#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhi n PRO 47 N 0.00 -0.38 -4.09 0.03 -0.04 -1.26 -4.60 135.00 124.66 1qhi n PRO 47 Ca 0.00 -0.05 -0.31 0.00 -0.04 0.00 0.00 63.50 63.10 1qhi n PRO 47 Cb 0.00 -2.26 -0.07 0.00 -0.04 0.00 0.00 33.50 31.13 1qhi n PRO 47 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1qhi s THR 48 N -2.55 4.56 0.23 0.52 -4.23 -1.26 -1.43 115.64 111.48 1qhi s THR 48 Ca 0.65 -0.63 0.11 0.00 -1.18 0.00 0.00 61.69 60.64 1qhi s THR 48 Cb -0.23 -3.14 -0.05 0.00 1.34 0.00 0.00 72.50 70.42 1qhi s THR 48 CO 0.60 0.23 -0.20 -0.22 -0.54 0.00 0.00 174.62 174.48 1qhi s LEU 49 N -2.08 2.51 -0.16 4.79 2.96 0.15 -0.06 118.68 126.79 1qhi s LEU 49 Ca 0.26 -0.95 -0.02 0.00 -0.22 0.00 0.00 54.13 53.20 1qhi s LEU 49 Cb -0.12 -1.03 0.05 0.00 0.50 0.00 0.00 46.19 45.59 1qhi s LEU 49 CO 0.18 0.03 0.02 -0.22 -1.32 0.00 0.00 176.35 175.04 1qhi s LEU 50 N -3.10 1.11 -0.14 -0.68 1.98 -0.58 -1.86 118.68 115.41 1qhi s LEU 50 Ca 0.24 -0.64 -0.07 0.00 -2.89 0.00 0.00 54.13 50.77 1qhi s LEU 50 Cb -0.06 -0.60 -0.04 0.00 0.66 0.00 0.00 46.19 46.15 1qhi s LEU 50 CO 0.11 -0.27 0.10 -0.13 -1.89 0.00 0.00 176.35 174.28 1qhi s ARG 51 N 1.85 3.64 -0.06 1.98 0.52 -1.26 0.88 118.95 126.51 1qhi s ARG 51 Ca 0.01 -0.23 -0.01 0.00 -0.52 0.00 0.00 55.73 54.98 1qhi s ARG 51 Cb -0.16 -3.19 0.03 0.00 0.52 0.00 0.00 34.95 32.15 1qhi s ARG 51 CO -0.07 0.57 0.00 0.08 0.02 0.00 0.00 175.30 175.90 1qhi s VAL 52 N -0.44 0.32 -0.33 3.52 1.01 0.14 -3.97 120.40 120.66 1qhi s VAL 52 Ca 0.11 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 1qhi s VAL 52 Cb -0.12 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.81 1qhi s VAL 52 