 156 N -3.34 3.63 -0.27 8.56 0.00 -1.26 -4.94 121.76 124.13 3gyr s ALA 156 Ca 0.60 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 53.27 3gyr s ALA 156 Cb -0.11 -3.66 0.13 0.00 0.00 0.00 0.00 23.12 19.49 3gyr s ALA 156 CO 0.46 -1.19 0.30 -0.46 0.00 0.00 0.00 175.76 174.88 3gyr s TRP 157 N 3.43 -0.52 0.01 0.00 -0.00 -1.26 -4.21 118.94 116.38 3gyr s TRP 157 Ca 0.63 0.06 0.02 0.00 -0.00 0.00 0.00 56.10 56.81 3gyr s TRP 157 Cb -0.28 -0.36 -0.01 0.00 -0.00 0.00 0.00 33.47 32.82 3gyr s TRP 157 CO 0.23 -0.85 -0.05 0.45 -0.00 0.00 0.00 176.95 176.72 3gyr s SER 158 N 2.39 0.62 0.02 5.86 0.15 -0.79 -4.77 113.70 117.18 3gyr s SER 158 Ca 0.09 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.55 3gyr s SER 158 Cb -0.14 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.12 3gyr s SER 158 CO -0.27 -0.02 -0.10 0.54 1.20 0.00 0.00 173.24 174.59 3gyr s VAL 159 N -0.49 0.75 -0.12 4.45 0.11 -1.26 -1.29 120.40 122.56 3gyr s VAL 159 Ca -0.02 -0.70 -0.00 0.00 -2.93 0.00 0.00 61.98 58.32 3gyr s VAL 159 Cb -0.04 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.10 3gyr s VAL 159 CO -0.00 -0.00 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.77 3gyr s THR 160 N -0.66 3.31 -0.12 5.04 2.01 -1.26 -0.45 115.64 123.50 3gyr s THR 160 Ca -0.00 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.43 3gyr s THR 160 Cb -0.06 -2.38 0.00 0.00 0.01 0.00 0.00 72.50 70.07 3gyr s THR 160 CO 0.00 0.54 -0.21 -2.28 -0.69 0.00 0.00 174.62 171.98 3gyr s HIS 161 N 0.05 2.66 -0.80 4.92 5.04 -0.56 -3.98 115.29 122.62 3gyr s HIS 161 Ca -0.03 -1.09 -0.21 0.00 -1.54 0.00 0.00 55.06 52.19 3gyr s HIS 161 Cb -0.14 -1.79 0.10 0.00 0.04 0.00 0.00 32.58 30.79 3gyr s HIS 161 CO 0.04 -0.46 1.07 -1.17 -2.34 0.00 0.00 174.74 171.87 3gyr s LEU 162 N 0.56 4.64 0.02 8.88 2.96 -1.26 -2.56 118.68 131.91 3gyr s LEU 162 Ca -0.12 -1.49 -0.30 0.00 -0.22 0.00 0.00 54.13 51.99 3gyr s LEU 162 Cb -0.17 -2.42 -0.08 0.00 0.50 0.00 0.00 46.19 44.03 3gyr s LEU 162 CO 0.04 -1.28 1.78 -2.28 -1.32 0.00 0.00 176.35 173.29 3gyr s HIS 163 N 3.50 1.85 0.00 5.38 5.65 0.32 -1.60 115.29 130.39 3gyr s HIS 163 Ca 0.28 -0.02 0.00 0.00 0.25 0.00 0.00 55.06 55.57 3gyr s HIS 163 Cb -0.10 -4.06 0.00 0.00 -1.18 0.00 0.00 32.58 27.23 3gyr s HIS 163 CO 0.00 -4.53 0.00 0.41 -0.65 0.00 0.00 174.74 169.97 3gyr n GLY 164 N 4.25 2.96 3.74 1.59 0.00 -1.26 -2.92 105.19 113.55 3gyr n GLY 164 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3gyr n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyr n ALA 165 N -0.99 2.08 -2.56 4.61 0.00 -0.63 -4.82 120.51 118.21 3gyr n ALA 165 Ca 0.00 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 3gyr n ALA 165 Cb 0.00 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.02 3gyr n ALA 165 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3gyr s GLN 166 N -1.23 3.51 -0.13 0.00 0.74 -1.26 -4.15 119.66 117.14 3gyr s GLN 166 Ca 0.60 0.08 -0.32 0.00 0.05 0.00 0.00 55.36 55.77 3gyr s GLN 166 Cb -0.52 -3.92 0.13 0.00 1.10 0.00 0.00 33.01 29.80 3gyr s GLN 166 CO 0.56 -1.13 1.09 -0.08 -0.55 0.00 0.00 175.29 175.17 3gyr s THR 167 N 3.49 0.00 0.84 -0.34 -1.32 -1.26 -4.38 115.64 112.67 3gyr s THR 167 Ca 0.34 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.70 3gyr s THR 167 Cb -0.11 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 69.98 3gyr s THR 167 CO 0.24 0.00 1.17 -0.83 -2.21 0.00 0.00 174.62 172.98 3gyr s GLY 168 N -2.06 1.91 0.56 6.08 0.00 -1.26 -4.73 107.32 107.83 3gyr s GLY 168 Ca 0.06 0.68 0.25 0.00 0.00 0.00 0.00 44.72 45.71 3gyr s GLY 168 CO -0.05 1.09 2.09 -1.33 0.00 0.00 0.00 173.10 174.89 3gyr h GLY 169 N -1.31 0.00 2.00 0.20 0.00 -1.36 -1.08 103.07 101.52 3gyr h GLY 169 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3gyr h GLY 169 CO 0.45 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.66 3gyr h GLY 170 N 0.00 0.00 0.00 4.60 0.00 -1.87 -3.06 103.07 102.74 3gyr h GLY 170 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3gyr h GLY 170 CO -0.00 0.00 -1.41 0.70 0.00 0.00 0.00 176.54 175.83 3gyr n ASN 171 N -2.72 1.09 0.22 0.19 3.02 -0.47 -4.72 115.26 111.87 3gyr n ASN 171 Ca 0.01 -0.30 0.15 0.00 -0.03 0.00 0.00 54.58 54.42 3gyr n ASN 171 Cb 0.27 1.49 0.65 0.00 -0.61 0.00 0.00 39.78 41.58 3gyr n ASN 171 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3gyr h ASP 172 N 0.00 0.00 -1.24 6.41 -0.00 -1.29 -3.45 116.42 116.86 3gyr h ASP 172 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3gyr h ASP 172 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.95 3gyr h ASP 172 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.85 3gyr n GLY 173 N -0.12 0.58 3.68 -0.78 0.00 -1.26 -4.21 105.19 103.09 3gyr n GLY 173 Ca 0.01 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 3gyr n GLY 173 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3gyr n TRP 174 N -0.62 2.54 -0.30 1.61 -0.00 -1.26 -4.66 117.44 114.75 3gyr n TRP 174 Ca 0.00 -0.17 0.15 0.00 -0.00 0.00 0.00 57.50 57.48 3gyr n TRP 174 Cb 0.27 -2.73 0.32 0.00 -0.00 0.00 0.00 31.31 29.17 3gyr n TRP 174 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3gyr h ALA 175 N 9.00 1.42 -0.19 5.87 0.00 -1.95 0.72 119.26 134.13 3gyr h ALA 175 Ca -0.47 0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3gyr h ALA 175 Cb 1.23 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3gyr h ALA 175 CO 0.94 -0.45 0.13 -0.44 0.00 0.00 0.00 179.25 179.43 3gyr h ASP 176 N 0.28 0.18 -0.41 0.00 3.32 -1.90 -0.06 116.42 117.84 3gyr h ASP 176 Ca 0.58 -0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.38 3gyr h ASP 176 Cb 1.18 -0.04 -0.12 0.00 0.22 0.00 0.00 39.33 40.56 3gyr h ASP 176 CO -0.61 0.13 0.31 0.59 -1.72 0.00 0.00 179.24 177.94 3gyr n ASN 177 N -4.51 4.87 -4.75 6.45 5.03 0.25 -4.90 115.26 117.70 3gyr n ASN 177 Ca 0.00 -2.82 -0.33 0.00 0.87 0.00 0.00 54.58 52.31 3gyr n ASN 177 Cb 0.11 -0.86 0.08 0.00 -1.02 0.00 0.00 39.78 38.09 3gyr n ASN 177 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gyr s ALA 178 N -1.45 2.25 0.15 5.41 0.00 -1.25 -4.75 121.76 122.12 3gyr s ALA 178 Ca 0.25 0.58 0.08 0.00 0.00 0.00 0.00 51.96 52.87 3gyr s ALA 178 Cb 0.20 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 3gyr s ALA 178 CO 0.02 -1.66 -0.18 0.14 0.00 0.00 0.00 175.76 174.07 3gyr s VAL 179 N -2.39 1.77 0.48 0.00 -7.23 -0.41 -4.78 120.40 107.84 3gyr s VAL 179 Ca 0.68 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 59.03 3gyr s VAL 179 Cb -0.22 -1.78 0.09 0.00 0.56 0.00 0.00 36.38 35.03 3gyr s VAL 179 CO 0.47 -0.29 0.67 0.61 -0.31 0.00 0.00 175.10 176.24 3gyr n GLY 180 N 0.42 1.31 3.63 2.32 0.00 -1.26 -1.89 105.19 109.71 3gyr n GLY 180 Ca -0.14 -2.10 -0.58 0.00 0.00 0.00 0.00 46.02 43.19 3gyr n GLY 180 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3gyr n PHE 181 N -2.21 1.48 0.00 1.61 7.35 -1.26 -1.93 117.46 122.50 3gyr n PHE 181 Ca 0.12 0.82 0.00 0.00 -0.76 0.00 0.00 57.45 57.63 3gyr n PHE 181 Cb 0.44 -2.28 0.00 0.00 0.35 0.00 0.00 39.48 37.99 3gyr n PHE 181 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gyr n GLY 182 N 2.97 2.58 3.92 7.13 0.00 0.41 -5.01 105.19 117.19 3gyr n GLY 182 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 3gyr n GLY 182 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gyr s ASP 183 N -1.72 6.42 0.15 1.61 1.01 -0.81 -4.89 116.67 118.44 3gyr s ASP 183 Ca 0.00 0.47 0.09 0.00 0.71 0.00 0.00 52.55 53.82 3gyr s ASP 183 Cb 0.00 -2.04 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 3gyr s ASP 183 CO 0.00 -0.01 -0.13 0.00 0.21 0.00 0.00 175.17 175.24 3gyr s ALA 184 N -1.80 2.85 -0.20 5.23 0.00 -1.26 -1.74 121.76 124.84 3gyr s ALA 184 Ca 0.39 -1.40 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 3gyr s ALA 184 Cb -0.11 -0.72 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 3gyr s ALA 184 CO 0.28 0.54 0.10 -1.14 0.00 0.00 0.00 175.76 175.54 3gyr s GLN 185 N -2.50 4.10 -0.17 0.00 0.74 0.14 -4.96 119.66 117.02 3gyr s GLN 185 Ca 0.22 -0.27 -0.06 0.00 0.05 0.00 0.00 55.36 55.30 3gyr s GLN 185 Cb -0.10 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 3gyr s GLN 185 CO 0.13 0.27 0.03 -0.51 -0.55 0.00 0.00 175.29 174.66 3gyr s LEU 186 N 0.41 3.63 -0.08 3.68 1.43 -1.26 -0.74 118.68 125.75 3gyr s LEU 186 Ca 0.06 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 3gyr s LEU 186 Cb -0.12 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.21 3gyr s LEU 186 CO -0.01 0.18 -0.13 -0.44 0.23 0.00 0.00 176.35 176.18 3gyr s SER 187 N 0.35 2.00 -0.06 2.29 0.01 -0.34 -4.72 113.70 113.23 3gyr s SER 187 Ca 0.01 -0.33 -0.15 0.00 1.31 0.00 0.00 55.95 56.78 3gyr s SER 187 Cb -0.13 -0.90 -0.05 0.00 0.21 0.00 0.00 66.02 65.15 3gyr s SER 187 CO 0.01 0.02 0.39 -0.70 0.41 0.00 0.00 173.24 173.37 3gyr s GLU 188 N 0.83 4.05 -0.31 12.44 2.12 -1.26 -1.47 118.70 135.10 3gyr s GLU 188 Ca -0.11 0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.57 3gyr s GLU 188 Cb -0.15 -3.31 0.09 0.00 0.26 0.00 0.00 34.13 31.02 3gyr s GLU 188 CO 0.02 0.49 0.02 0.71 -0.54 0.00 0.00 175.26 175.96 3gyr s TYR 189 N -0.40 3.16 0.54 5.30 2.02 0.11 -4.77 117.35 123.31 3gyr s TYR 189 Ca 0.22 -2.53 0.26 0.00 -0.37 0.00 0.00 57.07 54.65 3gyr s TYR 189 Cb -0.15 -2.41 1.63 0.00 -0.40 0.00 0.00 41.96 40.63 3gyr s TYR 189 CO 0.10 -0.91 2.20 -1.35 -1.57 0.00 0.00 175.55 174.02 3gyr h PRO 190 N 7.76 0.00 -3.80 -1.71 0.11 -1.82 -2.22 132.00 130.32 3gyr h PRO 190 Ca -0.09 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.61 3gyr h PRO 190 Cb 1.03 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.15 3gyr h PRO 190 CO 0.49 0.03 -0.56 0.09 -0.21 0.00 0.00 178.00 177.84 3gyr n ASN 191 N -3.96 -5.84 -3.72 -2.05 5.03 -1.26 -4.02 115.26 99.43 3gyr n ASN 191 Ca -0.03 -0.14 -0.42 0.00 0.87 0.00 0.00 54.58 54.86 3gyr n ASN 191 Cb 0.12 -4.80 -0.00 0.00 -1.02 0.00 0.00 39.78 34.08 3gyr n ASN 191 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3gyr n ASP 192 N -2.24 5.39 -3.76 6.41 4.64 -1.26 -0.57 116.55 125.16 3gyr n ASP 192 Ca -0.17 -2.98 -0.13 0.00 -1.38 0.00 0.00 54.79 50.12 3gyr n ASP 192 Cb 0.65 -1.53 -0.09 0.00 -1.04 0.00 0.00 41.12 39.12 3gyr n ASP 192 CO 0.00 0.00 0.00 -2.28 -0.82 0.00 0.00 177.20 174.10 3gyr s HIS 193 N 1.23 -0.20 0.74 -0.67 2.46 -1.26 -4.99 115.29 112.59 3gyr s HIS 193 Ca 0.46 0.32 -0.15 0.00 0.47 0.00 0.00 55.06 56.16 3gyr s HIS 193 Cb 0.13 0.10 0.04 0.00 -0.13 0.00 0.00 32.58 32.72 3gyr s HIS 193 CO -0.04 -0.38 1.22 0.00 -2.47 0.00 0.00 174.74 173.07 3gyr n GLN 194 N 1.38 0.56 -1.55 2.88 10.64 -1.26 -4.66 117.38 125.37 3gyr n GLN 194 Ca -0.21 0.26 -0.54 0.00 -1.83 0.00 0.00 57.00 54.68 3gyr n GLN 194 Cb 0.56 -2.46 -0.06 0.00 -0.86 0.00 0.00 30.24 27.41 3gyr n GLN 194 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3gyr n ALA 195 N -2.71 -1.92 -3.90 2.61 0.00 -1.26 -4.88 120.51 108.45 3gyr n ALA 195 Ca 0.14 0.54 -0.01 0.00 0.00 0.00 0.00 53.44 54.11 3gyr n ALA 195 Cb 0.49 -1.95 0.01 0.00 0.00 0.00 0.00 19.45 18.01 3gyr n ALA 195 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3gyr s THR 196 N 0.21 0.00 -0.31 0.00 -1.32 -0.79 -4.21 115.64 109.22 3gyr s THR 196 Ca 0.85 -0.46 -0.08 0.00 -1.21 0.00 0.00 61.69 60.79 3gyr s THR 196 Cb -1.05 -2.85 0.01 0.00 -1.51 0.00 0.00 72.50 67.10 3gyr s THR 196 CO 0.51 0.00 0.11 -1.58 -2.21 0.00 0.00 174.62 171.45 3gyr s GLN 197 N -2.17 3.09 0.46 7.08 0.74 -1.26 -1.11 119.66 126.49 3gyr s GLN 197 Ca 0.23 -0.87 0.08 0.00 0.05 0.00 0.00 55.36 54.86 3gyr s GLN 197 Cb -0.02 -3.47 0.03 0.00 1.10 0.00 0.00 33.01 30.66 3gyr s GLN 197 CO 0.03 -0.48 0.63 -1.58 -0.55 0.00 0.00 175.29 173.34 3gyr s TRP 198 N 1.53 2.44 0.13 1.67 0.51 0.16 -4.84 118.94 120.54 3gyr s TRP 198 Ca 0.03 -0.48 -0.10 0.00 -2.12 0.00 0.00 56.10 53.43 3gyr s TRP 198 Cb -0.18 -2.34 -0.00 0.00 -0.81 0.00 0.00 33.47 30.15 3gyr s TRP 198 CO 0.04 -0.61 0.26 1.67 -0.51 0.00 0.00 176.95 177.79 3gyr s TRP 199 N -2.43 0.23 0.02 -1.98 1.48 -1.15 -0.87 118.94 114.24 3gyr s TRP 199 Ca 0.57 -0.62 0.04 0.00 -1.06 0.00 0.00 56.10 55.03 3gyr s TRP 199 Cb -0.09 -0.02 -0.02 0.00 -1.16 0.00 0.00 33.47 32.18 3gyr s TRP 199 CO 0.35 -0.65 -0.12 1.52 -4.06 0.00 0.00 176.95 173.99 3gyr s TYR 200 N -3.91 1.07 0.27 1.66 -0.85 0.93 0.12 117.35 116.64 3gyr s TYR 200 Ca 0.11 -0.29 -0.17 0.00 -0.52 0.00 0.00 57.07 56.20 3gyr s TYR 200 Cb 0.04 -0.66 0.01 0.00 0.38 0.00 0.00 41.96 41.73 3gyr s TYR 200 CO -0.06 0.00 0.62 -3.38 -1.52 0.00 0.00 175.55 171.21 3gyr s HIS 201 N -0.64 0.09 0.57 -3.49 -3.43 -1.06 -0.40 115.29 106.93 3gyr s HIS 201 Ca 0.02 -0.52 -0.19 0.00 -0.80 0.00 0.00 55.06 53.58 3gyr s HIS 201 Cb -0.06 0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 31.52 3gyr s HIS 201 CO 0.00 -1.15 1.14 0.34 -2.00 0.00 0.00 174.74 173.08 3gyr s ASP 202 N -2.98 5.50 -0.00 7.38 -1.08 -0.99 -1.50 116.67 123.00 3gyr s ASP 202 Ca 0.17 2.20 0.12 0.00 -0.52 0.00 0.00 52.55 54.52 3gyr s ASP 202 Cb -0.04 -2.58 0.20 0.00 -1.46 0.00 0.00 42.92 39.04 3gyr s ASP 202 CO 0.08 -1.37 1.08 1.57 0.52 0.00 0.00 175.17 177.05 3gyr n HIS 203 N -1.53 0.00 -1.99 -5.34 -0.00 0.40 -4.74 115.22 102.02 3gyr n HIS 203 Ca 0.12 -0.24 -0.41 0.00 0.46 0.00 0.00 57.72 57.65 3gyr n HIS 203 Cb 0.51 -0.10 -0.02 0.00 -0.12 0.00 0.00 29.99 30.26 3gyr n HIS 203 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3gyr s ALA 204 N -0.03 3.59 -0.17 1.57 0.00 -1.26 -4.22 121.76 121.24 3gyr s ALA 204 Ca 0.16 1.37 -0.36 0.00 0.00 0.00 0.00 51.96 53.12 3gyr s ALA 204 Cb 0.18 -3.55 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 3gyr s ALA 204 CO -0.08 -0.78 1.86 -0.12 0.00 0.00 0.00 175.76 176.64 3gyr n MET 205 N 1.57 1.78 0.00 0.00 1.56 -0.04 -2.27 117.12 119.72 3gyr n MET 205 Ca 0.04 0.65 0.00 0.00 -0.27 0.00 0.00 57.70 58.11 3gyr n MET 205 Cb 0.40 -2.46 0.00 0.00 2.15 0.00 0.00 33.22 33.31 3gyr n MET 205 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3gyr n ASN 206 N 6.45 0.00 -0.26 6.12 3.02 -1.26 -4.72 115.26 124.62 3gyr n ASN 206 Ca 0.25 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.84 3gyr n ASN 206 Cb 0.24 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.47 3gyr n ASN 206 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3gyr n ILE 207 N -2.00 0.90 0.20 2.41 -5.35 -1.02 -4.76 119.36 109.75 3gyr n ILE 207 Ca 0.00 -1.07 0.06 0.00 -0.27 0.00 0.00 62.75 61.46 3gyr n ILE 207 Cb 0.00 0.19 0.52 0.00 -1.74 0.00 0.00 39.64 38.61 3gyr n ILE 207 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3gyr h THR 208 N 3.29 1.10 0.00 7.28 2.02 -1.74 -1.03 112.91 123.83 3gyr h THR 208 Ca 0.00 -0.44 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 3gyr h THR 208 Cb 1.15 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 3gyr h THR 208 CO 0.00 0.13 -0.39 0.08 0.37 0.00 0.00 175.52 175.71 3gyr h ARG 209 N 0.07 0.00 0.07 6.66 0.11 -1.85 -1.57 114.38 117.86 3gyr h ARG 209 Ca 0.02 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.86 3gyr h ARG 209 Cb 0.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 3gyr h ARG 209 CO 0.01 0.39 -1.23 -1.49 0.10 0.00 0.00 179.97 177.76 3gyr h TRP 210 N 0.00 0.27 -0.71 4.08 6.55 -1.84 -3.32 115.95 120.98 3gyr h TRP 210 Ca -0.00 -0.20 -0.02 0.00 0.95 0.00 0.00 58.89 59.62 3gyr h TRP 210 Cb 0.75 -0.01 -0.03 0.00 -0.86 0.00 0.00 29.16 29.00 3gyr h TRP 210 CO 0.00 1.48 0.36 -0.91 -1.05 0.00 0.00 178.44 178.33 3gyr h ASN 211 N -0.56 0.91 0.01 -3.49 2.35 -1.06 0.67 115.58 114.41 3gyr h ASN 211 Ca -0.29 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3gyr h ASN 211 Cb 1.56 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.69 3gyr h ASN 211 CO -0.02 0.77 -0.00 0.58 -1.65 0.00 0.00 177.43 177.11 3gyr h VAL 212 N 0.99 1.13 -0.13 2.81 2.07 -1.52 -2.84 116.25 118.76 3gyr h VAL 212 Ca 0.25 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3gyr h VAL 212 Cb 0.08 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3gyr h VAL 212 CO -0.04 0.11 0.11 -0.03 0.02 0.00 0.00 177.57 177.74 3gyr h MET 213 N -0.18 0.00 0.00 1.57 1.85 -1.49 0.10 114.93 116.78 3gyr h MET 213 Ca -0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3gyr h MET 213 Cb 0.18 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.21 3gyr h MET 213 CO 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 176.51 3gyr n ALA 214 N -2.45 1.53 0.00 0.39 0.00 0.17 -4.85 120.51 115.30 3gyr n ALA 214 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3gyr n ALA 214 Cb 0.23 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3gyr n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gyr n GLY 215 N -0.29 0.77 3.00 0.00 0.00 0.34 -0.61 105.19 108.40 3gyr n GLY 215 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3gyr n GLY 215 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gyr n LEU 216 N 0.00 6.29 -3.79 0.99 4.77 -1.09 -4.55 117.00 119.62 3gyr n LEU 216 Ca 0.00 -4.32 -0.12 0.00 -0.03 0.00 0.00 56.01 51.54 3gyr n LEU 216 Cb 0.00 -1.61 -0.08 0.00 -2.33 0.00 0.00 43.42 39.40 3gyr n LEU 216 CO 0.00 1.00 -0.02 -0.72 -1.33 0.00 0.00 177.39 176.32 3gyr s TYR 217 N 2.20 -0.09 0.27 -1.77 -0.85 -1.26 -2.35 117.35 113.50 3gyr s TYR 217 Ca 0.45 0.03 -0.20 0.00 -0.52 0.00 0.00 57.07 56.83 3gyr s TYR 217 Cb 0.09 0.05 0.06 0.00 0.38 0.00 0.00 41.96 42.54 3gyr s TYR 217 CO -0.02 -0.42 0.88 0.20 -1.52 0.00 0.00 175.55 174.68 3gyr s GLY 218 N -1.70 0.12 0.35 5.49 0.00 0.46 -0.06 107.32 111.99 3gyr s GLY 218 Ca -0.10 -0.41 0.09 0.00 0.00 0.00 0.00 44.72 44.30 3gyr s GLY 218 CO 0.00 0.60 0.01 -1.59 0.00 0.00 0.00 173.10 172.13 3gyr s THR 219 N -2.66 2.54 -0.23 0.90 2.01 -1.26 -0.05 115.64 116.89 3gyr s THR 219 Ca 0.16 -1.98 -0.04 0.00 0.31 0.00 0.00 61.69 60.14 3gyr s THR 219 Cb -0.04 -2.80 0.12 0.00 0.01 0.00 0.00 72.50 69.79 3gyr s THR 219 CO 0.07 -0.18 0.41 -0.47 -0.69 0.00 0.00 174.62 173.76 3gyr s TYR 220 N -2.54 -0.86 -0.20 4.92 6.14 -0.05 -1.73 117.35 123.03 3gyr s TYR 220 Ca 0.35 1.19 -0.06 0.00 0.64 0.00 0.00 57.07 59.19 3gyr s TYR 220 Cb 0.01 0.18 -0.03 0.00 0.42 0.00 0.00 41.96 42.53 3gyr s TYR 220 CO 0.19 -0.62 0.03 -0.51 0.64 0.00 0.00 175.55 175.28 3gyr s LEU 221 N 2.59 3.48 -0.14 6.97 1.43 0.00 0.37 118.68 133.38 3gyr s LEU 221 Ca 0.07 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.97 3gyr s LEU 221 Cb -0.14 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 3gyr s LEU 221 CO -0.15 0.09 0.18 -0.69 0.23 0.00 0.00 176.35 176.01 3gyr s VAL 222 N 0.87 5.41 0.11 -1.59 1.01 -0.27 -1.92 120.40 124.03 3gyr s VAL 222 Ca 0.02 0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.39 3gyr s VAL 222 Cb -0.14 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3gyr s VAL 222 CO 0.02 0.54 -0.15 -0.13 0.00 0.00 0.00 175.10 175.37 3gyr s ARG 223 N -0.46 1.89 0.26 2.72 1.81 -0.49 -1.88 118.95 122.80 3gyr s ARG 223 Ca 0.14 -1.14 -0.13 0.00 -1.72 0.00 0.00 55.73 52.88 3gyr s ARG 223 Cb -0.12 -2.17 0.00 0.00 -0.45 0.00 0.00 34.95 32.21 3gyr s ARG 223 CO 0.03 0.49 0.52 0.16 -0.68 0.00 0.00 175.30 175.81 3gyr s ASP 224 N -2.18 -0.05 0.47 0.23 1.47 -1.26 0.26 116.67 115.60 3gyr s ASP 224 Ca 0.19 -0.93 0.16 0.00 1.18 0.00 0.00 52.55 53.15 3gyr s ASP 224 Cb -0.11 0.62 1.10 0.00 -0.34 0.00 0.00 42.92 44.19 3gyr s ASP 224 CO 0.11 -1.19 2.02 0.44 0.68 0.00 0.00 175.17 177.24 3gyr h ASP 225 N 2.21 0.00 -0.07 2.11 3.45 -1.99 -1.93 116.42 120.20 3gyr h ASP 225 Ca -0.26 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.12 3gyr h ASP 225 Cb 1.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 3gyr h ASP 225 CO 0.34 0.15 -0.27 -0.08 -1.57 0.00 0.00 179.24 177.81 3gyr h GLU 226 N 0.00 0.31 -0.75 3.56 4.81 -1.99 -2.33 114.58 118.18 3gyr h GLU 226 Ca -0.00 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 3gyr h GLU 226 Cb 0.28 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3gyr h GLU 226 CO 0.02 0.88 0.24 1.49 -0.73 0.00 0.00 179.01 180.91 3gyr h GLU 227 N -0.20 1.15 -0.84 1.92 4.81 -1.92 -2.31 114.58 117.18 3gyr h GLU 227 Ca -0.02 -0.24 0.05 0.00 -0.13 0.00 0.00 59.36 59.03 3gyr h GLU 227 Cb 0.92 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.07 3gyr h GLU 227 CO 0.06 0.97 0.53 -0.44 -0.73 0.00 0.00 179.01 179.39 3gyr h ASP 228 N 1.10 0.84 0.16 1.04 3.32 -1.31 -2.05 116.42 119.53 3gyr h ASP 228 Ca 0.24 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3gyr h ASP 228 Cb 0.29 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3gyr h ASP 228 CO -0.01 0.55 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 3gyr n ALA 229 N -2.35 1.22 0.95 3.45 0.00 -0.87 -0.87 120.51 122.04 3gyr n ALA 229 Ca 0.12 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.67 3gyr n ALA 229 Cb 0.15 -1.08 0.45 0.00 0.00 0.00 0.00 19.45 18.97 3gyr n ALA 229 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gyr n LEU 230 N -1.49 0.27 -3.92 0.00 4.77 -0.77 -4.96 117.00 110.90 3gyr n LEU 230 Ca 0.01 0.31 -0.25 0.00 -0.03 0.00 0.00 56.01 56.05 3gyr n LEU 230 Cb 0.05 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 3gyr n LEU 230 CO 0.04 0.03 -0.17 0.61 -1.33 0.00 0.00 177.39 176.57 3gyr n GLY 231 N 1.48 -0.26 3.79 -0.72 0.00 -0.05 -4.94 105.19 104.48 3gyr n GLY 231 Ca 0.06 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3gyr n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gyr s LEU 232 N -6.94 3.53 0.25 0.99 1.43 -1.26 -4.96 118.68 111.73 3gyr s LEU 232 Ca 0.08 1.95 -0.30 0.00 -1.03 0.00 0.00 54.13 54.84 3gyr s LEU 232 Cb -0.04 -4.55 -0.14 0.00 0.03 0.00 0.00 46.19 41.48 3gyr s LEU 232 CO 0.87 -1.31 1.11 -2.65 0.23 0.00 0.00 176.35 174.60 3gyr n PRO 233 N -1.94 1.40 -1.87 1.29 -0.02 -1.26 -4.96 135.00 127.63 3gyr n PRO 233 Ca 0.10 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3gyr n PRO 233 Cb 0.52 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3gyr n PRO 233 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gyr n SER 234 N 1.54 0.12 0.00 2.55 3.41 -1.26 -4.34 113.62 115.64 3gyr n SER 234 Ca 0.11 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 3gyr n SER 234 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3gyr n SER 234 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gyr n GLY 235 N 0.31 3.56 0.39 5.00 0.00 -1.26 0.11 105.19 113.31 3gyr n GLY 235 Ca 0.00 0.13 0.21 0.00 0.00 0.00 0.00 46.02 46.35 3gyr n GLY 235 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gyr h ASP 236 N 0.00 0.00 0.04 1.61 3.32 -2.02 -2.63 116.42 116.74 3gyr h ASP 236 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gyr h ASP 236 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3gyr h ASP 236 CO 0.00 0.00 -0.23 0.54 -1.72 0.00 0.00 179.24 177.83 3gyr n ARG 237 N -3.65 1.47 -3.70 3.56 5.12 0.12 -4.74 116.66 114.85 3gyr n ARG 237 Ca 0.08 -1.10 -0.38 0.00 -1.93 0.00 0.00 57.85 54.52 3gyr n ARG 237 Cb 0.67 -1.48 -0.12 0.00 -1.16 0.00 0.00 32.46 30.37 3gyr n ARG 237 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3gyr s GLU 238 N -2.29 3.36 -0.19 5.56 2.12 -0.99 -0.04 118.70 126.23 3gyr s GLU 238 Ca 0.25 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.91 3gyr s GLU 238 Cb 0.19 -3.47 0.03 0.00 0.26 0.00 0.00 34.13 31.14 3gyr s GLU 238 CO 0.45 -0.37 -0.18 0.42 -0.54 0.00 0.00 175.26 175.05 3gyr s ILE 239 N 1.59 2.00 0.28 -3.70 1.01 0.47 -4.77 121.20 118.08 3gyr s ILE 239 Ca 0.05 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 3gyr s ILE 239 Cb -0.17 -1.86 -0.10 0.00 0.01 0.00 0.00 42.46 40.34 3gyr s ILE 239 CO 0.05 0.45 1.26 -2.84 0.00 0.00 0.00 174.94 173.86 3gyr s PRO 240 N 1.29 4.43 -0.29 2.79 0.02 -1.26 -1.60 135.00 140.38 3gyr s PRO 240 Ca 0.03 2.08 -0.01 0.00 0.02 0.00 0.00 61.00 63.12 3gyr s PRO 240 Cb -0.14 -3.14 0.09 0.00 0.02 0.00 0.00 34.50 31.34 3gyr s PRO 240 CO -0.12 -0.12 0.07 -0.51 -0.33 0.00 0.00 177.00 176.00 3gyr s LEU 241 N -1.19 2.22 -0.44 -5.54 1.43 -0.51 -4.87 118.68 109.79 3gyr s LEU 241 Ca 0.50 -1.50 -0.18 0.00 -1.03 0.00 0.00 54.13 51.93 3gyr s LEU 241 Cb -0.37 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.00 3gyr s LEU 241 CO 0.46 -0.38 0.47 -0.76 0.23 0.00 0.00 176.35 176.37 3gyr s LEU 242 N 1.60 4.94 -0.01 1.79 1.02 -1.26 -1.30 118.68 125.47 3gyr s LEU 242 Ca 0.07 -0.76 -0.01 0.00 0.02 0.00 0.00 54.13 53.44 3gyr s LEU 242 Cb -0.17 -2.39 -0.04 0.00 0.02 0.00 0.00 46.19 43.61 3gyr s LEU 242 CO -0.20 -0.65 0.12 0.27 0.02 0.00 0.00 176.35 175.91 3gyr s ILE 243 N 2.20 5.00 -0.25 -0.59 -4.36 -0.32 -1.38 121.20 121.50 3gyr s ILE 243 Ca 0.12 -0.31 -0.12 0.00 -0.26 0.00 0.00 60.65 60.08 3gyr s ILE 243 Cb -0.18 -3.31 0.09 0.00 1.25 0.00 0.00 42.46 40.31 3gyr s ILE 243 CO 0.13 0.34 0.58 0.00 0.24 0.00 0.00 174.94 176.23 3gyr s ALA 244 N -1.25 -1.62 0.67 2.27 0.00 -0.27 0.23 121.76 121.79 3gyr s ALA 244 Ca 0.25 2.08 -0.13 0.00 0.00 0.00 0.00 51.96 54.16 3gyr s ALA 244 Cb -0.12 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.64 3gyr s ALA 244 CO 0.16 -0.50 1.07 0.16 0.00 0.00 0.00 175.76 176.65 3gyr s ASP 245 N 1.94 5.28 0.01 0.00 -4.77 -1.26 -0.83 116.67 117.05 3gyr s ASP 245 Ca -0.08 1.79 -0.07 0.00 -3.30 0.00 0.00 52.55 50.88 3gyr s ASP 245 Cb -0.08 -2.52 -0.00 0.00 -1.09 0.00 0.00 42.92 39.23 3gyr s ASP 245 CO -0.17 -1.51 0.14 -0.13 0.70 0.00 0.00 175.17 174.20 3gyr s ARG 246 N -4.54 0.52 0.32 2.11 1.81 0.12 -4.84 118.95 114.44 3gyr s ARG 246 Ca 0.62 -0.48 0.10 0.00 -1.72 0.00 0.00 55.73 54.25 3gyr s ARG 246 Cb -0.16 0.21 -0.05 0.00 -0.45 0.00 0.00 34.95 34.50 3gyr s ARG 246 CO 0.47 -0.13 -0.05 1.21 -0.68 0.00 0.00 175.30 176.12 3gyr s ASN 247 N -1.57 4.05 0.05 0.23 3.84 -1.25 -1.97 114.94 118.31 3gyr s ASN 247 Ca -0.12 -0.98 0.04 0.00 0.21 0.00 0.00 52.86 52.00 3gyr s ASN 247 Cb -0.06 -0.50 -0.02 0.00 -0.55 0.00 0.00 41.25 40.11 3gyr s ASN 247 CO 0.00 -0.14 -0.11 -0.76 -2.79 0.00 0.00 177.10 173.30 3gyr s LEU 248 N -3.65 2.23 0.65 3.21 1.43 -1.26 -1.36 118.68 119.93 3gyr s LEU 248 Ca 0.33 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.81 3gyr s LEU 248 Cb -0.02 -0.36 0.00 0.00 0.03 0.00 0.00 46.19 45.85 3gyr s LEU 248 CO 0.18 -0.10 1.02 -0.62 0.23 0.00 0.00 176.35 177.06 3gyr s ASP 249 N -1.46 5.65 0.19 2.29 -1.08 0.03 -1.12 116.67 121.17 3gyr s ASP 249 Ca -0.05 1.06 0.07 0.00 -0.52 0.00 0.00 52.55 53.12 3gyr s ASP 249 Cb -0.09 -1.98 -0.05 0.00 -1.46 0.00 0.00 42.92 39.35 3gyr s ASP 249 CO 0.01 -1.16 -0.13 0.42 0.52 0.00 0.00 175.17 174.83 3gyr s THR 250 N -3.21 1.61 0.84 1.71 -4.23 -1.26 -0.97 115.64 110.12 3gyr s THR 250 Ca 0.56 -2.18 -0.13 0.00 -1.18 0.00 0.00 61.69 58.77 3gyr s THR 250 Cb -0.11 -2.01 0.10 0.00 1.34 0.00 0.00 72.50 71.82 3gyr s THR 250 CO 0.50 -0.62 1.20 -1.81 -0.54 0.00 0.00 174.62 173.35 3gyr s ASP 251 N -3.29 4.23 0.51 3.99 1.01 0.44 -4.86 116.67 118.70 3gyr s ASP 251 Ca 0.21 0.66 0.24 0.00 0.71 0.00 0.00 52.55 54.37 3gyr s ASP 251 Cb 0.00 -1.06 1.33 0.00 1.01 0.00 0.00 42.92 44.20 3gyr s ASP 251 CO 0.06 -2.06 1.95 -0.33 0.21 0.00 0.00 175.17 174.99 3gyr h GLU 252 N -1.16 0.10 -0.08 8.23 5.08 -2.02 0.32 114.58 125.05 3gyr h GLU 252 Ca -0.46 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3gyr h GLU 252 Cb 1.31 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3gyr h GLU 252 CO 0.60 0.07 0.00 -0.40 -1.00 0.00 0.00 179.01 178.27 3gyr n ASP 253 N -4.38 1.58 0.00 1.42 5.75 -1.26 -4.94 116.55 114.73 3gyr n ASP 253 Ca 0.13 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 3gyr n ASP 253 Cb 0.67 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 3gyr n ASP 253 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gyr n GLY 254 N 1.16 0.74 3.77 6.12 0.00 0.11 -5.07 105.19 112.02 3gyr n GLY 254 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3gyr n GLY 254 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 255 N -0.93 4.36 0.14 1.61 0.52 -1.26 -4.63 118.95 118.77 3gyr s ARG 255 Ca 0.00 2.19 -0.32 0.00 -0.52 0.00 0.00 55.73 57.09 3gyr s ARG 255 Cb 0.00 -3.07 -0.11 0.00 0.52 0.00 0.00 34.95 32.29 3gyr s ARG 255 CO 0.00 -0.17 1.79 1.28 0.02 0.00 0.00 175.30 178.22 3gyr n LEU 256 N 0.80 3.91 -0.48 2.53 4.77 -1.26 -0.42 117.00 126.85 3gyr n LEU 256 Ca -0.00 1.01 0.06 0.00 -0.03 0.00 0.00 56.01 57.05 3gyr n LEU 256 Cb 0.42 -1.53 0.07 0.00 -2.33 0.00 0.00 43.42 40.05 3gyr n LEU 256 CO 0.59 0.12 0.47 -0.46 -1.33 0.00 0.00 177.39 176.78 3gyr n ASN 257 N 5.07 2.15 0.00 -1.43 0.23 -0.14 -4.80 115.26 116.34 3gyr n ASN 257 Ca 0.18 -1.58 0.00 0.00 -0.53 0.00 0.00 54.58 52.64 3gyr n ASN 257 Cb 0.35 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 3gyr n ASN 257 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gyr n GLY 258 N 0.59 1.22 3.71 4.83 0.00 -1.26 -4.69 105.19 109.59 3gyr n GLY 258 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3gyr n GLY 258 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 259 N -0.57 4.48 0.16 1.61 0.52 -1.26 -4.59 118.95 119.29 3gyr s ARG 259 Ca 0.00 1.64 -0.31 0.00 -0.52 0.00 0.00 55.73 56.53 3gyr s ARG 259 Cb 0.00 -3.40 -0.11 0.00 0.52 0.00 0.00 34.95 31.96 3gyr s ARG 259 CO 0.00 -0.19 1.81 1.28 0.02 0.00 0.00 175.30 178.22 3gyr n LEU 260 N 3.97 4.08 -3.93 2.53 4.77 -1.26 -0.79 117.00 126.37 3gyr n LEU 260 Ca 0.08 1.01 -0.30 0.00 -0.03 0.00 0.00 56.01 56.77 3gyr n LEU 260 Cb 0.48 -1.56 -0.16 0.00 -2.33 0.00 0.00 43.42 39.85 3gyr n LEU 260 CO 0.54 0.20 -0.43 -0.22 -1.33 0.00 0.00 177.39 176.15 3gyr s LEU 261 N 2.23 2.14 -0.60 2.23 2.96 -0.47 -0.21 118.68 126.97 3gyr s LEU 261 Ca 0.79 -0.93 -0.20 0.00 -0.22 0.00 0.00 54.13 53.57 3gyr s LEU 261 Cb -0.48 -1.09 0.09 0.00 0.50 0.00 0.00 46.19 45.21 3gyr s LEU 261 CO 0.35 -0.20 0.77 -2.28 -1.32 0.00 0.00 176.35 173.67 3gyr s HIS 262 N 1.49 2.91 -0.24 5.38 5.65 0.24 -3.82 115.29 126.89 3gyr s HIS 262 Ca -0.02 -0.78 0.01 0.00 0.25 0.00 0.00 55.06 54.51 3gyr s HIS 262 Cb -0.17 -4.04 0.04 0.00 -1.18 0.00 0.00 32.58 27.23 3gyr s HIS 262 CO -0.07 -1.36 -0.11 0.21 -0.65 0.00 0.00 174.74 172.76 3gyr s LYS 263 N 3.08 2.64 0.20 2.88 2.20 -1.26 -1.08 119.74 128.41 3gyr s LYS 263 Ca 0.15 -1.09 0.09 0.00 -0.36 0.00 0.00 55.97 54.76 3gyr s LYS 263 Cb -0.21 -2.87 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 3gyr s LYS 263 CO 0.08 -0.43 -0.09 0.95 -0.36 0.00 0.00 175.35 175.50 3gyr s THR 264 N 1.23 3.14 -0.16 3.43 -4.23 -0.53 -4.54 115.64 113.98 3gyr s THR 264 Ca -0.02 -1.78 -0.07 0.00 -1.18 0.00 0.00 61.69 58.63 3gyr s THR 264 Cb -0.17 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 3gyr s THR 264 CO -0.06 -0.18 0.10 -0.69 -0.54 0.00 0.00 174.62 173.24 3gyr s VAL 265 N -1.88 5.11 -0.25 2.29 1.01 -1.26 -0.82 120.40 124.61 3gyr s VAL 265 Ca 0.26 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 3gyr s VAL 265 Cb -0.08 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.03 3gyr s VAL 265 CO 0.16 0.51 0.91 -0.63 0.00 0.00 0.00 175.10 176.05 3gyr s ILE 266 N -0.15 4.76 -1.51 2.22 1.01 0.90 -1.20 121.20 127.24 3gyr s ILE 266 Ca 0.09 1.69 0.17 0.00 0.00 0.00 0.00 60.65 62.60 3gyr s ILE 266 Cb -0.12 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 3gyr s ILE 266 CO 0.01 -0.16 0.88 0.55 0.00 0.00 0.00 174.94 176.22 3gyr n VAL 267 N 5.35 0.00 -3.15 2.92 3.14 -0.24 -3.80 118.33 122.55 3gyr n VAL 267 Ca 0.08 -0.30 0.04 0.00 -2.96 0.00 0.00 64.34 61.19 3gyr n VAL 267 Cb 0.47 1.19 -0.00 0.00 -1.06 0.00 0.00 33.84 34.43 3gyr n VAL 267 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 3gyr s GLN 268 N -2.04 0.55 0.24 1.45 0.74 -1.18 -5.01 119.66 114.41 3gyr s GLN 268 Ca 0.14 0.75 -0.05 0.00 0.05 0.00 0.00 55.36 56.25 3gyr s GLN 268 Cb 0.14 0.39 0.36 0.00 1.10 0.00 0.00 33.01 35.00 3gyr s GLN 268 CO 0.45 -0.83 1.82 0.37 -0.55 0.00 0.00 175.29 176.55 3gyr h GLN 269 N 7.99 0.82 -2.50 1.67 5.75 -1.88 -1.26 115.11 125.70 3gyr h GLN 269 Ca -0.11 -0.05 -0.32 0.00 -0.15 0.00 0.00 58.65 58.02 3gyr h GLN 269 Cb 1.18 -0.18 -0.36 0.00 1.07 0.00 0.00 27.48 29.18 3gyr h GLN 269 CO 0.19 0.54 -0.62 0.45 -2.65 0.00 0.00 178.83 176.74 3gyr s SER 270 N -5.66 1.38 -0.02 -0.69 0.15 -1.26 -3.33 113.70 104.26 3gyr s SER 270 Ca -0.12 -0.23 -0.30 0.00 0.70 0.00 0.00 55.95 55.99 3gyr s SER 270 Cb 0.19 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 3gyr s SER 270 CO 0.78 -0.33 1.29 0.21 1.20 0.00 0.00 173.24 176.40 3gyr s ASN 271 N 2.33 6.96 0.65 5.45 2.47 -0.37 -4.90 114.94 127.53 3gyr s ASN 271 Ca 0.07 1.96 0.13 0.00 0.42 0.00 0.00 52.86 55.44 3gyr s ASN 271 Cb -0.16 -2.56 0.65 0.00 -1.45 0.00 0.00 41.25 37.73 3gyr s ASN 271 CO -0.13 -0.64 1.34 -0.65 -3.72 0.00 0.00 177.10 173.30 3gyr h PRO 272 N 7.59 0.00 0.00 0.43 0.11 -1.93 -2.99 132.00 135.21 3gyr h PRO 272 Ca -0.36 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.36 3gyr h PRO 272 Cb 1.17 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 3gyr h PRO 272 CO 0.89 0.00 -2.37 0.39 -0.21 0.00 0.00 178.00 176.70 3gyr n GLU 273 N -2.78 0.57 -2.92 1.05 1.02 -1.26 -4.99 120.64 111.32 3gyr n GLU 273 Ca 0.03 0.18 -0.19 0.00 -0.02 0.00 0.00 57.16 57.16 3gyr n GLU 273 Cb 0.89 -1.44 0.04 0.00 -0.02 0.00 0.00 31.44 30.91 3gyr n GLU 273 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3gyr s THR 274 N -2.47 2.62 0.43 2.62 -4.23 -1.13 -4.98 115.64 108.50 3gyr s THR 274 Ca -0.33 -0.91 0.15 0.00 -1.18 0.00 0.00 61.69 59.42 3gyr s THR 274 Cb 0.10 -2.71 0.34 0.00 1.34 0.00 0.00 72.50 71.58 3gyr s THR 274 CO 0.50 0.00 1.95 1.23 -0.54 0.00 0.00 174.62 177.77 3gyr h GLY 275 N 0.31 0.61 -2.28 3.99 0.00 -1.95 -3.37 103.07 100.38 3gyr h GLY 275 Ca -0.37 -0.17 -0.49 0.00 0.00 0.00 0.00 47.33 46.30 3gyr h GLY 275 CO 0.44 0.08 0.03 0.54 0.00 0.00 0.00 176.54 177.64 3gyr s LYS 276 N -5.38 3.56 0.55 4.80 1.02 -1.26 -4.05 119.74 118.98 3gyr s LYS 276 Ca -0.08 0.11 -0.20 0.00 0.02 0.00 0.00 55.97 55.83 3gyr s LYS 276 Cb 0.20 -2.45 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 3gyr s LYS 276 CO 0.76 -0.09 1.17 -1.25 -0.92 0.00 0.00 175.35 175.01 3gyr s PRO 277 N -4.48 3.24 -0.26 -1.68 0.04 -1.21 -1.24 135.00 129.41 3gyr s PRO 277 Ca 0.46 1.72 -0.00 0.00 0.04 0.00 0.00 61.00 63.22 3gyr s PRO 277 Cb -0.10 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.47 3gyr s PRO 277 CO 0.41 -0.96 -0.08 0.08 0.04 0.00 0.00 177.00 176.49 3gyr s VAL 278 N -1.68 2.61 0.27 -0.36 1.01 -0.48 -4.93 120.40 116.85 3gyr s VAL 278 Ca 0.74 -1.29 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3gyr s VAL 278 Cb -0.27 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3gyr s VAL 278 CO 0.30 0.09 0.20 -0.94 0.00 0.00 0.00 175.10 174.75 3gyr s SER 279 N 1.24 5.37 0.75 3.32 1.04 -1.26 -1.08 113.70 123.07 3gyr s SER 279 Ca -0.03 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 55.98 3gyr s SER 279 Cb -0.18 -1.24 0.10 0.00 0.10 0.00 0.00 66.02 64.80 3gyr s SER 279 CO -0.05 -0.11 1.05 0.27 0.98 0.00 0.00 173.24 175.38 3gyr s ILE 280 N -2.20 2.22 1.22 -1.02 -4.36 -0.34 -4.91 121.20 111.81 3gyr s ILE 280 Ca 0.35 -0.33 -0.17 0.00 -0.26 0.00 0.00 60.65 60.24 3gyr s ILE 280 Cb -0.07 -2.89 0.29 0.00 1.25 0.00 0.00 42.46 41.05 3gyr s ILE 280 CO 0.25 0.00 1.03 -2.84 0.24 0.00 0.00 174.94 173.62 3gyr s PRO 281 N -5.31 -1.36 -0.10 0.37 0.02 -1.26 -4.49 135.00 122.87 3gyr s PRO 281 Ca 0.64 0.34 -0.22 0.00 0.02 0.00 0.00 61.00 61.78 3gyr s PRO 281 Cb -0.08 -1.54 -0.04 0.00 0.02 0.00 0.00 34.50 32.86 3gyr s PRO 281 CO 0.46 -3.89 0.65 0.12 -0.33 0.00 0.00 177.00 174.01 3gyr s PHE 282 N -2.64 3.53 -0.00 6.54 5.36 -1.26 -4.70 117.98 124.81 3gyr s PHE 282 Ca 0.69 1.13 0.02 0.00 -0.96 0.00 0.00 56.93 57.81 3gyr s PHE 282 Cb -0.17 -2.76 -0.01 0.00 -0.34 0.00 0.00 43.02 39.74 3gyr s PHE 282 CO 0.59 0.05 -0.07 -0.06 -1.46 0.00 0.00 175.22 174.28 3gyr s PHE 283 N 0.97 0.65 0.10 10.12 0.08 -1.26 -3.97 117.98 124.67 3gyr s PHE 283 Ca 0.34 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.25 3gyr s PHE 283 Cb -0.17 -0.42 -0.04 0.00 -0.57 0.00 0.00 43.02 41.82 3gyr s PHE 283 CO 0.15 -0.01 -0.01 0.20 -0.10 0.00 0.00 175.22 175.45 3gyr s GLY 284 N -0.23 0.78 0.26 4.36 0.00 -1.26 -4.71 107.32 106.52 3gyr s GLY 284 Ca 0.02 -1.36 0.24 0.00 0.00 0.00 0.00 44.72 43.62 3gyr s GLY 284 CO -0.00 -1.39 1.42 -0.56 0.00 0.00 0.00 173.10 172.56 3gyr h PRO 285 N 2.97 0.00 -5.52 2.90 0.13 -1.66 -3.40 132.00 127.41 3gyr h PRO 285 Ca -0.35 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.14 3gyr h PRO 285 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 3gyr h PRO 285 CO 0.63 0.00 -0.48 0.71 -0.23 0.00 0.00 178.00 178.64 3gyr s TYR 286 N -3.22 3.54 -0.21 1.56 1.51 -0.83 -4.35 117.35 115.34 3gyr s TYR 286 Ca 0.05 0.47 -0.06 0.00 -1.01 0.00 0.00 57.07 56.52 3gyr s TYR 286 Cb 0.10 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 3gyr s TYR 286 CO 0.70 0.59 0.04 0.99 -1.11 0.00 0.00 175.55 176.75 3gyr s THR 287 N -0.56 4.27 -0.12 -0.71 2.01 -1.26 0.15 115.64 119.42 3gyr s THR 287 Ca 0.13 -0.20 -0.06 0.00 0.31 0.00 0.00 61.69 61.87 3gyr s THR 287 Cb -0.12 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3gyr s THR 287 CO 0.02 0.41 0.09 0.42 -0.69 0.00 0.00 174.62 174.87 3gyr s THR 288 N 1.01 5.10 -0.19 -0.82 -4.23 -0.01 -1.95 115.64 114.57 3gyr s THR 288 Ca 0.03 0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 3gyr s THR 288 Cb -0.14 -3.22 0.03 0.00 1.34 0.00 0.00 72.50 70.51 3gyr s THR 288 CO 0.02 0.59 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.85 3gyr s VAL 289 N -0.79 1.86 -1.47 2.29 1.01 0.09 -1.12 120.40 122.26 3gyr s VAL 289 Ca 0.13 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 3gyr s VAL 289 Cb -0.12 -1.78 0.04 0.00 0.00 0.00 0.00 36.38 34.52 3gyr s VAL 289 CO 0.03 0.37 0.59 0.59 0.00 0.00 0.00 175.10 176.68 3gyr n ASN 290 N 4.65 -1.54 -0.27 3.32 3.02 -0.48 -2.30 115.26 121.66 3gyr n ASN 290 Ca -0.18 -0.96 -0.03 0.00 -0.03 0.00 0.00 54.58 53.38 3gyr n ASN 290 Cb 0.48 -3.22 -0.01 0.00 -0.61 0.00 0.00 39.78 36.42 3gyr n ASN 290 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gyr n GLY 291 N -1.78 0.65 2.99 7.41 0.00 -1.26 -4.46 105.19 108.73 3gyr n GLY 291 Ca -0.19 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 3gyr n GLY 291 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 292 N -1.78 1.01 0.02 1.61 0.52 -0.97 -4.43 118.95 114.94 3gyr s ARG 292 Ca 0.00 -0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 54.62 3gyr s ARG 292 Cb 0.00 -0.94 -0.06 0.00 0.52 0.00 0.00 34.95 34.48 3gyr s ARG 292 CO 0.00 0.08 1.36 0.42 0.02 0.00 0.00 175.30 177.18 3gyr s ILE 293 N 0.33 3.71 -1.28 1.52 1.01 -0.18 -0.73 121.20 125.58 3gyr s ILE 293 Ca -0.05 1.14 -0.16 0.00 0.00 0.00 0.00 60.65 61.58 3gyr s ILE 293 Cb -0.10 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.64 3gyr s ILE 293 CO 0.01 0.02 0.57 0.79 0.00 0.00 0.00 174.94 176.33 3gyr n TRP 294 N 4.94 -1.63 -1.74 3.97 8.01 -0.82 -4.73 117.44 125.43 3gyr n TRP 294 Ca 0.12 0.46 -0.30 0.00 -1.31 0.00 0.00 57.50 56.48 3gyr n TRP 294 Cb 0.44 -3.30 0.08 0.00 -2.01 0.00 0.00 31.31 26.52 3gyr n TRP 294 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 3gyr s PRO 295 N -6.66 2.21 0.07 -0.99 0.04 -1.26 0.16 135.00 128.58 3gyr s PRO 295 Ca 0.29 0.42 0.06 0.00 0.04 0.00 0.00 61.00 61.80 3gyr s PRO 295 Cb -0.13 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3gyr s PRO 295 CO 0.91 -1.48 -0.08 1.52 0.04 0.00 0.00 177.00 177.91 3gyr s TYR 296 N -3.34 2.80 -0.09 0.56 -0.85 -0.59 -2.06 117.35 113.78 3gyr s TYR 296 Ca 0.60 -0.11 0.03 0.00 -0.52 0.00 0.00 57.07 57.07 3gyr s TYR 296 Cb -0.12 -1.49 0.00 0.00 0.38 0.00 0.00 41.96 40.73 3gyr s TYR 296 CO 0.52 0.41 -0.21 0.00 -1.52 0.00 0.00 175.55 174.75 3gyr s ALA 297 N -1.16 1.94 -0.17 9.51 0.00 0.15 0.29 121.76 132.32 3gyr s ALA 297 Ca 0.21 -0.84 -0.25 0.00 0.00 0.00 0.00 51.96 51.08 3gyr s ALA 297 Cb -0.11 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 3gyr s ALA 297 CO 0.12 0.22 0.82 -0.51 0.00 0.00 0.00 175.76 176.42 3gyr s ASP 298 N 0.46 6.93 0.14 0.00 1.01 -1.26 -0.67 116.67 123.28 3gyr s ASP 298 Ca -0.17 1.15 0.05 0.00 0.71 0.00 0.00 52.55 54.29 3gyr s ASP 298 Cb -0.17 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3gyr s ASP 298 CO 0.07 -0.40 -0.12 0.68 0.21 0.00 0.00 175.17 175.61 3gyr s VAL 299 N 2.18 1.24 0.58 -1.27 -7.23 -0.07 -4.93 120.40 110.90 3gyr s VAL 299 Ca 0.38 -1.94 -0.07 0.00 -1.81 0.00 0.00 61.98 58.53 3gyr s VAL 299 Cb -0.16 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 3gyr s VAL 299 CO 0.12 -0.63 0.91 -1.81 -0.31 0.00 0.00 175.10 173.38 3gyr s ASP 300 N -2.92 5.84 -1.47 4.85 1.01 -1.26 -0.07 116.67 122.65 3gyr s ASP 300 Ca 0.14 0.91 -0.09 0.00 0.71 0.00 0.00 52.55 54.21 3gyr s ASP 300 Cb -0.00 -1.98 -0.08 0.00 1.01 0.00 0.00 42.92 41.87 3gyr s ASP 300 CO 0.02 -0.94 2.76 -0.90 0.21 0.00 0.00 175.17 176.32 3gyr n ASP 301 N -2.56 7.74 -0.47 0.27 5.75 -0.77 -4.69 116.55 121.82 3gyr n ASP 301 Ca 0.04 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.28 3gyr n ASP 301 Cb 0.56 -1.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.18 3gyr n ASP 301 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gyr n GLY 302 N 3.65 4.48 3.76 6.12 0.00 -1.26 -3.78 105.19 118.17 3gyr n GLY 302 Ca 0.71 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 3gyr n GLY 302 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gyr s TRP 303 N -1.79 3.81 0.10 1.61 0.52 -1.26 -1.54 118.94 120.39 3gyr s TRP 303 Ca 0.00 1.52 0.07 0.00 0.02 0.00 0.00 56.10 57.71 3gyr s TRP 303 Cb 0.00 -2.77 -0.03 0.00 -1.15 0.00 0.00 33.47 29.52 3gyr s TRP 303 CO 0.00 0.40 -0.18 0.71 0.02 0.00 0.00 176.95 177.90 3gyr s TYR 304 N -0.60 1.58 -0.19 -1.98 1.51 -0.20 -4.85 117.35 112.61 3gyr s TYR 304 Ca 0.36 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.96 3gyr s TYR 304 Cb -0.21 -0.86 -0.00 0.00 -0.11 0.00 0.00 41.96 40.77 3gyr s TYR 304 CO 0.24 0.16 -0.11 0.50 -1.11 0.00 0.00 175.55 175.23 3gyr s ARG 305 N -1.95 3.26 -0.08 -0.62 3.52 0.94 -0.63 118.95 123.38 3gyr s ARG 305 Ca 0.04 -0.70 -0.01 0.00 -0.13 0.00 0.00 55.73 54.93 3gyr s ARG 305 Cb -0.09 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.47 3gyr s ARG 305 CO 0.04 -0.12 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.88 3gyr s LEU 306 N 1.20 3.49 -0.58 -0.88 1.43 0.61 -0.39 118.68 123.56 3gyr s LEU 306 Ca 0.02 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3gyr s LEU 306 Cb -0.14 -1.80 0.15 0.00 0.03 0.00 0.00 46.19 44.43 3gyr s LEU 306 CO -0.04 0.37 0.38 -0.13 0.23 0.00 0.00 176.35 177.16 3gyr s ARG 307 N -0.90 2.39 -0.27 1.70 1.81 -0.63 -0.89 118.95 122.16 3gyr s ARG 307 Ca 0.13 -2.49 -0.15 0.00 -1.72 0.00 0.00 55.73 51.51 3gyr s ARG 307 Cb -0.11 -3.63 -0.04 0.00 -0.45 0.00 0.00 34.95 30.72 3gyr s ARG 307 CO 0.02 -1.15 0.36 -1.17 -0.68 0.00 0.00 175.30 172.68 3gyr s LEU 308 N -0.02 4.04 -0.04 2.53 1.98 0.09 -1.42 118.68 125.84 3gyr s LEU 308 Ca 0.16 0.27 0.07 0.00 -2.89 0.00 0.00 54.13 51.74 3gyr s LEU 308 Cb -0.21 -2.40 -0.01 0.00 0.66 0.00 0.00 46.19 44.22 3gyr s LEU 308 CO -0.03 -0.17 -0.25 0.54 -1.89 0.00 0.00 176.35 174.55 3gyr s VAL 309 N 2.02 2.02 -0.52 1.68 0.11 -0.42 -0.52 120.40 124.77 3gyr s VAL 309 Ca 0.14 -1.07 -0.24 0.00 -2.93 0.00 0.00 61.98 57.88 3gyr s VAL 309 Cb -0.16 -1.69 0.04 0.00 -1.53 0.00 0.00 36.38 33.04 3gyr s VAL 309 CO 0.10 0.57 0.92 0.21 -3.33 0.00 0.00 175.10 173.57 3gyr s ASN 310 N -0.35 6.38 0.00 3.54 3.84 -1.20 -1.17 114.94 125.97 3gyr s ASN 310 Ca 0.02 -0.24 0.23 0.00 0.21 0.00 0.00 52.86 53.08 3gyr s ASN 310 Cb -0.12 -2.43 0.54 0.00 -0.55 0.00 0.00 41.25 38.69 3gyr s ASN 310 CO 0.02 -1.16 1.47 0.00 -2.79 0.00 0.00 177.10 174.64 3gyr n ALA 311 N 7.32 2.41 -1.34 1.71 0.00 0.13 -0.25 120.51 130.49 3gyr n ALA 311 Ca 0.03 -1.11 -0.37 0.00 0.00 0.00 0.00 53.44 51.98 3gyr n ALA 311 Cb 0.48 -0.92 0.06 0.00 0.00 0.00 0.00 19.45 19.07 3gyr n ALA 311 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gyr n SER 312 N 1.51 -1.02 -0.26 0.00 7.64 -1.19 -4.85 113.62 115.45 3gyr n SER 312 Ca 0.22 0.64 -0.05 0.00 1.01 0.00 0.00 58.87 60.68 3gyr n SER 312 Cb 0.60 -1.22 0.05 0.00 -1.01 0.00 0.00 64.21 62.64 3gyr n SER 312 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3gyr h ASN 313 N -0.16 0.87 0.00 6.43 4.21 -1.88 -3.44 115.58 121.61 3gyr h ASN 313 Ca -0.46 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 56.98 3gyr h ASN 313 Cb 1.36 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 3gyr h ASN 313 CO 0.44 0.69 0.00 0.00 -1.29 0.00 0.00 177.43 177.27 3gyr n ALA 314 N -2.33 0.09 -1.74 -0.83 0.00 -1.25 -1.61 120.51 112.83 3gyr n ALA 314 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 3gyr n ALA 314 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 3gyr n ALA 314 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3gyr s ARG 315 N -0.26 4.11 -0.42 0.00 3.52 -1.26 -4.74 118.95 119.89 3gyr s ARG 315 Ca 0.00 2.61 -0.19 0.00 -0.13 0.00 0.00 55.73 58.02 3gyr s ARG 315 Cb 0.00 -3.03 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 3gyr s ARG 315 CO 0.00 -0.69 0.55 0.42 -0.81 0.00 0.00 175.30 174.77 3gyr s ILE 316 N 0.39 4.94 0.09 4.11 1.01 -1.26 -3.99 121.20 126.50 3gyr s ILE 316 Ca 0.67 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 3gyr s ILE 316 Cb -0.49 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 37.80 3gyr s ILE 316 CO 0.43 -0.49 1.17 -0.31 0.00 0.00 0.00 174.94 175.74 3gyr s TYR 317 N 2.52 3.48 -0.75 3.97 2.02 -0.52 -4.88 117.35 123.19 3gyr s TYR 317 Ca 0.18 1.39 0.01 0.00 -0.37 0.00 0.00 57.07 58.28 3gyr s TYR 317 Cb -0.15 -3.38 0.18 0.00 -0.40 0.00 0.00 41.96 38.21 3gyr s TYR 317 CO 0.16 -1.08 0.57 -0.80 -1.57 0.00 0.00 175.55 172.84 3gyr s ASN 318 N 0.76 5.32 0.26 2.29 -0.87 -1.26 0.11 114.94 121.55 3gyr s ASN 318 Ca 0.56 -3.53 -0.29 0.00 -1.57 0.00 0.00 52.86 48.03 3gyr s ASN 318 Cb -0.29 -1.79 -0.09 0.00 -0.02 0.00 0.00 41.25 39.06 3gyr s ASN 318 CO 0.31 -0.19 0.96 -0.76 -2.57 0.00 0.00 177.10 174.85 3gyr s LEU 319 N -1.03 4.59 -0.02 0.60 1.43 0.50 -0.68 118.68 124.06 3gyr s LEU 319 Ca 0.24 1.97 0.01 0.00 -1.03 0.00 0.00 54.13 55.32 3gyr s LEU 319 Cb -0.11 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.45 3gyr s LEU 319 CO -0.11 0.08 -0.02 -0.69 0.23 0.00 0.00 176.35 175.85 3gyr s VAL 320 N -1.25 0.23 -0.40 -1.59 1.01 -0.35 -1.17 120.40 116.88 3gyr s VAL 320 Ca 0.43 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.18 3gyr s VAL 320 Cb -0.26 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 35.88 3gyr s VAL 320 CO 0.32 0.12 0.61 -0.22 0.00 0.00 0.00 175.10 175.93 3gyr s LEU 321 N 0.52 4.43 0.29 3.92 2.96 -1.26 -0.70 118.68 128.82 3gyr s LEU 321 Ca -0.05 -0.18 0.10 0.00 -0.22 0.00 0.00 54.13 53.78 3gyr s LEU 321 Cb -0.08 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.85 3gyr s LEU 321 CO -0.01 -0.68 -0.03 0.27 -1.32 0.00 0.00 176.35 174.59 3gyr s ILE 322 N 2.70 3.09 0.00 6.68 -4.36 0.09 -0.34 121.20 129.06 3gyr s ILE 322 Ca 0.22 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 3gyr s ILE 322 Cb -0.15 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 40.83 3gyr s ILE 322 CO 0.17 -0.34 0.00 -0.90 0.24 0.00 0.00 174.94 174.11 3gyr n ASP 323 N -0.87 0.00 0.27 4.36 5.68 -0.15 -0.85 116.55 124.99 3gyr n ASP 323 Ca -0.06 -0.47 0.17 0.00 -0.50 0.00 0.00 54.79 53.94 3gyr n ASP 323 Cb 0.60 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.24 3gyr n ASP 323 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3gyr h GLU 324 N 0.00 0.00 -0.61 0.11 3.07 -1.89 -0.52 114.58 114.73 3gyr h GLU 324 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gyr h GLU 324 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3gyr h GLU 324 CO 0.00 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.36 3gyr n ASP 325 N -3.08 3.32 0.00 1.42 8.00 -1.26 -4.92 116.55 120.03 3gyr n ASP 325 Ca 0.01 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.49 3gyr n ASP 325 Cb 0.32 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 3gyr n ASP 325 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3gyr n ASP 326 N 1.27 -2.60 -4.68 -2.24 8.00 -0.20 -5.00 116.55 111.09 3gyr n ASP 326 Ca 0.21 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.28 3gyr n ASP 326 Cb 0.53 -1.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.08 3gyr n ASP 326 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3gyr s ARG 327 N -0.70 4.28 0.38 -1.24 3.52 -1.26 -4.64 118.95 119.28 3gyr s ARG 327 Ca 0.00 1.91 -0.27 0.00 -0.13 0.00 0.00 55.73 57.25 3gyr s ARG 327 Cb 0.00 -3.63 -0.11 0.00 -1.56 0.00 0.00 34.95 29.64 3gyr s ARG 327 CO 0.00 -0.60 1.25 -2.30 -0.81 0.00 0.00 175.30 172.84 3gyr n PRO 328 N 5.67 1.96 -3.50 5.12 -0.02 -1.26 -0.98 135.00 142.00 3gyr n PRO 328 Ca 0.13 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 3gyr n PRO 328 Cb 0.44 -2.31 -0.09 0.00 -0.02 0.00 0.00 33.50 31.52 3gyr n PRO 328 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gyr s VAL 329 N -1.15 4.79 0.55 -1.45 1.01 0.54 -4.84 120.40 119.84 3gyr s VAL 329 Ca 0.58 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 3gyr s VAL 329 Cb -0.55 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3gyr s VAL 329 CO 0.60 -0.50 0.92 -2.16 0.00 0.00 0.00 175.10 173.96 3gyr s PRO 330 N 1.55 3.62 -0.65 2.72 0.04 -1.26 -4.40 135.00 136.62 3gyr s PRO 330 Ca 0.03 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.62 3gyr s PRO 330 Cb -0.23 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.10 3gyr s PRO 330 CO 0.05 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.13 3gyr n GLY 331 N -2.37 0.74 0.00 0.56 0.00 -1.26 -4.84 105.19 98.02 3gyr n GLY 331 Ca 0.04 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3gyr n GLY 331 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gyr n VAL 332 N -3.02 0.00 -4.03 1.61 0.31 -1.26 -4.93 118.33 107.01 3gyr n VAL 332 Ca -0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.90 3gyr n VAL 332 Cb 0.27 -0.58 -0.07 0.00 -0.91 0.00 0.00 33.84 32.55 3gyr n VAL 332 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3gyr s VAL 333 N -1.83 5.14 -0.06 2.52 1.01 -1.26 -1.18 120.40 124.74 3gyr s VAL 333 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 3gyr s VAL 333 Cb 0.00 -3.24 0.04 0.00 0.00 0.00 0.00 36.38 33.18 3gyr s VAL 333 CO 0.00 0.59 0.12 -1.00 0.00 0.00 0.00 175.10 174.81 3gyr s HIS 334 N -1.01 -0.09 -0.05 5.22 3.76 -0.36 -1.47 115.29 121.29 3gyr s HIS 334 Ca 0.16 0.45 -0.28 0.00 -0.15 0.00 0.00 55.06 55.24 3gyr s HIS 334 Cb -0.12 -0.30 -0.03 0.00 1.11 0.00 0.00 32.58 33.24 3gyr s HIS 334 CO 0.05 -0.22 0.89 -1.14 -0.85 0.00 0.00 174.74 173.47 3gyr s GLN 335 N 1.99 4.48 -0.01 1.40 0.74 0.18 -0.62 119.66 127.83 3gyr s GLN 335 Ca 0.01 1.22 0.07 0.00 0.05 0.00 0.00 55.36 56.70 3gyr s GLN 335 Cb -0.12 -3.48 -0.09 0.00 1.10 0.00 0.00 33.01 30.42 3gyr s GLN 335 CO -0.05 -0.08 0.20 0.44 -0.55 0.00 0.00 175.29 175.26 3gyr n ILE 336 N 4.03 0.00 -3.86 -2.34 -5.35 0.18 -0.63 119.36 111.39 3gyr n ILE 336 Ca 0.04 -0.24 -0.09 0.00 -0.27 0.00 0.00 62.75 62.19 3gyr n ILE 336 Cb 0.51 0.63 -0.06 0.00 -1.74 0.00 0.00 39.64 38.98 3gyr n ILE 336 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3gyr s GLY 337 N -2.27 0.20 0.00 3.28 0.00 -1.08 0.47 107.32 107.91 3gyr s GLY 337 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3gyr s GLY 337 CO 0.27 -0.68 0.00 -1.14 0.00 0.00 0.00 173.10 171.56 3gyr n SER 338 N -0.19 0.00 -0.25 1.64 3.41 0.74 -1.83 113.62 117.14 3gyr n SER 338 Ca -0.11 -0.99 0.06 0.00 -0.26 0.00 0.00 58.87 57.57 3gyr n SER 338 Cb 0.63 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.70 3gyr n SER 338 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gyr n ASP 339 N -2.73 -0.21 -0.59 4.04 8.00 -1.20 -1.00 116.55 122.86 3gyr n ASP 339 Ca 0.00 1.18 0.10 0.00 0.71 0.00 0.00 54.79 56.78 3gyr n ASP 339 Cb 0.00 -0.38 0.03 0.00 -0.02 0.00 0.00 41.12 40.75 3gyr n ASP 339 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gyr n GLY 340 N -1.41 0.25 0.00 0.44 0.00 0.10 -4.43 105.19 100.14 3gyr n GLY 340 Ca 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3gyr n GLY 340 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyr n GLY 341 N 1.26 0.84 3.75 -0.02 0.00 -0.17 -4.77 105.19 106.08 3gyr n GLY 341 Ca 0.10 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 3gyr n GLY 341 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gyr n LEU 342 N 0.00 4.47 -4.78 0.99 4.77 -1.26 -0.19 117.00 121.00 3gyr n LEU 342 Ca 0.00 1.17 -0.32 0.00 -0.03 0.00 0.00 56.01 56.83 3gyr n LEU 342 Cb 0.00 -1.60 0.06 0.00 -2.33 0.00 0.00 43.42 39.54 3gyr n LEU 342 CO 0.00 0.16 0.72 -0.76 -1.33 0.00 0.00 177.39 176.17 3gyr s LEU 343 N -0.87 3.24 0.26 2.23 1.43 0.18 -4.74 118.68 120.42 3gyr s LEU 343 Ca 0.61 1.84 -0.04 0.00 -1.03 0.00 0.00 54.13 55.51 3gyr s LEU 343 Cb -0.49 -4.53 0.32 0.00 0.03 0.00 0.00 46.19 41.53 3gyr s LEU 343 CO 0.52 -1.65 1.93 1.55 0.23 0.00 0.00 176.35 178.93 3gyr h PRO 344 N -0.42 1.25 -4.36 1.29 0.13 -1.88 -3.23 132.00 124.78 3gyr h PRO 344 Ca -0.45 -0.08 -0.24 0.00 -0.87 0.00 0.00 66.00 64.36 3gyr h PRO 344 Cb 1.23 -0.28 -0.21 0.00 0.13 0.00 0.00 31.00 31.86 3gyr h PRO 344 CO 0.54 0.83 -0.72 1.03 -0.23 0.00 0.00 178.00 179.44 3gyr s ARG 345 N -6.07 0.45 0.48 0.86 0.52 -1.26 -0.45 118.95 113.49 3gyr s ARG 345 Ca -0.13 -0.69 -0.24 0.00 -0.52 0.00 0.00 55.73 54.16 3gyr s ARG 345 Cb 0.18 -0.17 -0.07 0.00 0.52 0.00 0.00 34.95 35.42 3gyr s ARG 345 CO 0.81 0.02 1.39 -2.14 0.02 0.00 0.00 175.30 175.41 3gyr s PRO 346 N -1.48 3.51 -0.24 3.54 0.02 -1.26 -4.89 135.00 134.20 3gyr s PRO 346 Ca -0.11 2.34 -0.04 0.00 0.02 0.00 0.00 61.00 63.20 3gyr s PRO 346 Cb -0.10 -2.52 -0.00 0.00 0.02 0.00 0.00 34.50 31.90 3gyr s PRO 346 CO -0.00 -0.93 -0.02 0.08 -0.33 0.00 0.00 177.00 175.81 3gyr s VAL 347 N -1.24 3.47 0.10 3.83 1.01 0.20 -4.92 120.40 122.85 3gyr s VAL 347 Ca 0.64 -0.57 -0.31 0.00 0.00 0.00 0.00 61.98 61.75 3gyr s VAL 347 Cb -0.42 -2.64 -0.07 0.00 0.00 0.00 0.00 36.38 33.25 3gyr s VAL 347 CO 0.53 0.33 1.23 -2.16 0.00 0.00 0.00 175.10 175.03 3gyr s PRO 348 N 1.47 4.43 -0.62 2.72 0.04 -1.26 0.50 135.00 142.28 3gyr s PRO 348 Ca 0.05 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 62.91 3gyr s PRO 348 Cb -0.15 -3.30 0.16 0.00 0.04 0.00 0.00 34.50 31.25 3gyr s PRO 348 CO -0.02 -0.24 0.43 0.08 0.04 0.00 0.00 177.00 177.29 3gyr s VAL 349 N 0.78 3.62 -2.19 -0.36 1.01 -0.54 -4.90 120.40 117.81 3gyr s VAL 349 Ca 0.58 -3.02 0.20 0.00 0.00 0.00 0.00 61.98 59.74 3gyr s VAL 349 Cb -0.31 -3.37 0.08 0.00 0.00 0.00 0.00 36.38 32.77 3gyr s VAL 349 CO 0.31 -0.88 1.07 0.47 0.00 0.00 0.00 175.10 176.08 3gyr n ASP 350 N 3.41 2.29 -3.63 3.32 8.00 -1.26 -4.25 116.55 124.43 3gyr n ASP 350 Ca 0.08 -1.65 -0.21 0.00 0.71 0.00 0.00 54.79 53.72 3gyr n ASP 350 Cb 0.37 0.24 0.05 0.00 -0.02 0.00 0.00 41.12 41.77 3gyr n ASP 350 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gyr n PHE 351 N 0.55 -2.13 0.00 1.24 3.01 -0.57 -4.23 117.46 115.32 3gyr n PHE 351 Ca 0.10 0.90 0.00 0.00 1.01 0.00 0.00 57.45 59.46 3gyr n PHE 351 Cb 0.47 -4.63 0.00 0.00 -0.01 0.00 0.00 39.48 35.31 3gyr n PHE 351 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3gyr n ASP 352 N -3.05 0.00 0.00 4.37 3.85 -1.11 -4.73 116.55 115.88 3gyr n ASP 352 Ca -0.23 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.85 3gyr n ASP 352 Cb 0.65 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.42 3gyr n ASP 352 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3gyr n ASP 353 N -0.81 0.00 0.19 -1.12 8.00 -1.26 -4.57 116.55 116.98 3gyr n ASP 353 Ca 0.00 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.68 3gyr n ASP 353 Cb 0.00 0.00 0.82 0.00 -0.02 0.00 0.00 41.12 41.92 3gyr n ASP 353 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3gyr h THR 354 N 0.00 0.40 -0.45 -3.53 2.02 -2.00 -3.36 112.91 105.98 3gyr h THR 354 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 3gyr h THR 354 Cb 0.00 0.78 -0.17 0.00 -1.74 0.00 0.00 68.15 67.02 3gyr h THR 354 CO 0.00 0.00 -0.22 -0.22 0.37 0.00 0.00 175.52 175.45 3gyr s LEU 355 N -7.37 -0.68 0.43 2.58 2.96 -1.26 -4.83 118.68 110.51 3gyr s LEU 355 Ca -0.04 -0.47 0.24 0.00 -0.22 0.00 0.00 54.13 53.64 3gyr s LEU 355 Cb 0.15 0.88 0.60 0.00 0.50 0.00 0.00 46.19 48.32 3gyr s LEU 355 CO 0.52 -0.06 1.69 1.55 -1.32 0.00 0.00 176.35 178.73 3gyr h PRO 356 N 5.51 0.00 -3.69 0.98 0.13 -1.81 -1.46 132.00 131.67 3gyr h PRO 356 Ca -0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 3gyr h PRO 356 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 3gyr h PRO 356 CO -0.03 0.13 -0.62 0.14 -0.23 0.00 0.00 178.00 177.38 3gyr s VAL 357 N -3.33 0.06 -0.56 1.56 -7.23 -1.26 -4.53 120.40 105.10 3gyr s VAL 357 Ca 0.04 -0.47 -0.25 0.00 -1.81 0.00 0.00 61.98 59.49 3gyr s VAL 357 Cb 0.07 -0.24 0.04 0.00 0.56 0.00 0.00 36.38 36.81 3gyr s VAL 357 CO 0.65 -0.26 0.99 -0.22 -0.31 0.00 0.00 175.10 175.95 3gyr s LEU 358 N -0.81 4.00 -0.50 1.32 2.96 -0.31 -4.87 118.68 120.45 3gyr s LEU 358 Ca -0.09 -0.31 -0.24 0.00 -0.22 0.00 0.00 54.13 53.27 3gyr s LEU 358 Cb -0.05 -2.86 0.03 0.00 0.50 0.00 0.00 46.19 43.81 3gyr s LEU 358 CO 0.00 -1.29 0.90 -0.55 -1.32 0.00 0.00 176.35 174.10 3gyr s SER 359 N 2.91 6.40 -0.44 3.68 0.15 -1.26 -0.37 113.70 124.77 3gyr s SER 359 Ca 0.32 -0.17 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 3gyr s SER 359 Cb -0.12 -2.43 0.12 0.00 -1.71 0.00 0.00 66.02 61.88 3gyr s SER 359 CO 0.20 -1.11 0.25 0.00 1.20 0.00 0.00 173.24 173.77 3gyr s ALA 360 N 3.75 3.23 0.79 5.45 0.00 0.12 -4.98 121.76 130.12 3gyr s ALA 360 Ca 0.32 -2.63 -0.11 0.00 0.00 0.00 0.00 51.96 49.54 3gyr s ALA 360 Cb -0.12 -2.48 0.07 0.00 0.00 0.00 0.00 23.12 20.58 3gyr s ALA 360 CO 0.22 -1.85 1.09 0.00 0.00 0.00 0.00 175.76 175.22 3gyr s ALA 361 N 1.01 2.23 0.28 0.00 0.00 -1.26 -1.44 121.76 122.58 3gyr s ALA 361 Ca 0.09 -0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.65 3gyr s ALA 361 Cb -0.23 -3.14 -0.14 0.00 0.00 0.00 0.00 23.12 19.62 3gyr s ALA 361 CO -0.04 -1.72 1.18 -2.30 0.00 0.00 0.00 175.76 172.88 3gyr n PRO 362 N -3.44 1.68 -0.01 0.00 -0.02 -1.26 -2.13 135.00 129.81 3gyr n PRO 362 Ca 0.07 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3gyr n PRO 362 Cb 0.55 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3gyr n PRO 362 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gyr n ALA 363 N 0.72 0.00 -1.77 3.55 0.00 0.65 -4.95 120.51 118.71 3gyr n ALA 363 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.17 3gyr n ALA 363 Cb 0.32 -0.18 -0.00 0.00 0.00 0.00 0.00 19.45 19.59 3gyr n ALA 363 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gyr s GLU 364 N -0.01 3.59 0.04 0.00 2.02 -0.91 -4.86 118.70 118.58 3gyr s GLU 364 Ca 0.00 1.73 0.08 0.00 0.02 0.00 0.00 54.97 56.80 3gyr s GLU 364 Cb 0.00 -2.26 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 3gyr s GLU 364 CO 0.00 -0.68 -0.23 1.03 0.02 0.00 0.00 175.26 175.40 3gyr s ARG 365 N -2.91 1.93 -0.09 1.61 0.52 -1.26 -3.26 118.95 115.48 3gyr s ARG 365 Ca 0.67 -1.05 -0.01 0.00 -0.52 0.00 0.00 55.73 54.82 3gyr s ARG 365 Cb -0.27 -2.07 0.03 0.00 0.52 0.00 0.00 34.95 33.15 3gyr s ARG 365 CO 0.32 0.53 -0.04 -0.06 0.02 0.00 0.00 175.30 176.07 3gyr s PHE 366 N -0.85 1.09 -0.45 -0.53 0.08 0.32 -3.38 117.98 114.26 3gyr s PHE 366 Ca 0.13 -0.46 -0.17 0.00 0.12 0.00 0.00 56.93 56.55 3gyr s PHE 366 Cb -0.10 -1.02 0.04 0.00 -0.57 0.00 0.00 43.02 41.36 3gyr s PHE 366 CO 0.03 -0.43 0.44 0.34 -0.10 0.00 0.00 175.22 175.50 3gyr s ASP 367 N 1.84 6.17 -0.08 1.36 -1.08 -0.76 -0.73 116.67 123.40 3gyr s ASP 367 Ca 0.05 -0.92 0.04 0.00 -0.52 0.00 0.00 52.55 51.20 3gyr s ASP 367 Cb -0.12 -2.22 -0.02 0.00 -1.46 0.00 0.00 42.92 39.11 3gyr s ASP 367 CO -0.07 -0.63 -0.18 -0.76 0.52 0.00 0.00 175.17 174.05 3gyr s LEU 368 N 2.02 2.45 -0.15 -1.34 1.43 -0.07 0.50 118.68 123.52 3gyr s LEU 368 Ca 0.09 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 3gyr s LEU 368 Cb -0.20 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3gyr s LEU 368 CO 0.11 0.25 0.12 -0.76 0.23 0.00 0.00 176.35 176.30 3gyr s LEU 369 N -0.16 4.22 -0.08 1.79 1.43 0.21 -0.28 118.68 125.81 3gyr s LEU 369 Ca -0.02 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3gyr s LEU 369 Cb -0.14 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.04 3gyr s LEU 369 CO 0.04 0.30 -0.15 0.68 0.23 0.00 0.00 176.35 177.45 3gyr s VAL 370 N -0.38 1.37 -0.50 -1.59 -7.23 0.20 -1.22 120.40 111.05 3gyr s VAL 370 Ca 0.11 -0.60 -0.14 0.00 -1.81 0.00 0.00 61.98 59.53 3gyr s VAL 370 Cb -0.12 -1.24 0.10 0.00 0.56 0.00 0.00 36.38 35.69 3gyr s VAL 370 CO 0.01 0.41 0.42 -0.62 -0.31 0.00 0.00 175.10 175.02 3gyr s ASP 371 N 0.69 6.07 -0.15 4.85 2.15 -0.32 -1.04 116.67 128.91 3gyr s ASP 371 Ca -0.14 -1.62 0.16 0.00 0.43 0.00 0.00 52.55 51.39 3gyr s ASP 371 Cb -0.16 -2.16 0.72 0.00 -0.30 0.00 0.00 42.92 41.03 3gyr s ASP 371 CO 0.04 -0.74 1.62 0.49 -0.17 0.00 0.00 175.17 176.41 3gyr n PHE 372 N 5.16 1.63 -0.30 -5.34 3.72 -0.59 -4.64 117.46 117.10 3gyr n PHE 372 Ca -0.12 -0.61 0.01 0.00 -0.05 0.00 0.00 57.45 56.68 3gyr n PHE 372 Cb 0.42 -0.33 0.20 0.00 -0.94 0.00 0.00 39.48 38.83 3gyr n PHE 372 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gyr h ARG 373 N 3.88 1.09 -0.52 -1.08 3.08 -1.72 -1.15 114.38 117.96 3gyr h ARG 373 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3gyr h ARG 373 Cb 1.58 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3gyr h ARG 373 CO 0.31 0.72 0.00 0.00 -1.07 0.00 0.00 179.97 179.93 3gyr n ALA 374 N -2.40 2.45 -1.45 0.04 0.00 -1.26 -4.44 120.51 113.45 3gyr n ALA 374 Ca 0.11 -0.90 0.05 0.00 0.00 0.00 0.00 53.44 52.70 3gyr n ALA 374 Cb 0.09 -0.96 0.20 0.00 0.00 0.00 0.00 19.45 18.77 3gyr n ALA 374 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gyr n LEU 375 N 0.97 2.95 -4.77 0.00 4.77 -0.44 -5.03 117.00 115.46 3gyr n LEU 375 Ca 0.17 -3.69 -0.41 0.00 -0.03 0.00 0.00 56.01 52.05 3gyr n LEU 375 Cb 0.44 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 3gyr n LEU 375 CO 0.12 1.22 1.20 -0.83 -1.33 0.00 0.00 177.39 177.77 3gyr s GLY 376 N -2.99 2.52 0.00 -0.72 0.00 -1.26 -2.22 107.32 102.65 3gyr s GLY 376 Ca 0.38 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.70 3gyr s GLY 376 CO -0.03 2.43 0.00 0.61 0.00 0.00 0.00 173.10 176.11 3gyr n GLY 377 N 1.29 0.89 3.90 0.20 0.00 0.91 -4.78 105.19 107.61 3gyr n GLY 377 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 3gyr n GLY 377 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 378 N -0.04 3.07 -0.14 1.61 1.81 -0.94 -4.90 118.95 119.41 3gyr s ARG 378 Ca 0.00 -1.01 0.02 0.00 -1.72 0.00 0.00 55.73 53.02 3gyr s ARG 378 Cb 0.00 -2.68 0.02 0.00 -0.45 0.00 0.00 34.95 31.83 3gyr s ARG 378 CO 0.00 0.30 -0.18 1.03 -0.68 0.00 0.00 175.30 175.76 3gyr s ARG 379 N -3.96 2.66 0.11 3.54 0.52 -1.26 -1.19 118.95 119.36 3gyr s ARG 379 Ca 0.37 -0.71 0.08 0.00 -0.52 0.00 0.00 55.73 54.95 3gyr s ARG 379 Cb -0.08 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 3gyr s ARG 379 CO 0.27 -0.12 -0.16 -0.51 0.02 0.00 0.00 175.30 174.80 3gyr s LEU 380 N 1.11 2.77 -0.08 2.53 1.43 0.11 -3.71 118.68 122.84 3gyr s LEU 380 Ca -0.02 -0.52 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 3gyr s LEU 380 Cb -0.14 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.48 3gyr s LEU 380 CO -0.06 0.18 -0.21 -0.13 0.23 0.00 0.00 176.35 176.36 3gyr s ARG 381 N -2.12 2.56 -0.11 1.70 0.52 -0.03 0.35 118.95 121.81 3gyr s ARG 381 Ca 0.18 -0.77 -0.26 0.00 -0.52 0.00 0.00 55.73 54.36 3gyr s ARG 381 Cb -0.11 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.32 3gyr s ARG 381 CO 0.11 0.20 0.86 -1.17 0.02 0.00 0.00 175.30 175.31 3gyr s LEU 382 N 0.27 4.25 0.23 2.53 2.96 -0.01 -0.73 118.68 128.17 3gyr s LEU 382 Ca -0.13 1.32 0.06 0.00 -0.22 0.00 0.00 54.13 55.16 3gyr s LEU 382 Cb -0.16 -3.31 -0.05 0.00 0.50 0.00 0.00 46.19 43.16 3gyr s LEU 382 CO 0.06 -0.33 -0.08 0.68 -1.32 0.00 0.00 176.35 175.37 3gyr s VAL 383 N 1.66 1.50 -0.22 1.68 -7.23 0.12 -0.62 120.40 117.29 3gyr s VAL 383 Ca 0.42 -2.13 -0.18 0.00 -1.81 0.00 0.00 61.98 58.29 3gyr s VAL 383 Cb -0.18 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 3gyr s VAL 383 CO 0.17 -0.45 0.50 -0.62 -0.31 0.00 0.00 175.10 174.39 3gyr s ASP 384 N -3.35 6.49 -0.23 4.85 2.15 0.58 -1.21 116.67 125.96 3gyr s ASP 384 Ca 0.26 0.59 -0.23 0.00 0.43 0.00 0.00 52.55 53.60 3gyr s ASP 384 Cb 0.03 -2.28 -0.01 0.00 -0.30 0.00 0.00 42.92 40.36 3gyr s ASP 384 CO 0.08 -0.20 0.75 -0.75 -0.17 0.00 0.00 175.17 174.88 3gyr s LYS 385 N 1.81 4.19 0.56 4.34 2.20 0.15 -4.60 119.74 128.40 3gyr s LYS 385 Ca 0.22 0.80 -0.17 0.00 -0.36 0.00 0.00 55.97 56.46 3gyr s LYS 385 Cb -0.15 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 3gyr s LYS 385 CO 0.09 -0.41 1.05 0.20 -0.36 0.00 0.00 175.35 175.92 3gyr s GLY 386 N 1.32 2.22 0.55 5.54 0.00 -1.26 -4.69 107.32 111.00 3gyr s GLY 386 Ca 0.32 0.44 0.31 0.00 0.00 0.00 0.00 44.72 45.79 3gyr s GLY 386 CO 0.09 0.76 2.12 -0.56 0.00 0.00 0.00 173.10 175.50 3gyr h PRO 387 N 0.73 0.00 -0.42 2.90 0.13 -1.92 -3.25 132.00 130.17 3gyr h PRO 387 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3gyr h PRO 387 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3gyr h PRO 387 CO 0.58 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.84 3gyr n GLY 388 N -0.68 1.87 3.33 1.56 0.00 -1.26 -4.99 105.19 105.02 3gyr n GLY 388 Ca -0.02 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 3gyr n GLY 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyr s ALA 389 N -1.27 -1.00 0.73 4.61 0.00 -1.23 -5.05 121.76 118.55 3gyr s ALA 389 Ca 0.36 0.03 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 3gyr s ALA 389 Cb 0.21 0.68 0.04 0.00 0.00 0.00 0.00 23.12 24.05 3gyr s ALA 389 CO 0.28 -0.64 1.16 -2.14 0.00 0.00 0.00 175.76 174.42 3gyr s PRO 390 N -3.70 2.22 0.21 0.00 0.02 -1.26 -4.48 135.00 128.02 3gyr s PRO 390 Ca 0.02 1.56 -0.32 0.00 0.02 0.00 0.00 61.00 62.28 3gyr s PRO 390 Cb 0.01 -1.86 -0.14 0.00 0.02 0.00 0.00 34.50 32.53 3gyr s PRO 390 CO -0.11 -1.73 1.35 0.00 -0.33 0.00 0.00 177.00 176.17 3gyr n ALA 391 N -2.88 0.58 0.00 -1.55 0.00 -1.26 -1.32 120.51 114.07 3gyr n ALA 391 Ca 0.12 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3gyr n ALA 391 Cb 0.51 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.75 3gyr n ALA 391 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gyr n GLY 392 N 2.19 3.33 3.67 0.00 0.00 -1.26 -4.92 105.19 108.20 3gyr n GLY 392 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3gyr n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gyr s THR 393 N -2.44 5.17 0.25 2.61 2.01 -0.43 -4.84 115.64 117.96 3gyr s THR 393 Ca 0.00 0.78 -0.29 0.00 0.31 0.00 0.00 61.69 62.49 3gyr s THR 393 Cb 0.00 -3.76 -0.15 0.00 0.01 0.00 0.00 72.50 68.60 3gyr s THR 393 CO 0.00 0.23 0.92 -2.65 -0.69 0.00 0.00 174.62 172.43 3gyr n PRO 394 N 4.57 1.01 -3.23 4.92 -0.02 -1.26 -4.65 135.00 136.34 3gyr n PRO 394 Ca -0.07 0.36 -0.25 0.00 -2.02 0.00 0.00 63.50 61.52 3gyr n PRO 394 Cb 0.51 -1.66 -0.08 0.00 -0.02 0.00 0.00 33.50 32.25 3gyr n PRO 394 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3gyr n ASP 395 N 1.51 0.25 -0.23 2.55 2.03 0.80 -4.87 116.55 118.59 3gyr n ASP 395 Ca 0.12 -2.68 -0.04 0.00 0.52 0.00 0.00 54.79 52.72 3gyr n ASP 395 Cb 0.29 -0.63 0.07 0.00 -0.72 0.00 0.00 41.12 40.13 3gyr n ASP 395 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gyr h PRO 396 N 4.25 0.77 -0.24 -0.67 0.11 -1.84 0.04 132.00 134.42 3gyr h PRO 396 Ca 0.10 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.22 3gyr h PRO 396 Cb 0.87 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 3gyr h PRO 396 CO 0.47 0.51 0.17 -0.07 -0.21 0.00 0.00 178.00 178.86 3gyr h LEU 397 N 0.79 0.08 -1.12 2.35 3.38 -1.91 -0.83 115.31 118.05 3gyr h LEU 397 Ca 0.27 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3gyr h LEU 397 Cb 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3gyr h LEU 397 CO -0.11 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.08 3gyr n GLY 398 N -1.56 0.28 1.05 0.83 0.00 -0.44 -4.88 105.19 100.47 3gyr n GLY 398 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3gyr n GLY 398 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyr n GLY 399 N 1.15 0.73 2.61 -0.02 0.00 -0.32 -4.59 105.19 104.75 3gyr n GLY 399 Ca 0.17 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3gyr n GLY 399 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gyr n VAL 400 N -2.52 0.35 -0.20 1.61 0.31 -0.13 -4.95 118.33 112.80 3gyr n VAL 400 Ca 0.00 -4.24 -0.08 0.00 -0.01 0.00 0.00 64.34 60.01 3gyr n VAL 400 Cb 0.00 -1.94 0.02 0.00 -0.91 0.00 0.00 33.84 31.01 3gyr n VAL 400 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3gyr h ARG 401 N 5.30 0.90 -4.69 5.55 2.43 -1.84 0.23 114.38 122.26 3gyr h ARG 401 Ca 0.20 -0.21 -0.66 0.00 -0.81 0.00 0.00 59.98 58.49 3gyr h ARG 401 Cb 0.82 -0.12 -0.39 0.00 -0.42 0.00 0.00 29.97 29.86 3gyr h ARG 401 CO 0.57 0.84 -0.71 0.71 -1.51 0.00 0.00 179.97 179.86 3gyr s TYR 402 N -5.32 3.70 0.54 2.20 1.51 -1.26 -4.38 117.35 114.34 3gyr s TYR 402 Ca -0.13 -2.88 0.23 0.00 -1.01 0.00 0.00 57.07 53.29 3gyr s TYR 402 Cb 0.12 -2.87 1.42 0.00 -0.11 0.00 0.00 41.96 40.53 3gyr s TYR 402 CO 0.81 -0.94 2.08 -1.35 -1.11 0.00 0.00 175.55 175.03 3gyr h PRO 403 N 7.67 0.00 -6.39 -1.71 0.11 -1.81 -3.45 132.00 126.42 3gyr h PRO 403 Ca -0.06 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.42 3gyr h PRO 403 Cb 1.02 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.18 3gyr h PRO 403 CO 0.53 0.00 0.75 0.39 -0.21 0.00 0.00 178.00 179.46 3gyr n GLU 404 N -4.29 1.81 -0.02 1.05 4.71 -1.26 -0.31 120.64 122.33 3gyr n GLU 404 Ca 0.03 0.65 -0.04 0.00 -0.01 0.00 0.00 57.16 57.80 3gyr n GLU 404 Cb 0.36 -2.39 -0.01 0.00 -1.01 0.00 0.00 31.44 28.39 3gyr n GLU 404 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3gyr n VAL 405 N 3.47 1.03 -3.78 2.62 0.31 0.21 -4.62 118.33 117.57 3gyr n VAL 405 Ca 0.19 0.27 -0.08 0.00 -0.01 0.00 0.00 64.34 64.70 3gyr n VAL 405 Cb 0.25 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.35 3gyr n VAL 405 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gyr s MET 406 N -2.11 1.61 -0.10 5.55 0.23 -1.07 -4.08 119.30 119.33 3gyr s MET 406 Ca -0.11 -0.91 0.03 0.00 -1.03 0.00 0.00 55.69 53.66 3gyr s MET 406 Cb 0.02 0.58 -0.01 0.00 -1.53 0.00 0.00 34.83 33.88 3gyr s MET 406 CO 0.17 -0.72 -0.19 -2.00 -2.03 0.00 0.00 175.02 170.25 3gyr s GLU 407 N -3.89 3.08 -0.15 3.16 2.12 -0.87 -0.83 118.70 121.31 3gyr s GLU 407 Ca 0.10 -0.79 -0.12 0.00 0.36 0.00 0.00 54.97 54.52 3gyr s GLU 407 Cb -0.04 -2.43 -0.05 0.00 0.26 0.00 0.00 34.13 31.88 3gyr s GLU 407 CO 0.02 0.25 0.24 -0.06 -0.54 0.00 0.00 175.26 175.18 3gyr s PHE 408 N 0.20 3.49 -0.30 5.30 0.40 0.16 0.34 117.98 127.56 3gyr s PHE 408 Ca -0.11 0.56 -0.00 0.00 -0.60 0.00 0.00 56.93 56.77 3gyr s PHE 408 Cb -0.16 -2.24 0.06 0.00 0.51 0.00 0.00 43.02 41.18 3gyr s PHE 408 CO 0.06 0.34 -0.02 1.03 0.70 0.00 0.00 175.22 177.34 3gyr s ARG 409 N 0.14 2.31 -0.26 0.44 0.52 0.16 -0.71 118.95 121.54 3gyr s ARG 409 Ca 0.15 -1.34 -0.19 0.00 -0.52 0.00 0.00 55.73 53.83 3gyr s ARG 409 Cb -0.13 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 32.20 3gyr s ARG 409 CO 0.03 -0.64 0.56 0.08 0.02 0.00 0.00 175.30 175.35 3gyr s VAL 410 N 1.19 5.03 -0.06 3.52 1.01 -0.34 -0.89 120.40 129.87 3gyr s VAL 410 Ca -0.05 0.96 -0.25 0.00 0.00 0.00 0.00 61.98 62.64 3gyr s VAL 410 Cb -0.20 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3gyr s VAL 410 CO -0.03 0.05 0.79 -0.60 0.00 0.00 0.00 175.10 175.32 3gyr s ARG 411 N 2.40 4.46 0.00 2.72 3.52 0.90 -0.06 118.95 132.89 3gyr s ARG 411 Ca 0.23 1.05 -0.30 0.00 -0.13 0.00 0.00 55.73 56.58 3gyr s ARG 411 Cb -0.16 -3.46 -0.06 0.00 -1.56 0.00 0.00 34.95 29.71 3gyr s ARG 411 CO 0.09 -0.00 1.46 -2.00 -0.81 0.00 0.00 175.30 174.03 3gyr s GLU 412 N 0.98 4.26 0.38 5.12 2.12 -1.26 -1.86 118.70 128.45 3gyr s GLU 412 Ca 0.42 2.03 0.08 0.00 0.36 0.00 0.00 54.97 57.86 3gyr s GLU 412 Cb -0.19 -3.61 -0.07 0.00 0.26 0.00 0.00 34.13 30.52 3gyr s GLU 412 CO 0.20 -0.62 -0.02 0.99 -0.54 0.00 0.00 175.26 175.27 3gyr s THR 413 N 2.57 2.02 -0.37 -1.70 2.01 -1.26 -4.97 115.64 113.94 3gyr s THR 413 Ca 0.66 -2.06 0.06 0.00 0.31 0.00 0.00 61.69 60.66 3gyr s THR 413 Cb -0.33 -2.88 0.48 0.00 0.01 0.00 0.00 72.50 69.79 3gyr s THR 413 CO 0.27 -0.07 1.50 0.00 -0.69 0.00 0.00 174.62 175.63 3gyr s GLU 415 N -3.49 3.50 -0.20 0.00 2.02 -1.26 -5.10 118.70 114.17 3gyr s GLU 415 Ca 0.51 -0.39 -0.07 0.00 0.02 0.00 0.00 54.97 55.04 3gyr s GLU 415 Cb 0.43 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 3gyr s GLU 415 CO 0.01 0.31 0.05 -1.21 0.02 0.00 0.00 175.26 174.44 3gyr s GLU 416 N -3.79 3.83 -0.38 1.61 0.41 -1.26 -5.05 118.70 114.07 3gyr s GLU 416 Ca 0.39 -0.41 -0.11 0.00 -0.41 0.00 0.00 54.97 54.42 3gyr s GLU 416 Cb -0.10 -3.21 0.03 0.00 -1.78 0.00 0.00 34.13 29.07 3gyr s GLU 416 CO 0.31 0.12 0.21 0.34 -0.49 0.00 0.00 175.26 175.75 3gyr s ASP 417 N 0.77 5.73 -0.14 -0.19 -1.08 -1.26 -4.95 116.67 115.55 3gyr s ASP 417 Ca 0.03 -1.03 0.15 0.00 -0.52 0.00 0.00 52.55 51.17 3gyr s ASP 417 Cb -0.14 -2.02 0.67 0.00 -1.46 0.00 0.00 42.92 39.97 3gyr s ASP 417 CO 0.02 -0.40 1.55 -1.54 0.52 0.00 0.00 175.17 175.33 3gyr n SER 418 N 4.99 4.56 -4.55 -0.34 3.41 -1.26 -5.00 113.62 115.43 3gyr n SER 418 Ca -0.12 -2.54 -0.54 0.00 -0.26 0.00 0.00 58.87 55.42 3gyr n SER 418 Cb 0.46 -0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 3gyr n SER 418 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3gyr n PHE 419 N 0.83 1.15 -4.44 7.33 7.35 -1.26 -4.97 117.46 123.45 3gyr n PHE 419 Ca 0.23 0.79 -0.34 0.00 -0.76 0.00 0.00 57.45 57.37 3gyr n PHE 419 Cb 0.90 -2.24 -0.12 0.00 0.35 0.00 0.00 39.48 38.37 3gyr n PHE 419 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3gyr s ALA 420 N 0.20 3.00 -0.34 3.13 0.00 -1.26 -5.10 121.76 121.39 3gyr s ALA 420 Ca 0.84 -0.83 -0.08 0.00 0.00 0.00 0.00 51.96 51.90 3gyr s ALA 420 Cb -1.04 -1.50 0.03 0.00 0.00 0.00 0.00 23.12 20.60 3gyr s ALA 420 CO 0.51 0.28 0.14 -1.17 0.00 0.00 0.00 175.76 175.52 3gyr s LEU 421 N 0.16 4.38 0.58 0.00 2.96 -1.26 -5.05 118.68 120.44 3gyr s LEU 421 Ca -0.02 -0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 52.77 3gyr s LEU 421 Cb -0.14 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 3gyr s LEU 421 CO 0.03 -0.32 1.02 -2.16 -1.32 0.00 0.00 176.35 173.60 3gyr s PRO 422 N 1.48 3.64 0.40 0.98 0.04 -1.26 -4.96 135.00 135.32 3gyr s PRO 422 Ca 0.01 0.94 0.07 0.00 0.04 0.00 0.00 61.00 62.06 3gyr s PRO 422 Cb -0.19 -2.09 0.83 0.00 0.04 0.00 0.00 34.50 33.09 3gyr s PRO 422 CO 0.04 -0.54 2.02 0.93 0.04 0.00 0.00 177.00 179.50 3gyr h GLU 423 N 0.31 0.48 -5.51 4.56 4.39 -1.99 -3.39 114.58 113.43 3gyr h GLU 423 Ca -0.46 -0.05 -0.66 0.00 0.34 0.00 0.00 59.36 58.53 3gyr h GLU 423 Cb 1.19 -0.10 -0.26 0.00 -0.10 0.00 0.00 28.75 29.48 3gyr h GLU 423 CO 0.60 0.38 -0.76 0.08 -1.16 0.00 0.00 179.01 178.15 3gyr s VAL 424 N -5.31 3.07 -0.24 3.13 1.01 -1.26 -4.29 120.40 116.50 3gyr s VAL 424 Ca -0.08 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 3gyr s VAL 424 Cb 0.17 -2.27 -0.13 0.00 0.00 0.00 0.00 36.38 34.14 3gyr s VAL 424 CO 0.73 0.54 -0.14 0.18 0.00 0.00 0.00 175.10 176.41 3gyr n LEU 425 N 3.28 1.91 -4.46 3.92 4.77 0.41 -4.96 117.00 121.87 3gyr n LEU 425 Ca -0.18 0.39 -0.34 0.00 -0.03 0.00 0.00 56.01 55.85 3gyr n LEU 425 Cb 0.53 -0.87 -0.13 0.00 -2.33 0.00 0.00 43.42 40.62 3gyr n LEU 425 CO 0.30 0.34 -0.36 -0.55 -1.33 0.00 0.00 177.39 175.79 3gyr s SER 426 N -7.04 4.70 0.12 -1.43 0.15 -1.11 -4.98 113.70 104.12 3gyr s SER 426 Ca -0.33 -0.18 0.12 0.00 0.70 0.00 0.00 55.95 56.26 3gyr s SER 426 Cb 0.10 -1.77 -0.13 0.00 -1.71 0.00 0.00 66.02 62.51 3gyr s SER 426 CO 0.50 0.13 1.11 1.23 1.20 0.00 0.00 173.24 177.42 3gyr h GLY 427 N 6.96 0.00 2.00 9.45 0.00 -1.92 -3.34 103.07 116.22 3gyr h GLY 427 Ca -0.32 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3gyr h GLY 427 CO 0.62 0.00 -0.08 1.48 0.00 0.00 0.00 176.54 178.56 3gyr h SER 428 N 0.00 0.00 -2.20 0.19 4.64 -2.00 -3.45 113.55 110.73 3gyr h SER 428 Ca -0.09 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.67 3gyr h SER 428 Cb 1.68 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.78 3gyr h SER 428 CO 0.09 0.08 1.27 0.33 -0.87 0.00 0.00 176.83 177.72 3gyr n PHE 429 N -3.20 2.36 -4.18 4.77 7.35 -1.25 -4.96 117.46 118.35 3gyr n PHE 429 Ca 0.01 -0.26 -0.34 0.00 -0.76 0.00 0.00 57.45 56.10 3gyr n PHE 429 Cb 0.36 -2.76 -0.14 0.00 0.35 0.00 0.00 39.48 37.29 3gyr n PHE 429 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3gyr s ARG 430 N 4.81 3.37 0.13 -4.13 1.81 -1.26 -5.06 118.95 118.61 3gyr s ARG 430 Ca 0.92 -0.65 -0.31 0.00 -1.72 0.00 0.00 55.73 53.97 3gyr s ARG 430 Cb -0.47 -2.87 -0.10 0.00 -0.45 0.00 0.00 34.95 31.06 3gyr s ARG 430 CO 0.43 -0.07 1.70 0.50 -0.68 0.00 0.00 175.30 177.19 3gyr s ARG 431 N 1.10 4.17 -0.02 3.54 6.06 -1.26 -4.93 118.95 127.61 3gyr s ARG 431 Ca 0.01 2.47 -0.32 0.00 -2.50 0.00 0.00 55.73 55.39 3gyr s ARG 431 Cb -0.15 -3.42 -0.10 0.00 0.06 0.00 0.00 34.95 31.34 3gyr s ARG 431 CO -0.01 -0.75 1.94 -1.33 -2.50 0.00 0.00 175.30 172.65 3gyr n MET 432 N 5.03 2.58 -3.31 5.12 2.81 -1.26 -4.99 117.12 123.10 3gyr n MET 432 Ca 0.16 0.94 -0.39 0.00 -1.81 0.00 0.00 57.70 56.60 3gyr n MET 432 Cb 0.38 -2.86 -0.08 0.00 -0.71 0.00 0.00 33.22 29.95 3gyr n MET 432 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3gyr s SER 433 N 4.36 6.41 0.63 7.83 0.15 -1.26 -4.94 113.70 126.89 3gyr s SER 433 Ca 0.91 0.49 0.28 0.00 0.70 0.00 0.00 55.95 58.32 3gyr s SER 433 Cb -0.54 -2.25 1.51 0.00 -1.71 0.00 0.00 66.02 63.03 3gyr s SER 433 CO 0.46 -0.19 1.84 -0.74 1.20 0.00 0.00 173.24 175.81 3gyr h HIS 434 N 7.81 0.00 0.00 3.44 2.76 -2.02 -1.11 115.15 126.03 3gyr h HIS 434 Ca -0.32 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.84 3gyr h HIS 434 Cb 1.15 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.11 3gyr h HIS 434 CO 0.73 0.00 -0.03 -0.44 -1.30 0.00 0.00 177.93 176.89 3gyr h ASP 435 N 0.00 0.00 -3.79 3.26 3.32 -2.01 -3.45 116.42 113.75 3gyr h ASP 435 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 3gyr h ASP 435 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3gyr h ASP 435 CO 0.00 0.03 0.42 0.27 -1.72 0.00 0.00 179.24 178.24 3gyr s ILE 436 N -3.82 3.75 0.31 0.35 -5.25 -0.42 -4.96 121.20 111.16 3gyr s ILE 436 Ca -0.01 1.75 -0.29 0.00 -0.99 0.00 0.00 60.65 61.12 3gyr s ILE 436 Cb 0.10 -4.11 -0.13 0.00 2.95 0.00 0.00 42.46 41.28 3gyr s ILE 436 CO 0.53 0.41 1.30 -2.65 -1.79 0.00 0.00 174.94 172.74 3gyr n PRO 437 N 1.28 2.06 -3.44 0.37 -0.02 -1.26 -4.99 135.00 129.00 3gyr n PRO 437 Ca -0.01 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 62.07 3gyr n PRO 437 Cb 0.46 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 3gyr n PRO 437 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3gyr s HIS 438 N -0.82 -0.53 0.75 6.00 -3.43 -1.26 -4.43 115.29 111.58 3gyr s HIS 438 Ca 0.59 0.41 -0.05 0.00 -0.80 0.00 0.00 55.06 55.21 3gyr s HIS 438 Cb -0.60 0.54 0.12 0.00 -1.43 0.00 0.00 32.58 31.22 3gyr s HIS 438 CO 0.59 -0.79 1.05 0.20 -2.00 0.00 0.00 174.74 173.79 3gyr s GLY 439 N -2.53 1.76 -0.04 -1.38 0.00 -0.19 -4.88 107.32 100.06 3gyr s GLY 439 Ca 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.30 3gyr s GLY 439 CO -0.10 -0.88 -0.04 0.30 0.00 0.00 0.00 173.10 172.38 3gyr s HIS 440 N -3.29 0.66 0.07 1.90 3.76 -1.26 -0.50 115.29 116.63 3gyr s HIS 440 Ca 0.66 -0.16 0.09 0.00 -0.15 0.00 0.00 55.06 55.50 3gyr s HIS 440 Cb -0.06 -0.58 -0.03 0.00 1.11 0.00 0.00 32.58 33.01 3gyr s HIS 440 CO 0.46 -0.15 -0.25 1.03 -0.85 0.00 0.00 174.74 174.97 3gyr s ARG 441 N 0.78 1.74 -0.17 1.40 1.81 -0.27 -4.98 118.95 119.26 3gyr s ARG 441 Ca -0.10 -1.16 -0.01 0.00 -1.72 0.00 0.00 55.73 52.75 3gyr s ARG 441 Cb -0.13 -1.99 -0.00 0.00 -0.45 0.00 0.00 34.95 32.37 3gyr s ARG 441 CO -0.00 0.50 -0.13 -1.17 -0.68 0.00 0.00 175.30 173.82 3gyr s LEU 442 N -1.51 2.60 -0.28 2.53 2.96 -1.26 -0.69 118.68 123.03 3gyr s LEU 442 Ca 0.13 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 3gyr s LEU 442 Cb -0.10 -1.61 0.04 0.00 0.50 0.00 0.00 46.19 45.02 3gyr s LEU 442 CO 0.04 0.07 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.48 3gyr s ILE 443 N 0.92 2.87 0.03 6.68 -1.09 0.14 -2.96 121.20 127.79 3gyr s ILE 443 Ca -0.03 -1.29 -0.21 0.00 -2.23 0.00 0.00 60.65 56.89 3gyr s ILE 443 Cb -0.15 -2.59 -0.06 0.00 -1.58 0.00 0.00 42.46 38.08 3gyr s ILE 443 CO -0.01 0.00 0.63 -0.69 -1.23 0.00 0.00 174.94 173.64 3gyr s VAL 444 N 1.26 4.81 -0.19 2.92 1.01 -0.43 0.61 120.40 130.40 3gyr s VAL 444 Ca -0.04 1.33 -0.05 0.00 0.00 0.00 0.00 61.98 63.22 3gyr s VAL 444 Cb -0.19 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3gyr s VAL 444 CO -0.03 0.45 0.01 -0.76 0.00 0.00 0.00 175.10 174.77 3gyr s LEU 445 N -0.42 3.37 0.11 3.92 1.02 0.13 -0.89 118.68 125.92 3gyr s LEU 445 Ca 0.32 -0.13 0.05 0.00 0.02 0.00 0.00 54.13 54.39 3gyr s LEU 445 Cb -0.19 -1.85 -0.04 0.00 0.02 0.00 0.00 46.19 44.13 3gyr s LEU 445 CO 0.19 0.10 0.03 0.42 0.02 0.00 0.00 176.35 177.11 3gyr s THR 446 N 0.77 4.12 0.65 5.49 -4.23 -0.82 -1.46 115.64 120.17 3gyr s THR 446 Ca 0.01 -1.03 -0.16 0.00 -1.18 0.00 0.00 61.69 59.32 3gyr s THR 446 Cb -0.14 -3.00 -0.00 0.00 1.34 0.00 0.00 72.50 70.69 3gyr s THR 446 CO 0.02 0.06 1.17 -2.84 -0.54 0.00 0.00 174.62 172.49 3gyr s PRO 447 N -2.52 2.67 0.39 3.99 0.02 -1.26 -3.55 135.00 134.74 3gyr s PRO 447 Ca 0.27 1.66 0.14 0.00 0.02 0.00 0.00 61.00 63.09 3gyr s PRO 447 Cb -0.11 -1.91 0.81 0.00 0.02 0.00 0.00 34.50 33.31 3gyr s PRO 447 CO 0.20 -1.40 1.87 -1.35 -0.33 0.00 0.00 177.00 175.98 3gyr h PRO 448 N 0.27 0.00 -1.00 5.54 0.11 -1.85 -2.94 132.00 132.13 3gyr h PRO 448 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gyr h PRO 448 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3gyr h PRO 448 CO 0.53 0.32 0.00 0.41 -0.21 0.00 0.00 178.00 179.05 3gyr n GLY 449 N -0.56 1.57 3.77 -0.55 0.00 -1.26 -2.81 105.19 105.34 3gyr n GLY 449 Ca -0.02 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3gyr n GLY 449 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gyr s THR 450 N -0.91 3.01 -0.14 2.61 2.01 -1.11 -4.65 115.64 116.45 3gyr s THR 450 Ca 0.00 0.75 -0.35 0.00 0.31 0.00 0.00 61.69 62.40 3gyr s THR 450 Cb 0.00 -3.37 -0.12 0.00 0.01 0.00 0.00 72.50 69.02 3gyr s THR 450 CO 0.00 -0.02 1.89 1.17 -0.69 0.00 0.00 174.62 176.97 3gyr n LYS 451 N -0.60 1.94 -0.30 4.92 4.81 0.28 -2.20 118.16 127.00 3gyr n LYS 451 Ca 0.08 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 3gyr n LYS 451 Cb 0.48 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 32.97 3gyr n LYS 451 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gyr n GLY 452 N 4.55 0.75 0.92 3.14 0.00 -1.26 -4.83 105.19 108.46 3gyr n GLY 452 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.39 3gyr n GLY 452 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gyr n SER 453 N 0.00 2.81 -1.99 1.61 3.41 -0.94 -4.93 113.62 113.60 3gyr n SER 453 Ca 0.00 -1.90 -0.16 0.00 -0.26 0.00 0.00 58.87 56.55 3gyr n SER 453 Cb 0.00 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 3gyr n SER 453 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gyr n GLY 454 N 1.36 0.40 1.44 5.00 0.00 -1.26 -1.95 105.19 110.17 3gyr n GLY 454 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3gyr n GLY 454 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyr n GLY 455 N -0.62 0.63 3.67 -0.02 0.00 -1.23 -4.86 105.19 102.77 3gyr n GLY 455 Ca -0.17 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 3gyr n GLY 455 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gyr s HIS 456 N -2.00 2.99 0.53 1.61 3.76 -0.82 -4.59 115.29 116.77 3gyr s HIS 456 Ca 0.00 -0.00 -0.20 0.00 -0.15 0.00 0.00 55.06 54.71 3gyr s HIS 456 Cb 0.00 -1.58 -0.06 0.00 1.11 0.00 0.00 32.58 32.05 3gyr s HIS 456 CO 0.00 0.46 1.14 -1.25 -0.85 0.00 0.00 174.74 174.24 3gyr s PRO 457 N -1.97 3.39 0.19 8.40 0.04 -1.26 -4.52 135.00 139.27 3gyr s PRO 457 Ca 0.23 1.65 0.05 0.00 0.04 0.00 0.00 61.00 62.97 3gyr s PRO 457 Cb -0.12 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 3gyr s PRO 457 CO 0.14 -0.83 -0.09 -1.21 0.04 0.00 0.00 177.00 175.05 3gyr s GLU 458 N -3.21 1.24 -0.18 4.56 2.02 -1.23 -4.81 118.70 117.08 3gyr s GLU 458 Ca 0.72 -1.56 -0.13 0.00 0.02 0.00 0.00 54.97 54.01 3gyr s GLU 458 Cb -0.25 -0.82 -0.05 0.00 0.10 0.00 0.00 34.13 33.11 3gyr s GLU 458 CO 0.28 0.07 0.28 0.42 0.02 0.00 0.00 175.26 176.34 3gyr s ILE 459 N -3.21 5.30 -0.23 -1.63 1.01 -1.26 -1.94 121.20 119.24 3gyr s ILE 459 Ca 0.22 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.39 3gyr s ILE 459 Cb 0.02 -3.62 0.05 0.00 0.01 0.00 0.00 42.46 38.92 3gyr s ILE 459 CO 0.05 0.36 -0.14 0.26 0.00 0.00 0.00 174.94 175.47 3gyr s TRP 460 N 0.73 3.09 0.02 3.97 0.52 -0.07 -3.90 118.94 123.30 3gyr s TRP 460 Ca 0.15 -2.08 -0.30 0.00 0.02 0.00 0.00 56.10 53.89 3gyr s TRP 460 Cb -0.13 -1.92 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 3gyr s TRP 460 CO 0.04 -0.85 1.01 -1.21 0.02 0.00 0.00 176.95 175.96 3gyr s GLU 461 N 1.17 4.56 -0.04 4.98 2.02 -0.44 -1.31 118.70 129.64 3gyr s GLU 461 Ca -0.04 1.47 0.05 0.00 0.02 0.00 0.00 54.97 56.47 3gyr s GLU 461 Cb -0.18 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.60 3gyr s GLU 461 CO -0.08 -0.05 -0.18 -1.64 0.02 0.00 0.00 175.26 173.33 3gyr s MET 462 N 0.89 2.40 -0.12 1.61 -1.94 -1.16 0.74 119.30 121.73 3gyr s MET 462 Ca 0.52 -0.78 0.01 0.00 -1.71 0.00 0.00 55.69 53.73 3gyr s MET 462 Cb -0.22 -2.27 -0.01 0.00 2.01 0.00 0.00 34.83 34.33 3gyr s MET 462 CO 0.28 0.58 -0.14 0.00 -0.01 0.00 0.00 175.02 175.73 3gyr s ALA 463 N -0.64 2.57 0.21 3.03 0.00 0.38 -4.54 121.76 122.77 3gyr s ALA 463 Ca 0.10 -0.90 -0.31 0.00 0.00 0.00 0.00 51.96 50.84 3gyr s ALA 463 Cb -0.11 -1.15 -0.10 0.00 0.00 0.00 0.00 23.12 21.76 3gyr s ALA 463 CO 0.00 0.28 1.55 -2.00 0.00 0.00 0.00 175.76 175.59 3gyr s GLU 464 N 0.25 4.21 -0.13 0.00 2.12 -1.26 -0.58 118.70 123.30 3gyr s GLU 464 Ca -0.10 2.40 -0.16 0.00 0.36 0.00 0.00 54.97 57.47 3gyr s GLU 464 Cb -0.16 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 3gyr s GLU 464 CO 0.06 -0.57 0.39 0.08 -0.54 0.00 0.00 175.26 174.68 3gyr s VAL 465 N 0.63 5.24 -0.46 3.70 1.01 0.83 -4.90 120.40 126.45 3gyr s VAL 465 Ca 0.66 0.76 0.09 0.00 0.00 0.00 0.00 61.98 63.49 3gyr s VAL 465 Cb -0.44 -3.73 0.38 0.00 0.00 0.00 0.00 36.38 32.59 3gyr s VAL 465 CO 0.37 0.36 0.93 -0.62 0.00 0.00 0.00 175.10 176.15 3gyr n GLU 466 N 3.58 2.38 -3.63 2.72 1.02 -1.26 -4.64 120.64 120.81 3gyr n GLU 466 Ca -0.09 -4.16 -0.13 0.00 -0.02 0.00 0.00 57.16 52.75 3gyr n GLU 466 Cb 0.52 -1.95 -0.06 0.00 -0.02 0.00 0.00 31.44 29.92 3gyr n GLU 466 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3gyr s GLN 472 N -3.17 0.96 0.61 3.49 -1.52 -1.26 -5.21 119.66 113.56 3gyr s GLN 472 Ca 0.43 -0.31 -0.08 0.00 -1.95 0.00 0.00 55.36 53.44 3gyr s GLN 472 Cb 0.35 0.43 -0.00 0.00 -0.22 0.00 0.00 33.01 33.57 3gyr s GLN 472 CO -0.11 -0.33 0.96 0.14 -0.25 0.00 0.00 175.29 175.70 3gyr s VAL 473 N -2.45 3.95 0.45 1.09 -7.23 -1.26 -4.38 120.40 110.57 3gyr s VAL 473 Ca -0.05 0.31 -0.17 0.00 -1.81 0.00 0.00 61.98 60.26 3gyr s VAL 473 Cb -0.01 -3.58 -0.09 0.00 0.56 0.00 0.00 36.38 33.26 3gyr s VAL 473 CO -0.02 -0.68 0.92 -2.16 -0.31 0.00 0.00 175.10 172.85 3gyr s PRO 474 N -5.10 4.04 -0.25 4.82 0.04 -1.26 -5.19 135.00 132.10 3gyr s PRO 474 Ca 0.54 0.92 -0.26 0.00 0.04 0.00 0.00 61.00 62.25 3gyr s PRO 474 Cb -0.11 -2.22 0.12 0.00 0.04 0.00 0.00 34.50 32.33 3gyr s PRO 474 CO 0.48 -0.10 0.99 0.00 0.04 0.00 0.00 177.00 178.42 3gyr s ALA 475 N -2.35 -1.94 0.11 8.56 0.00 -1.26 -5.09 121.76 119.79 3gyr s ALA 475 Ca 0.59 1.81 -0.36 0.00 0.00 0.00 0.00 51.96 53.99 3gyr s ALA 475 Cb -0.10 -1.22 -0.16 0.00 0.00 0.00 0.00 23.12 21.64 3gyr s ALA 475 CO 0.23 -0.26 1.33 -1.91 0.00 0.00 0.00 175.76 175.15 3gyr n GLU 476 N 1.89 1.26 -0.99 0.00 2.13 -1.25 -0.97 120.64 122.71 3gyr n GLU 476 Ca -0.12 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.15 3gyr n GLU 476 Cb 0.56 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.19 3gyr n GLU 476 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gyr n GLY 477 N 2.51 0.81 3.42 8.31 0.00 0.14 -4.91 105.19 115.47 3gyr n GLY 477 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3gyr n GLY 477 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gyr s VAL 478 N -3.27 3.63 -0.07 1.61 1.01 -0.15 0.15 120.40 123.31 3gyr s VAL 478 Ca 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.57 3gyr s VAL 478 Cb 0.00 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3gyr s VAL 478 CO 0.00 0.47 -0.14 -0.63 0.00 0.00 0.00 175.10 174.80 3gyr s ILE 479 N 0.75 1.29 -0.01 2.22 1.01 0.56 -1.22 121.20 125.80 3gyr s ILE 479 Ca -0.02 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3gyr s ILE 479 Cb -0.15 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 3gyr s ILE 479 CO 0.02 0.39 0.03 -1.10 0.00 0.00 0.00 174.94 174.28 3gyr s GLN 480 N 0.54 2.90 -0.09 2.79 -0.21 -1.26 -0.72 119.66 123.60 3gyr s GLN 480 Ca -0.14 -0.55 0.01 0.00 0.02 0.00 0.00 55.36 54.70 3gyr s GLN 480 Cb -0.15 -2.75 0.02 0.00 1.00 0.00 0.00 33.01 31.13 3gyr s GLN 480 CO 0.04 0.64 -0.10 0.08 -2.12 0.00 0.00 175.29 173.83 3gyr s VAL 481 N -1.11 1.07 -0.40 1.09 1.01 0.46 -0.22 120.40 122.31 3gyr s VAL 481 Ca 0.20 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 3gyr s VAL 481 Cb -0.12 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.24 3gyr s VAL 481 CO 0.11 0.36 0.41 -0.89 0.00 0.00 0.00 175.10 175.08 3gyr s THR 482 N 1.19 5.12 0.00 3.92 2.01 0.61 -0.15 115.64 128.33 3gyr s THR 482 Ca -0.05 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.70 3gyr s THR 482 Cb -0.14 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.40 3gyr s THR 482 CO -0.02 -0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.20 3gyr n GLY 483 N 5.07 -1.18 0.29 4.40 0.00 -0.33 -1.55 105.19 111.89 3gyr n GLY 483 Ca -0.08 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.27 3gyr n GLY 483 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyr h ALA 484 N -2.00 1.30 0.00 4.61 0.00 -1.92 -2.37 119.26 118.87 3gyr h ALA 484 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3gyr h ALA 484 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3gyr h ALA 484 CO 0.00 0.49 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 3gyr n ASP 485 N -4.29 0.33 0.00 0.00 5.68 -1.26 -4.84 116.55 112.18 3gyr n ASP 485 Ca 0.03 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 3gyr n ASP 485 Cb 0.22 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 3gyr n ASP 485 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gyr n GLY 486 N 0.21 0.85 3.79 6.12 0.00 -0.89 -4.99 105.19 110.27 3gyr n GLY 486 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3gyr n GLY 486 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gyr s ARG 487 N -0.32 3.16 -0.06 1.61 6.06 -1.26 -4.82 118.95 123.32 3gyr s ARG 487 Ca 0.00 1.35 0.04 0.00 -2.50 0.00 0.00 55.73 54.62 3gyr s ARG 487 Cb 0.00 -2.00 -0.02 0.00 0.06 0.00 0.00 34.95 32.99 3gyr s ARG 487 CO 0.00 -0.96 -0.16 0.99 -2.50 0.00 0.00 175.30 172.67 3gyr s THR 488 N -2.27 2.88 0.20 4.11 2.01 -1.26 -1.18 115.64 120.13 3gyr s THR 488 Ca 0.67 -0.78 0.10 0.00 0.31 0.00 0.00 61.69 61.98 3gyr s THR 488 Cb -0.19 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 3gyr s THR 488 CO 0.36 0.58 -0.20 -0.54 -0.69 0.00 0.00 174.62 174.13 3gyr s LYS 489 N -0.57 1.43 -0.16 4.92 1.02 0.78 -4.95 119.74 122.21 3gyr s LYS 489 Ca 0.08 -1.54 0.02 0.00 0.02 0.00 0.00 55.97 54.55 3gyr s LYS 489 Cb -0.11 -1.53 0.02 0.00 -0.52 0.00 0.00 37.83 35.69 3gyr s LYS 489 CO 0.01 0.30 -0.21 0.99 -0.92 0.00 0.00 175.35 175.53 3gyr s THR 490 N -2.18 2.04 0.12 2.17 2.01 -1.26 -0.40 115.64 118.14 3gyr s THR 490 Ca 0.21 -0.95 0.10 0.00 0.31 0.00 0.00 61.69 61.37 3gyr s THR 490 Cb -0.05 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 3gyr s THR 490 CO 0.09 0.54 -0.24 -0.31 -0.69 0.00 0.00 174.62 174.01 3gyr s TYR 491 N 1.11 2.39 -0.12 4.92 1.51 0.10 -0.12 117.35 127.15 3gyr s TYR 491 Ca 0.00 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 3gyr s TYR 491 Cb -0.14 -1.29 -0.01 0.00 -0.11 0.00 0.00 41.96 40.41 3gyr s TYR 491 CO -0.09 0.34 -0.16 0.50 -1.11 0.00 0.00 175.55 175.04 3gyr s ARG 492 N -2.04 3.24 0.34 -0.62 3.52 0.25 -0.33 118.95 123.31 3gyr s ARG 492 Ca 0.15 -0.73 -0.29 0.00 -0.13 0.00 0.00 55.73 54.73 3gyr s ARG 492 Cb -0.10 -2.54 -0.11 0.00 -1.56 0.00 0.00 34.95 30.64 3gyr s ARG 492 CO 0.07 0.24 1.54 0.50 -0.81 0.00 0.00 175.30 176.84 3gyr s ARG 493 N 0.26 4.11 0.00 5.12 3.52 0.39 -0.47 118.95 131.88 3gyr s ARG 493 Ca -0.11 2.58 0.00 0.00 -0.13 0.00 0.00 55.73 58.07 3gyr s ARG 493 Cb -0.16 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 3gyr s ARG 493 CO 0.06 -0.59 0.00 2.41 -0.81 0.00 0.00 175.30 176.37 3gyr n THR 494 N 1.31 0.00 -3.54 4.11 -1.04 0.23 -4.88 114.28 110.46 3gyr n THR 494 Ca 0.05 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.90 3gyr n THR 494 Cb 0.38 -0.15 -0.06 0.00 -1.82 0.00 0.00 70.33 68.69 3gyr n THR 494 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gyr s ALA 495 N -1.57 -1.82 0.00 2.41 0.00 -1.20 -4.88 121.76 114.70 3gyr s ALA 495 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3gyr s ALA 495 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3gyr s ALA 495 CO 0.00 -0.36 0.10 2.89 0.00 0.00 0.00 175.76 178.40 3gyr n ARG 496 N 0.83 1.18 -3.54 0.00 1.85 -1.25 -1.32 116.66 114.40 3gyr n ARG 496 Ca -0.16 -0.10 -0.11 0.00 -1.00 0.00 0.00 57.85 56.48 3gyr n ARG 496 Cb 0.57 -0.46 -0.02 0.00 -1.05 0.00 0.00 32.46 31.50 3gyr n ARG 496 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3gyr s THR 497 N -0.20 0.01 0.22 8.89 -1.32 -1.25 -4.11 115.64 117.87 3gyr s THR 497 Ca 0.00 -0.29 -0.12 0.00 -1.21 0.00 0.00 61.69 60.07 3gyr s THR 497 Cb 0.00 -1.22 0.25 0.00 -1.51 0.00 0.00 72.50 70.02 3gyr s THR 497 CO 0.00 -0.05 1.63 0.15 -2.21 0.00 0.00 174.62 174.14 3gyr h PHE 498 N 2.06 -0.28 -0.31 9.09 3.04 -1.28 -1.41 116.94 127.85 3gyr h PHE 498 Ca -0.31 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.69 3gyr h PHE 498 Cb 1.29 0.23 0.00 0.00 2.56 0.00 0.00 35.95 40.03 3gyr h PHE 498 CO 0.28 -0.27 0.00 0.09 -2.02 0.00 0.00 178.31 176.39 3gyr n ASN 499 N -5.42 2.50 -4.74 0.41 3.02 -1.26 -4.54 115.26 105.23 3gyr n ASN 499 Ca 0.09 -2.20 -0.33 0.00 -0.03 0.00 0.00 54.58 52.10 3gyr n ASN 499 Cb 0.36 -0.40 0.08 0.00 -0.61 0.00 0.00 39.78 39.21 3gyr n ASN 499 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3gyr s ASP 500 N -0.71 4.52 0.36 6.41 1.01 -0.53 -4.95 116.67 122.78 3gyr s ASP 500 Ca 0.24 2.18 -0.25 0.00 0.71 0.00 0.00 52.55 55.44 3gyr s ASP 500 Cb 0.16 -2.57 -0.13 0.00 1.01 0.00 0.00 42.92 41.38 3gyr s ASP 500 CO 0.12 -2.04 0.66 0.61 0.21 0.00 0.00 175.17 174.74 3gyr n GLY 501 N -0.06 -1.21 3.63 0.21 0.00 -1.26 -4.82 105.19 101.68 3gyr n GLY 501 Ca 0.12 0.16 -0.46 0.00 0.00 0.00 0.00 46.02 45.84 3gyr n GLY 501 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gyr n LEU 502 N 1.35 2.49 -0.13 0.99 7.94 -1.26 -4.92 117.00 123.47 3gyr n LEU 502 Ca 0.12 1.15 -0.24 0.00 -1.11 0.00 0.00 56.01 55.93 3gyr n LEU 502 Cb 0.36 -1.35 -0.10 0.00 0.53 0.00 0.00 43.42 42.86 3gyr n LEU 502 CO 0.56 -0.85 -1.35 0.61 -1.11 0.00 0.00 177.39 175.25 3gyr n GLY 503 N 1.88 -0.39 3.41 -3.96 0.00 -1.26 -4.99 105.19 99.88 3gyr n GLY 503 Ca 0.12 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3gyr n GLY 503 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gyr s PHE 504 N -2.47 3.24 -0.15 1.61 0.08 -1.26 -5.05 117.98 113.98 3gyr s PHE 504 Ca -0.35 -0.80 -0.02 0.00 0.12 0.00 0.00 56.93 55.88 3gyr s PHE 504 Cb 0.12 -2.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 3gyr s PHE 504 CO 0.48 -0.62 -0.09 0.99 -0.10 0.00 0.00 175.22 175.88 3gyr s THR 505 N 1.60 3.30 -0.07 0.64 2.01 -1.26 -0.67 115.64 121.19 3gyr s THR 505 Ca 0.03 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.49 3gyr s THR 505 Cb -0.19 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 69.91 3gyr s THR 505 CO 0.08 0.50 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.78 3gyr s ILE 506 N 0.54 1.04 0.05 1.82 1.01 0.15 -4.97 121.20 120.85 3gyr s ILE 506 Ca -0.06 -0.40 -0.31 0.00 0.00 0.00 0.00 60.65 59.88 3gyr s ILE 506 Cb -0.15 -0.98 -0.08 0.00 0.01 0.00 0.00 42.46 41.26 3gyr s ILE 506 CO 0.03 0.34 1.62 -0.83 0.00 0.00 0.00 174.94 176.10 3gyr s GLY 507 N 0.88 1.60 0.34 6.18 0.00 -1.26 -1.25 107.32 113.80 3gyr s GLY 507 Ca -0.11 1.15 -0.29 0.00 0.00 0.00 0.00 44.72 45.48 3gyr s GLY 507 CO 0.01 2.84 1.43 -2.21 0.00 0.00 0.00 173.10 175.17 3gyr n GLU 508 N 5.63 2.43 0.00 2.90 0.00 0.93 -1.91 120.64 130.63 3gyr n GLU 508 Ca 0.15 0.86 0.00 0.00 0.00 0.00 0.00 57.16 58.17 3gyr n GLU 508 Cb 0.41 -2.54 0.00 0.00 0.00 0.00 0.00 31.44 29.32 3gyr n GLU 508 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gyr n GLY 509 N 0.97 2.75 3.85 8.31 0.00 0.22 -4.55 105.19 116.74 3gyr n GLY 509 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3gyr n GLY 509 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gyr s THR 510 N -2.06 4.05 0.00 2.61 -4.23 -0.80 -4.75 115.64 110.46 3gyr s THR 510 Ca 0.00 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 3gyr s THR 510 Cb 0.00 -3.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.25 3gyr s THR 510 CO 0.00 -0.87 0.07 -1.00 -0.54 0.00 0.00 174.62 172.28 3gyr s HIS 511 N -3.17 3.25 0.02 3.99 3.76 -1.26 -1.49 115.29 120.38 3gyr s HIS 511 Ca 0.57 0.18 0.01 0.00 -0.15 0.00 0.00 55.06 55.67 3gyr s HIS 511 Cb -0.12 -1.72 -0.02 0.00 1.11 0.00 0.00 32.58 31.83 3gyr s HIS 511 CO 0.54 0.54 -0.05 -1.21 -0.85 0.00 0.00 174.74 173.71 3gyr s GLU 512 N -1.76 0.38 -0.19 1.40 2.02 -0.65 -1.03 118.70 118.87 3gyr s GLU 512 Ca 0.23 -0.50 -0.10 0.00 0.02 0.00 0.00 54.97 54.62 3gyr s GLU 512 Cb -0.12 -0.17 -0.05 0.00 0.10 0.00 0.00 34.13 33.90 3gyr s GLU 512 CO 0.14 0.03 0.13 -1.14 0.02 0.00 0.00 175.26 174.44 3gyr s GLN 513 N -1.05 4.13 -0.12 1.61 0.74 0.35 -1.75 119.66 123.57 3gyr s GLN 513 Ca -0.08 -0.21 -0.01 0.00 0.05 0.00 0.00 55.36 55.11 3gyr s GLN 513 Cb -0.07 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.62 3gyr s GLN 513 CO -0.00 0.34 -0.08 -1.58 -0.55 0.00 0.00 175.29 173.42 3gyr s TRP 514 N 0.24 2.92 -0.18 1.67 0.52 -0.37 -1.11 118.94 122.62 3gyr s TRP 514 Ca 0.09 -0.30 -0.07 0.00 0.02 0.00 0.00 56.10 55.83 3gyr s TRP 514 Cb -0.11 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 3gyr s TRP 514 CO -0.01 0.02 0.06 0.99 0.02 0.00 0.00 176.95 178.03 3gyr s THR 515 N -0.01 4.80 -0.38 2.01 2.01 0.14 -1.88 115.64 122.32 3gyr s THR 515 Ca -0.01 -0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 3gyr s THR 515 Cb -0.14 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.23 3gyr s THR 515 CO 0.03 0.46 0.24 -0.36 -0.69 0.00 0.00 174.62 174.30 3gyr s PHE 516 N 0.37 3.24 -0.50 4.92 0.40 0.04 0.25 117.98 126.70 3gyr s PHE 516 Ca 0.03 -0.72 -0.15 0.00 -0.60 0.00 0.00 56.93 55.48 3gyr s PHE 516 Cb -0.12 -2.49 0.10 0.00 0.51 0.00 0.00 43.02 41.02 3gyr s PHE 516 CO 0.00 -0.58 0.44 -1.17 0.70 0.00 0.00 175.22 174.61 3gyr s LEU 517 N 1.62 5.89 -0.30 -0.37 2.96 0.20 -0.34 118.68 128.34 3gyr s LEU 517 Ca 0.04 -1.58 -0.20 0.00 -0.22 0.00 0.00 54.13 52.17 3gyr s LEU 517 Cb -0.19 -2.18 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 3gyr s LEU 517 CO 0.08 -0.75 0.60 0.21 -1.32 0.00 0.00 176.35 175.18 3gyr s ASN 518 N 3.08 6.48 0.00 3.68 3.84 0.56 0.17 114.94 132.74 3gyr s ASN 518 Ca 0.04 0.42 0.21 0.00 0.21 0.00 0.00 52.86 53.74 3gyr s ASN 518 Cb -0.27 -2.32 0.38 0.00 -0.55 0.00 0.00 41.25 38.49 3gyr s ASN 518 CO 0.04 -0.44 1.33 0.18 -2.79 0.00 0.00 177.10 175.42 3gyr n LEU 519 N 5.81 3.28 -4.86 3.21 4.77 -0.53 -0.49 117.00 128.18 3gyr n LEU 519 Ca -0.02 -1.49 -0.24 0.00 -0.03 0.00 0.00 56.01 54.23 3gyr n LEU 519 Cb 0.49 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3gyr n LEU 519 CO 0.45 0.71 -0.02 -0.94 -1.33 0.00 0.00 177.39 176.26 3gyr s SER 520 N -1.40 4.74 0.00 -1.43 1.04 -1.26 -4.61 113.70 110.78 3gyr s SER 520 Ca 0.35 -1.02 0.22 0.00 0.48 0.00 0.00 55.95 55.98 3gyr s SER 520 Cb 0.21 -0.17 0.73 0.00 0.10 0.00 0.00 66.02 66.89 3gyr s SER 520 CO 0.29 -0.81 1.54 -0.81 0.98 0.00 0.00 173.24 174.43 3gyr n PRO 521 N -1.56 1.82 -2.72 4.02 -0.04 -1.26 -2.58 135.00 132.68 3gyr n PRO 521 Ca 0.01 -1.23 -0.42 0.00 -0.04 0.00 0.00 63.50 61.81 3gyr n PRO 521 Cb 0.63 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.65 3gyr n PRO 521 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3gyr s ILE 522 N -1.79 4.84 -0.31 0.52 1.01 -1.26 -4.05 121.20 120.16 3gyr s ILE 522 Ca 0.33 2.02 -0.28 0.00 0.00 0.00 0.00 60.65 62.73 3gyr s ILE 522 Cb 0.18 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.36 3gyr s ILE 522 CO 0.28 0.10 1.00 -0.22 0.00 0.00 0.00 174.94 176.10 3gyr s LEU 523 N 1.44 3.99 -0.21 2.97 0.20 -1.26 -4.27 118.68 121.53 3gyr s LEU 523 Ca 0.50 0.99 -0.06 0.00 0.69 0.00 0.00 54.13 56.24 3gyr s LEU 523 Cb -0.20 -3.43 -0.03 0.00 -0.43 0.00 0.00 46.19 42.10 3gyr s LEU 523 CO 0.23 -0.80 0.04 -1.00 -0.29 0.00 0.00 176.35 174.53 3gyr s HIS 524 N 3.44 3.09 -0.66 5.38 3.76 -0.85 -4.93 115.29 124.53 3gyr s HIS 524 Ca 0.42 -0.34 -0.26 0.00 -0.15 0.00 0.00 55.06 54.73 3gyr s HIS 524 Cb -0.13 -2.14 0.04 0.00 1.11 0.00 0.00 32.58 31.46 3gyr s HIS 524 CO 0.14 -0.21 1.15 -1.25 -0.85 0.00 0.00 174.74 173.72 3gyr s PRO 525 N 1.11 3.27 0.14 8.40 0.05 -1.26 -0.30 135.00 146.41 3gyr s PRO 525 Ca 0.03 -0.24 -0.23 0.00 0.05 0.00 0.00 61.00 60.62 3gyr s PRO 525 Cb -0.14 -4.13 -0.08 0.00 0.05 0.00 0.00 34.50 30.20 3gyr s PRO 525 CO 0.02 -1.88 0.70 -1.64 0.05 0.00 0.00 177.00 174.25 3gyr s MET 526 N 4.97 4.41 -0.02 4.56 -1.94 0.11 0.03 119.30 131.42 3gyr s MET 526 Ca 0.34 0.98 0.03 0.00 -1.71 0.00 0.00 55.69 55.33 3gyr s MET 526 Cb -0.10 -3.22 -0.00 0.00 2.01 0.00 0.00 34.83 33.51 3gyr s MET 526 CO 0.17 0.58 -0.11 -1.58 -0.01 0.00 0.00 175.02 174.07 3gyr s HIS 527 N -1.17 1.10 -0.17 -0.03 5.04 0.44 -0.64 115.29 119.86 3gyr s HIS 527 Ca 0.34 -0.27 0.01 0.00 -1.54 0.00 0.00 55.06 53.60 3gyr s HIS 527 Cb -0.21 -0.76 0.02 0.00 0.04 0.00 0.00 32.58 31.67 3gyr s HIS 527 CO 0.23 -0.09 -0.19 0.42 -2.34 0.00 0.00 174.74 172.77 3gyr s ILE 528 N 0.06 1.98 1.07 0.89 1.01 -1.10 -1.07 121.20 124.04 3gyr s ILE 528 Ca -0.01 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 3gyr s ILE 528 Cb -0.08 -1.80 0.23 0.00 0.01 0.00 0.00 42.46 40.82 3gyr s ILE 528 CO 0.00 0.53 1.06 -1.00 0.00 0.00 0.00 174.94 175.54 3gyr s HIS 529 N 1.29 1.68 0.00 3.97 3.76 -0.66 -4.34 115.29 120.99 3gyr s HIS 529 Ca 0.04 1.20 0.00 0.00 -0.15 0.00 0.00 55.06 56.15 3gyr s HIS 529 Cb -0.13 -3.17 0.00 0.00 1.11 0.00 0.00 32.58 30.39 3gyr s HIS 529 CO -0.12 -3.35 0.00 -0.11 -0.85 0.00 0.00 174.74 170.31 3gyr n LEU 530 N -4.55 0.00 -4.96 0.89 7.94 -1.26 -4.91 117.00 110.15 3gyr n LEU 530 Ca 0.05 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.72 3gyr n LEU 530 Cb 0.55 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.48 3gyr n LEU 530 CO 0.56 0.00 0.07 0.00 -1.11 0.00 0.00 177.39 176.91 3gyr s ALA 531 N 0.00 3.81 0.07 1.96 0.00 -1.26 -4.28 121.76 122.07 3gyr s ALA 531 Ca 0.00 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 3gyr s ALA 531 Cb 0.00 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 3gyr s ALA 531 CO 0.00 0.10 0.32 -0.51 0.00 0.00 0.00 175.76 175.67 3gyr s ASP 532 N -4.01 6.49 0.06 0.00 1.01 -1.26 -4.75 116.67 114.22 3gyr s ASP 532 Ca 0.37 0.56 0.01 0.00 0.71 0.00 0.00 52.55 54.20 3gyr s ASP 532 Cb -0.09 -2.08 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 3gyr s ASP 532 CO 0.33 0.16 -0.05 -0.36 0.21 0.00 0.00 175.17 175.45 3gyr s PHE 533 N -1.48 0.65 0.02 4.23 0.40 -0.40 -3.88 117.98 117.53 3gyr s PHE 533 Ca 0.34 -0.83 0.08 0.00 -0.60 0.00 0.00 56.93 55.93 3gyr s PHE 533 Cb -0.13 -0.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.97 3gyr s PHE 533 CO 0.21 -0.21 -0.25 -0.65 0.70 0.00 0.00 175.22 175.02 3gyr s GLN 534 N -3.09 1.97 -0.14 0.44 -0.21 0.40 -0.98 119.66 118.05 3gyr s GLN 534 Ca 0.02 -1.02 -0.29 0.00 0.02 0.00 0.00 55.36 54.09 3gyr s GLN 534 Cb 0.01 -2.05 -0.02 0.00 1.00 0.00 0.00 33.01 31.95 3gyr s GLN 534 CO -0.05 0.54 1.35 0.08 -2.12 0.00 0.00 175.29 175.09 3gyr s VAL 535 N -0.76 4.12 -0.09 1.09 1.01 -1.26 -1.01 120.40 123.50 3gyr s VAL 535 Ca 0.12 1.36 0.15 0.00 0.00 0.00 0.00 61.98 63.60 3gyr s VAL 535 Cb -0.10 -3.87 -0.19 0.00 0.00 0.00 0.00 36.38 32.21 3gyr s VAL 535 CO 0.01 -0.12 0.69 0.18 0.00 0.00 0.00 175.10 175.87 3gyr n LEU 536 N 6.70 0.80 0.00 3.92 4.77 0.10 -4.96 117.00 128.34 3gyr n LEU 536 Ca 0.15 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 3gyr n LEU 536 Cb 0.44 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3gyr n LEU 536 CO 0.57 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 3gyr n GLY 537 N 1.49 1.83 3.06 -0.72 0.00 -1.16 -4.98 105.19 104.71 3gyr n GLY 537 Ca -0.15 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 3gyr n GLY 537 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 538 N -2.00 0.89 0.02 1.61 0.52 -1.26 -0.58 118.95 118.14 3gyr s ARG 538 Ca 0.00 -0.40 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 3gyr s ARG 538 Cb 0.00 -0.86 -0.01 0.00 0.52 0.00 0.00 34.95 34.60 3gyr s ARG 538 CO 0.00 0.23 -0.11 -0.51 0.02 0.00 0.00 175.30 174.94 3gyr s ASP 539 N -0.28 1.27 0.41 0.23 1.11 -0.11 -4.12 116.67 115.17 3gyr s ASP 539 Ca 0.04 -0.33 -0.21 0.00 0.18 0.00 0.00 52.55 52.23 3gyr s ASP 539 Cb -0.04 -0.09 -0.11 0.00 1.07 0.00 0.00 42.92 43.75 3gyr s ASP 539 CO -0.00 0.04 0.92 0.00 1.18 0.00 0.00 175.17 177.31 3gyr s ALA 540 N -0.62 3.09 0.03 5.23 0.00 -1.26 -0.12 121.76 128.10 3gyr s ALA 540 Ca 0.01 0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.37 3gyr s ALA 540 Cb -0.06 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 3gyr s ALA 540 CO 0.00 0.16 -0.11 0.71 0.00 0.00 0.00 175.76 176.52 3gyr s TYR 541 N -2.11 0.94 -0.45 0.00 2.02 -1.10 -1.33 117.35 115.31 3gyr s TYR 541 Ca 0.60 -0.32 -0.24 0.00 -0.37 0.00 0.00 57.07 56.74 3gyr s TYR 541 Cb -0.10 -0.57 0.03 0.00 -0.40 0.00 0.00 41.96 40.92 3gyr s TYR 541 CO 0.14 -0.00 0.85 0.34 -1.57 0.00 0.00 175.55 175.30 3gyr s ASP 542 N -0.94 6.45 -0.13 2.29 2.15 0.24 -4.68 116.67 122.05 3gyr s ASP 542 Ca -0.01 -0.01 0.17 0.00 0.43 0.00 0.00 52.55 53.13 3gyr s ASP 542 Cb -0.07 -2.41 0.69 0.00 -0.30 0.00 0.00 42.92 40.83 3gyr s ASP 542 CO 0.01 -0.97 1.60 0.00 -0.17 0.00 0.00 175.17 175.64 3gyr n ALA 543 N 6.91 3.14 0.29 3.66 0.00 -1.26 -0.47 120.51 132.78 3gyr n ALA 543 Ca 0.04 -1.70 0.14 0.00 0.00 0.00 0.00 53.44 51.92 3gyr n ALA 543 Cb 0.48 -0.95 0.87 0.00 0.00 0.00 0.00 19.45 19.85 3gyr n ALA 543 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gyr h SER 544 N 3.69 0.00 0.58 0.00 4.64 -1.92 -2.05 113.55 118.49 3gyr h SER 544 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gyr h SER 544 Cb 1.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 3gyr h SER 544 CO 0.26 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 3gyr n GLY 545 N -1.22 -1.09 3.65 -0.77 0.00 -1.26 -4.69 105.19 99.82 3gyr n GLY 545 Ca -0.03 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3gyr n GLY 545 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gyr s PHE 546 N -2.98 3.09 -0.41 1.61 2.19 -0.77 -0.31 117.98 120.39 3gyr s PHE 546 Ca 0.09 1.21 -0.18 0.00 0.33 0.00 0.00 56.93 58.39 3gyr s PHE 546 Cb 0.11 -3.50 0.02 0.00 -1.31 0.00 0.00 43.02 38.34 3gyr s PHE 546 CO 0.31 -1.03 0.46 0.34 1.83 0.00 0.00 175.22 177.14 3gyr s ASP 547 N 1.70 6.22 0.23 6.13 -1.08 0.17 -4.92 116.67 125.11 3gyr s ASP 547 Ca 0.49 -0.53 -0.07 0.00 -0.52 0.00 0.00 52.55 51.92 3gyr s ASP 547 Cb -0.16 -2.24 0.27 0.00 -1.46 0.00 0.00 42.92 39.33 3gyr s ASP 547 CO 0.12 -0.57 1.85 -0.07 0.52 0.00 0.00 175.17 177.02 3gyr h LEU 548 N 9.11 0.78 -0.91 -1.34 4.07 -1.90 0.22 115.31 125.34 3gyr h LEU 548 Ca -0.27 0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.66 3gyr h LEU 548 Cb 1.11 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 3gyr h LEU 548 CO 0.79 0.52 -0.22 0.00 -1.08 0.00 0.00 178.44 178.45 3gyr h ALA 549 N 1.36 0.97 0.10 1.53 0.00 -1.93 0.85 119.26 122.15 3gyr h ALA 549 Ca 0.34 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 3gyr h ALA 549 Cb 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3gyr h ALA 549 CO -0.15 0.28 -1.32 1.25 0.00 0.00 0.00 179.25 179.31 3gyr h LEU 550 N 0.00 0.33 0.86 0.00 5.85 -1.66 -3.43 115.31 117.25 3gyr h LEU 550 Ca -0.00 -0.39 -0.14 0.00 0.84 0.00 0.00 57.88 58.18 3gyr h LEU 550 Cb 0.83 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 3gyr h LEU 550 CO 0.03 1.31 -0.19 0.61 -0.34 0.00 0.00 178.44 179.86 3gyr n GLY 551 N 1.55 0.10 3.76 3.75 0.00 0.65 -3.82 105.19 111.18 3gyr n GLY 551 Ca -0.10 -0.56 -0.04 0.00 0.00 0.00 0.00 46.02 45.32 3gyr n GLY 551 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gyr s GLY 552 N -2.71 -0.22 0.02 -0.02 0.00 -1.15 0.29 107.32 103.52 3gyr s GLY 552 Ca 0.02 0.09 -0.24 0.00 0.00 0.00 0.00 44.72 44.59 3gyr s GLY 552 CO 0.02 0.00 0.75 -1.59 0.00 0.00 0.00 173.10 172.28 3gyr s THR 553 N -3.38 4.82 -0.20 0.90 2.01 -0.35 0.46 115.64 119.90 3gyr s THR 553 Ca 0.12 1.58 -0.23 0.00 0.31 0.00 0.00 61.69 63.47 3gyr s THR 553 Cb -0.02 -4.09 -0.20 0.00 0.01 0.00 0.00 72.50 68.19 3gyr s THR 553 CO 0.02 0.34 0.31 0.03 -0.69 0.00 0.00 174.62 174.63 3gyr h ARG 554 N 5.94 0.01 -6.69 4.92 3.08 -1.02 -3.41 114.38 117.20 3gyr h ARG 554 Ca -0.43 -0.01 -0.69 0.00 0.07 0.00 0.00 59.98 58.92 3gyr h ARG 554 Cb 1.20 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.03 3gyr h ARG 554 CO 0.72 1.01 -0.84 0.95 -1.07 0.00 0.00 179.97 180.74 3gyr s THR 555 N -2.34 2.52 0.20 2.04 -4.23 -1.23 -4.90 115.64 107.69 3gyr s THR 555 Ca -0.27 -1.38 -0.30 0.00 -1.18 0.00 0.00 61.69 58.57 3gyr s THR 555 Cb 0.04 -2.06 -0.17 0.00 1.34 0.00 0.00 72.50 71.66 3gyr s THR 555 CO 0.61 0.28 0.73 -2.65 -0.54 0.00 0.00 174.62 173.05 3gyr n PRO 556 N 1.43 0.37 -1.68 3.99 -0.02 -1.26 -4.27 135.00 133.55 3gyr n PRO 556 Ca -0.17 0.13 -0.46 0.00 -2.02 0.00 0.00 63.50 60.98 3gyr n PRO 556 Cb 0.52 -1.30 -0.04 0.00 -0.02 0.00 0.00 33.50 32.66 3gyr n PRO 556 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gyr n VAL 557 N 0.32 0.40 -4.28 -1.45 0.31 0.69 -4.63 118.33 109.69 3gyr n VAL 557 Ca 0.16 -0.07 -0.34 0.00 -0.01 0.00 0.00 64.34 64.08 3gyr n VAL 557 Cb 0.25 -1.86 -0.13 0.00 -0.91 0.00 0.00 33.84 31.19 3gyr n VAL 557 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gyr s ARG 558 N 3.01 3.53 0.15 5.55 0.52 0.38 -0.29 118.95 131.80 3gyr s ARG 558 Ca 0.87 -0.58 -0.31 0.00 -0.52 0.00 0.00 55.73 55.18 3gyr s ARG 558 Cb -0.63 -2.92 -0.09 0.00 0.52 0.00 0.00 34.95 31.83 3gyr s ARG 558 CO 0.45 0.07 1.54 -1.17 0.02 0.00 0.00 175.30 176.21 3gyr s LEU 559 N 0.78 4.37 -0.84 2.53 0.20 -0.59 0.79 118.68 125.93 3gyr s LEU 559 Ca -0.02 2.54 -0.04 0.00 0.69 0.00 0.00 54.13 57.31 3gyr s LEU 559 Cb -0.15 -3.59 0.21 0.00 -0.43 0.00 0.00 46.19 42.23 3gyr s LEU 559 CO 0.02 -0.79 0.72 -0.62 -0.29 0.00 0.00 176.35 175.38 3gyr s ASP 560 N 1.22 5.97 0.00 3.68 2.15 -0.44 -4.83 116.67 124.42 3gyr s ASP 560 Ca 0.69 -3.40 0.00 0.00 0.43 0.00 0.00 52.55 50.28 3gyr s ASP 560 Cb -0.42 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 3gyr s ASP 560 CO 0.31 -0.27 0.50 -0.81 -0.17 0.00 0.00 175.17 174.73 3gyr n PRO 561 N 2.81 0.66 -0.30 4.34 -0.04 -1.26 -1.86 135.00 139.35 3gyr n PRO 561 Ca 0.17 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.71 3gyr n PRO 561 Cb 0.38 -1.16 0.14 0.00 -0.04 0.00 0.00 33.50 32.82 3gyr n PRO 561 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3gyr n ASP 562 N -0.18 1.91 -4.02 3.54 5.68 -1.26 -4.58 116.55 117.64 3gyr n ASP 562 Ca 0.00 -3.15 -0.33 0.00 -0.50 0.00 0.00 54.79 50.81 3gyr n ASP 562 Cb 0.08 -0.43 -0.11 0.00 -1.14 0.00 0.00 41.12 39.52 3gyr n ASP 562 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3gyr s THR 563 N -2.58 3.23 0.48 2.12 2.01 -0.78 -5.12 115.64 115.00 3gyr s THR 563 Ca 0.30 -3.35 -0.20 0.00 0.31 0.00 0.00 61.69 58.76 3gyr s THR 563 Cb 0.28 -3.14 -0.09 0.00 0.01 0.00 0.00 72.50 69.56 3gyr s THR 563 CO -0.01 -0.88 1.02 -2.84 -0.69 0.00 0.00 174.62 171.22 3gyr s PRO 564 N -0.44 3.89 -0.44 4.92 0.02 -1.26 -3.98 135.00 137.71 3gyr s PRO 564 Ca 0.19 1.28 0.04 0.00 0.02 0.00 0.00 61.00 62.53 3gyr s PRO 564 Cb -0.20 -2.11 0.12 0.00 0.02 0.00 0.00 34.50 32.33 3gyr s PRO 564 CO -0.04 -0.34 0.17 0.08 -0.33 0.00 0.00 177.00 176.53 3gyr s VAL 565 N -2.07 2.44 0.64 3.83 1.01 -1.26 -4.94 120.40 120.05 3gyr s VAL 565 Ca 0.66 -2.89 -0.15 0.00 0.00 0.00 0.00 61.98 59.60 3gyr s VAL 565 Cb -0.14 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 3gyr s VAL 565 CO 0.19 -0.71 1.09 -2.16 0.00 0.00 0.00 175.10 173.52 3gyr s PRO 566 N 0.24 2.97 0.34 2.72 0.04 -1.26 -4.36 135.00 135.70 3gyr s PRO 566 Ca 0.14 1.34 -0.27 0.00 0.04 0.00 0.00 61.00 62.25 3gyr s PRO 566 Cb -0.23 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 3gyr s PRO 566 CO -0.04 -1.10 1.14 -0.51 0.04 0.00 0.00 177.00 176.53 3gyr s LEU 567 N -4.73 4.36 0.29 -3.56 1.43 -1.26 -4.96 118.68 110.24 3gyr s LEU 567 Ca 0.66 2.32 -0.30 0.00 -1.03 0.00 0.00 54.13 55.78 3gyr s LEU 567 Cb -0.19 -3.84 -0.12 0.00 0.03 0.00 0.00 46.19 42.07 3gyr s LEU 567 CO 0.40 -0.42 1.52 0.00 0.23 0.00 0.00 176.35 178.08 3gyr n ALA 568 N 0.59 2.05 0.32 4.21 0.00 -1.26 -4.87 120.51 121.55 3gyr n ALA 568 Ca 0.02 0.38 0.21 0.00 0.00 0.00 0.00 53.44 54.04 3gyr n ALA 568 Cb 0.46 -2.39 1.12 0.00 0.00 0.00 0.00 19.45 18.63 3gyr n ALA 568 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3gyr h PRO 569 N 4.39 0.00 -0.60 0.00 0.11 -1.94 -2.40 132.00 131.55 3gyr h PRO 569 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gyr h PRO 569 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gyr h PRO 569 CO 0.76 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.82 3gyr n ASN 570 N -3.26 5.53 -0.10 -2.05 6.94 -1.26 -4.34 115.26 116.72 3gyr n ASN 570 Ca -0.03 -2.88 0.09 0.00 -0.02 0.00 0.00 54.58 51.75 3gyr n ASN 570 Cb 0.11 -0.68 0.14 0.00 -2.36 0.00 0.00 39.78 36.99 3gyr n ASN 570 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 3gyr n GLU 571 N 0.62 1.24 -0.08 -3.83 2.13 -0.90 -4.57 120.64 115.25 3gyr n GLU 571 Ca 0.27 -2.54 0.10 0.00 0.66 0.00 0.00 57.16 55.65 3gyr n GLU 571 Cb 1.15 -1.46 0.13 0.00 0.27 0.00 0.00 31.44 31.53 3gyr n GLU 571 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3gyr n LEU 572 N -1.37 2.97 0.00 4.31 4.77 -1.26 -4.39 117.00 122.02 3gyr n LEU 572 Ca 0.15 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 3gyr n LEU 572 Cb 0.64 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3gyr n LEU 572 CO 0.01 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3gyr n GLY 573 N 1.22 1.91 3.68 -0.72 0.00 -1.26 -4.81 105.19 105.21 3gyr n GLY 573 Ca 0.14 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 3gyr n GLY 573 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gyr s HIS 574 N 4.18 3.38 0.14 1.61 3.76 -1.26 -4.59 115.29 122.51 3gyr s HIS 574 Ca 0.00 0.61 0.07 0.00 -0.15 0.00 0.00 55.06 55.59 3gyr s HIS 574 Cb 0.00 -2.50 -0.04 0.00 1.11 0.00 0.00 32.58 31.15 3gyr s HIS 574 CO 0.00 0.02 -0.17 0.15 -0.85 0.00 0.00 174.74 173.89 3gyr s LYS 575 N 1.22 1.15 0.00 1.40 -0.14 -0.16 -0.72 119.74 122.49 3gyr s LYS 575 Ca 0.19 -1.31 0.00 0.00 -1.36 0.00 0.00 55.97 53.48 3gyr s LYS 575 Cb -0.15 -1.14 0.00 0.00 -1.68 0.00 0.00 37.83 34.86 3gyr s LYS 575 CO 0.08 0.23 0.11 -0.40 -0.76 0.00 0.00 175.35 174.60 3gyr n ASP 576 N 0.46 0.21 -4.04 2.83 5.68 -1.26 -1.27 116.55 119.16 3gyr n ASP 576 Ca -0.15 -0.71 -0.27 0.00 -0.50 0.00 0.00 54.79 53.16 3gyr n ASP 576 Cb 0.57 0.11 -0.17 0.00 -1.14 0.00 0.00 41.12 40.49 3gyr n ASP 576 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3gyr s VAL 577 N -0.11 1.33 -0.12 2.12 1.01 -1.26 -2.70 120.40 120.68 3gyr s VAL 577 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3gyr s VAL 577 Cb 0.00 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3gyr s VAL 577 CO 0.00 0.40 -0.12 -0.36 0.00 0.00 0.00 175.10 175.02 3gyr s PHE 578 N 0.82 1.82 -0.02 5.22 0.40 0.19 -4.90 117.98 121.52 3gyr s PHE 578 Ca -0.11 -0.91 -0.30 0.00 -0.60 0.00 0.00 56.93 55.01 3gyr s PHE 578 Cb -0.15 -1.38 -0.09 0.00 0.51 0.00 0.00 43.02 41.91 3gyr s PHE 578 CO 0.02 -0.52 2.01 1.04 0.70 0.00 0.00 175.22 178.46 3gyr n GLN 579 N 4.55 2.66 -3.64 0.44 6.02 -1.26 -0.72 117.38 125.44 3gyr n GLN 579 Ca -0.17 0.95 -0.39 0.00 -0.01 0.00 0.00 57.00 57.38 3gyr n GLN 579 Cb 0.51 -3.01 -0.08 0.00 1.02 0.00 0.00 30.24 28.68 3gyr n GLN 579 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3gyr s VAL 580 N 5.02 4.05 0.86 5.09 1.01 0.59 -4.93 120.40 132.08 3gyr s VAL 580 Ca 0.91 -2.72 -0.12 0.00 0.00 0.00 0.00 61.98 60.05 3gyr s VAL 580 Cb -0.45 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.42 3gyr s VAL 580 CO 0.42 -0.88 1.15 -2.16 0.00 0.00 0.00 175.10 173.63 3gyr s PRO 581 N 0.17 1.59 0.62 2.72 0.05 -1.26 -2.00 135.00 136.89 3gyr s PRO 581 Ca 0.16 0.23 0.00 0.00 0.05 0.00 0.00 61.00 61.44 3gyr s PRO 581 Cb -0.19 -1.90 0.00 0.00 0.05 0.00 0.00 34.50 32.46 3gyr s PRO 581 CO -0.04 -1.88 0.00 0.41 0.05 0.00 0.00 177.00 175.54 3gyr n GLY 582 N -2.70 -1.78 3.56 0.56 0.00 -1.26 -3.94 105.19 99.63 3gyr n GLY 582 Ca 0.07 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 3gyr n GLY 582 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gyr s PRO 583 N -1.62 2.99 -0.00 1.61 0.04 -1.06 -4.30 135.00 132.66 3gyr s PRO 583 Ca 0.00 0.49 -0.29 0.00 0.04 0.00 0.00 61.00 61.24 3gyr s PRO 583 Cb 0.00 -4.25 0.07 0.00 0.04 0.00 0.00 34.50 30.36 3gyr s PRO 583 CO 0.00 -2.31 0.68 -1.14 0.04 0.00 0.00 177.00 174.27 3gyr s GLN 584 N 6.23 1.08 -0.07 4.56 0.74 0.35 -2.70 119.66 129.85 3gyr s GLN 584 Ca 0.58 0.06 0.04 0.00 0.05 0.00 0.00 55.36 56.09 3gyr s GLN 584 Cb -0.12 0.51 -0.02 0.00 1.10 0.00 0.00 33.01 34.48 3gyr s GLN 584 CO 0.22 -0.38 -0.17 0.20 -0.55 0.00 0.00 175.29 174.61 3gyr s GLY 585 N -1.59 1.46 -0.05 2.59 0.00 0.82 -0.33 107.32 110.22 3gyr s GLY 585 Ca -0.07 -0.98 0.05 0.00 0.00 0.00 0.00 44.72 43.72 3gyr s GLY 585 CO 0.04 -0.60 -0.21 -2.27 0.00 0.00 0.00 173.10 170.05 3gyr s LEU 586 N -0.31 1.99 -0.19 0.66 2.96 0.54 -0.93 118.68 123.40 3gyr s LEU 586 Ca 0.02 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3gyr s LEU 586 Cb -0.13 -1.18 -0.01 0.00 0.50 0.00 0.00 46.19 45.37 3gyr s LEU 586 CO 0.03 0.20 -0.08 -0.13 -1.32 0.00 0.00 176.35 175.04 3gyr s ARG 587 N -0.06 3.37 0.15 1.98 0.52 0.25 -0.78 118.95 124.39 3gyr s ARG 587 Ca -0.04 -0.65 0.09 0.00 -0.52 0.00 0.00 55.73 54.61 3gyr s ARG 587 Cb -0.13 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 3gyr s ARG 587 CO 0.03 -0.05 -0.21 0.14 0.02 0.00 0.00 175.30 175.23 3gyr s VAL 588 N 1.06 1.92 0.03 3.52 -7.23 -0.79 0.02 120.40 118.92 3gyr s VAL 588 Ca 0.00 -1.81 0.06 0.00 -1.81 0.00 0.00 61.98 58.43 3gyr s VAL 588 Cb -0.15 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 3gyr s VAL 588 CO -0.01 -0.17 -0.19 -0.32 -0.31 0.00 0.00 175.10 174.10 3gyr s MET 589 N -2.44 1.34 0.10 4.82 1.75 -0.18 -1.24 119.30 123.45 3gyr s MET 589 Ca 0.14 -0.84 -0.19 0.00 -1.25 0.00 0.00 55.69 53.55 3gyr s MET 589 Cb -0.08 -1.40 0.05 0.00 2.84 0.00 0.00 34.83 36.24 3gyr s MET 589 CO 0.06 0.36 0.47 0.20 -0.65 0.00 0.00 175.02 175.46 3gyr s GLY 590 N -0.98 -0.37 -0.22 2.11 0.00 -0.72 -0.45 107.32 106.69 3gyr s GLY 590 Ca 0.06 0.25 -0.08 0.00 0.00 0.00 0.00 44.72 44.95 3gyr s GLY 590 CO 0.01 -0.03 0.09 1.25 0.00 0.00 0.00 173.10 174.42 3gyr s LYS 591 N -3.30 3.86 -0.67 2.90 2.20 -1.25 -1.64 119.74 121.84 3gyr s LYS 591 Ca -0.00 -0.38 -0.19 0.00 -0.36 0.00 0.00 55.97 55.03 3gyr s LYS 591 Cb 0.00 -3.34 0.12 0.00 -1.51 0.00 0.00 37.83 33.10 3gyr s LYS 591 CO -0.08 0.03 0.79 -0.06 -0.36 0.00 0.00 175.35 175.66 3gyr s PHE 592 N 1.06 3.07 -0.02 4.03 0.08 -0.56 -4.51 117.98 121.14 3gyr s PHE 592 Ca 0.05 -1.10 0.00 0.00 0.12 0.00 0.00 56.93 56.00 3gyr s PHE 592 Cb -0.14 -4.05 0.02 0.00 -0.57 0.00 0.00 43.02 38.28 3gyr s PHE 592 CO 0.03 -1.32 0.02 0.34 -0.10 0.00 0.00 175.22 174.19 3gyr s ASP 593 N 3.49 0.10 0.00 1.36 2.15 -1.26 0.69 116.67 123.19 3gyr s ASP 593 Ca 0.16 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.16 3gyr s ASP 593 Cb -0.20 -0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.35 3gyr s ASP 593 CO 0.03 -0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.54 3gyr n GLY 594 N 3.93 0.45 3.71 2.66 0.00 -1.26 -4.95 105.19 109.73 3gyr n GLY 594 Ca -0.24 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 3gyr n GLY 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyr s ALA 595 N -2.00 -1.48 0.23 4.61 0.00 -1.26 -4.72 121.76 117.14 3gyr s ALA 595 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.11 3gyr s ALA 595 Cb 0.00 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 3gyr s ALA 595 CO 0.00 -0.96 -0.05 0.71 0.00 0.00 0.00 175.76 175.46 3gyr s TYR 596 N -3.62 1.65 -2.27 0.00 2.02 -1.26 -4.84 117.35 109.03 3gyr s TYR 596 Ca 0.09 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 56.00 3gyr s TYR 596 Cb -0.03 -0.92 0.00 0.00 -0.40 0.00 0.00 41.96 40.61 3gyr s TYR 596 CO 0.00 0.12 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 3gyr n GLY 597 N -0.43 0.66 3.58 0.71 0.00 0.74 -1.14 105.19 109.32 3gyr n GLY 597 Ca -0.06 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.58 3gyr n GLY 597 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gyr s ARG 598 N -0.91 3.88 0.09 1.61 3.52 -1.26 -0.56 118.95 125.32 3gyr s ARG 598 Ca 0.00 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 3gyr s ARG 598 Cb 0.00 -3.21 -0.00 0.00 -1.56 0.00 0.00 34.95 30.18 3gyr s ARG 598 CO 0.00 0.18 0.04 1.19 -0.81 0.00 0.00 175.30 175.90 3gyr n PHE 599 N 3.81 0.01 -4.14 5.12 3.72 0.26 -4.53 117.46 121.70 3gyr n PHE 599 Ca -0.16 -0.58 -0.16 0.00 -0.05 0.00 0.00 57.45 56.49 3gyr n PHE 599 Cb 0.52 0.01 -0.12 0.00 -0.94 0.00 0.00 39.48 38.95 3gyr n PHE 599 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 3gyr s MET 600 N -2.34 0.69 0.10 -1.08 1.75 -1.26 -1.33 119.30 115.84 3gyr s MET 600 Ca 0.05 -0.82 0.04 0.00 -1.25 0.00 0.00 55.69 53.71 3gyr s MET 600 Cb 0.00 -0.60 -0.04 0.00 2.84 0.00 0.00 34.83 37.04 3gyr s MET 600 CO 0.04 0.13 -0.11 1.52 -0.65 0.00 0.00 175.02 175.95 3gyr s TYR 601 N -1.22 1.10 -0.16 4.11 -0.85 0.10 -1.66 117.35 118.76 3gyr s TYR 601 Ca -0.05 -0.64 -0.34 0.00 -0.52 0.00 0.00 57.07 55.52 3gyr s TYR 601 Cb -0.09 -0.60 0.14 0.00 0.38 0.00 0.00 41.96 41.79 3gyr s TYR 601 CO 0.01 0.02 1.26 -3.38 -1.52 0.00 0.00 175.55 171.94 3gyr s HIS 602 N -2.37 -0.09 0.51 -3.49 -3.43 -0.23 0.17 115.29 106.36 3gyr s HIS 602 Ca 0.05 0.03 -0.22 0.00 -0.80 0.00 0.00 55.06 54.13 3gyr s HIS 602 Cb -0.03 0.52 -0.06 0.00 -1.43 0.00 0.00 32.58 31.58 3gyr s HIS 602 CO 0.00 -0.19 1.21 0.00 -2.00 0.00 0.00 174.74 173.76 3gyr n HIS 604 N -0.88 1.50 -2.49 0.00 -0.00 0.10 -4.38 115.22 109.08 3gyr n HIS 604 Ca 0.09 -0.73 -0.43 0.00 0.46 0.00 0.00 57.72 57.12 3gyr n HIS 604 Cb 0.48 -0.36 -0.02 0.00 -0.12 0.00 0.00 29.99 29.97 3gyr n HIS 604 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3gyr s LEU 605 N -2.45 3.81 0.36 0.27 1.43 -1.26 -4.73 118.68 116.11 3gyr s LEU 605 Ca 0.48 0.99 0.04 0.00 -1.03 0.00 0.00 54.13 54.61 3gyr s LEU 605 Cb 0.35 -3.54 0.69 0.00 0.03 0.00 0.00 46.19 43.72 3gyr s LEU 605 CO 0.16 -1.12 2.00 -0.07 0.23 0.00 0.00 176.35 177.55 3gyr h LEU 606 N 10.97 0.69 -1.40 1.79 3.38 -1.61 0.17 115.31 129.29 3gyr h LEU 606 Ca -0.25 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 3gyr h LEU 606 Cb 1.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3gyr h LEU 606 CO 1.06 0.48 -0.14 -0.33 0.09 0.00 0.00 178.44 179.60 3gyr h GLU 607 N 0.80 0.22 0.08 1.13 3.07 -1.92 -1.39 114.58 116.58 3gyr h GLU 607 Ca 0.25 -0.05 -0.15 0.00 -0.50 0.00 0.00 59.36 58.91 3gyr h GLU 607 Cb 0.01 -0.03 0.02 0.00 -0.84 0.00 0.00 28.75 27.91 3gyr h GLU 607 CO -0.06 0.37 -0.64 0.45 -1.40 0.00 0.00 179.01 177.72 3gyr h HIS 608 N 0.21 0.48 -0.69 4.33 3.86 -1.34 -3.02 115.15 118.97 3gyr h HIS 608 Ca 0.04 -0.32 0.15 0.00 -1.16 0.00 0.00 60.37 59.08 3gyr h HIS 608 Cb 0.38 -0.03 -0.13 0.00 1.06 0.00 0.00 27.41 28.69 3gyr h HIS 608 CO 0.01 1.21 -0.09 1.49 0.86 0.00 0.00 177.93 181.41 3gyr h GLU 609 N -0.38 0.05 0.00 2.45 4.81 -0.50 -0.65 114.58 120.36 3gyr h GLU 609 Ca -0.10 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3gyr h GLU 609 Cb 1.45 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 3gyr h GLU 609 CO 0.12 0.03 -0.04 -0.44 -0.73 0.00 0.00 179.01 177.96 3gyr h ASP 610 N 0.05 0.00 -0.94 1.04 3.32 -1.35 -3.00 116.42 115.54 3gyr h ASP 610 Ca 0.35 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.84 3gyr h ASP 610 Cb 0.58 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.84 3gyr h ASP 610 CO -0.66 0.04 0.63 0.23 -1.72 0.00 0.00 179.24 177.76 3gyr n MET 611 N -3.15 2.47 -0.28 3.56 2.81 -0.29 -4.58 117.12 117.65 3gyr n MET 611 Ca 0.00 -3.20 0.00 0.00 -1.81 0.00 0.00 57.70 52.70 3gyr n MET 611 Cb 0.31 -2.20 0.00 0.00 -0.71 0.00 0.00 33.22 30.61 3gyr n MET 611 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gyr n GLY 612 N -1.03 0.71 2.65 3.03 0.00 -1.13 -4.97 105.19 104.45 3gyr n GLY 612 Ca 0.59 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.19 3gyr n GLY 612 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3gyr n MET 613 N -2.00 3.39 -3.60 1.61 0.00 -0.93 -2.31 117.12 113.28 3gyr n MET 613 Ca 0.00 -2.84 -0.13 0.00 -0.00 0.00 0.00 57.70 54.73 3gyr n MET 613 Cb 0.00 -3.03 -0.07 0.00 0.00 0.00 0.00 33.22 30.12 3gyr n MET 613 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 3gyr s MET 614 N 1.85 0.76 0.01 2.12 0.00 -1.26 -2.77 119.30 120.01 3gyr s MET 614 Ca 0.50 0.63 0.00 0.00 0.00 0.00 0.00 55.69 56.82 3gyr s MET 614 Cb 0.14 0.37 -0.01 0.00 0.00 0.00 0.00 34.83 35.33 3gyr s MET 614 CO -0.06 -0.15 -0.02 1.03 0.00 0.00 0.00 175.02 175.82 3gyr s ARG 615 N -0.17 0.20 0.58 4.11 1.81 0.13 -2.77 118.95 122.83 3gyr s ARG 615 Ca -0.02 -0.40 -0.09 0.00 -1.72 0.00 0.00 55.73 53.50 3gyr s ARG 615 Cb -0.03 0.07 -0.03 0.00 -0.45 0.00 0.00 34.95 34.50 3gyr s ARG 615 CO 0.01 -0.03 0.95 -1.25 -0.68 0.00 0.00 175.30 174.29 3gyr s PRO 616 N -0.96 3.53 0.06 3.54 0.04 -1.26 -0.73 135.00 139.21 3gyr s PRO 616 Ca -0.11 0.52 -0.03 0.00 0.04 0.00 0.00 61.00 61.43 3gyr s PRO 616 Cb -0.07 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 3gyr s PRO 616 CO -0.01 -0.47 0.03 -0.59 0.04 0.00 0.00 177.00 176.01 3gyr s PHE 617 N -3.03 0.39 -0.10 0.56 -0.71 -0.44 -4.48 117.98 110.18 3gyr s PHE 617 Ca 0.52 -0.88 0.03 0.00 -1.04 0.00 0.00 56.93 55.57 3gyr s PHE 617 Cb -0.11 -0.28 -0.01 0.00 -1.21 0.00 0.00 43.02 41.41 3gyr s PHE 617 CO 0.50 -0.41 -0.21 0.08 -1.34 0.00 0.00 175.22 173.85 3gyr s VAL 618 N -3.67 2.37 -0.22 -2.49 1.01 0.15 -0.57 120.40 116.97 3gyr s VAL 618 Ca 0.04 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 3gyr s VAL 618 Cb 0.06 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3gyr s VAL 618 CO -0.09 0.55 -0.01 -0.69 0.00 0.00 0.00 175.10 174.87 3gyr s VAL 619 N 0.20 3.73 0.19 2.92 1.01 0.27 0.31 120.40 129.04 3gyr s VAL 619 Ca -0.13 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.52 3gyr s VAL 619 Cb -0.16 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 3gyr s VAL 619 CO 0.07 0.40 -0.04 0.00 0.00 0.00 0.00 175.10 175.53 3gyr s MET 620 N 1.42 1.21 0.36 2.72 0.23 -0.38 -0.18 119.30 124.68 3gyr s MET 620 Ca 0.05 -1.58 -0.28 0.00 -1.03 0.00 0.00 55.69 52.85 3gyr s MET 620 Cb -0.15 -0.59 -0.11 0.00 -1.53 0.00 0.00 34.83 32.45 3gyr s MET 620 CO -0.00 -0.03 1.46 -2.30 -2.03 0.00 0.00 175.02 172.11 3gyr n PRO 621 N -0.32 2.57 -0.35 3.16 -0.02 -1.26 -0.05 135.00 138.73 3gyr n PRO 621 Ca -0.07 0.90 0.14 0.00 -2.02 0.00 0.00 63.50 62.45 3gyr n PRO 621 Cb 0.63 -2.61 0.34 0.00 -0.02 0.00 0.00 33.50 31.84 3gyr n PRO 621 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3gyr h PRO 622 N 3.02 0.71 -0.17 0.52 0.11 -1.91 -0.06 132.00 134.21 3gyr h PRO 622 Ca -0.50 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 3gyr h PRO 622 Cb 1.25 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3gyr h PRO 622 CO 0.65 0.47 0.02 0.93 -0.21 0.00 0.00 178.00 179.86 3gyr h GLU 623 N 0.73 0.24 0.00 1.05 3.07 -1.98 -1.82 114.58 115.87 3gyr h GLU 623 Ca 0.58 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 3gyr h GLU 623 Cb 0.95 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 3gyr h GLU 623 CO -0.38 0.25 -0.08 0.00 -1.40 0.00 0.00 179.01 177.40 3gyr h ALA 624 N 1.79 0.96 0.00 3.43 0.00 -1.37 -3.24 119.26 120.82 3gyr h ALA 624 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3gyr h ALA 624 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3gyr h ALA 624 CO -0.00 0.00 -0.39 1.25 0.00 0.00 0.00 179.25 180.11 3gyr h LEU 625 N 0.00 0.00 -1.98 0.00 5.85 -0.91 -2.59 115.31 115.69 3gyr h LEU 625 Ca 0.00 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.88 3gyr h LEU 625 Cb 0.97 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3gyr h LEU 625 CO 0.00 0.39 0.48 0.11 -0.34 0.00 0.00 178.44 179.08 3gyr h LYS 626 N 0.00 0.00 -0.48 1.25 1.79 -1.57 -0.79 116.57 116.77 3gyr h LYS 626 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gyr h LYS 626 Cb 0.89 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 3gyr h LYS 626 CO 0.05 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.61 3gyr n PHE 627 N -3.96 0.63 -0.29 -1.35 3.72 -0.97 -5.18 117.46 110.06 3gyr n PHE 627 Ca 0.10 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 3gyr n PHE 627 Cb 0.70 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 3gyr n PHE 627 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24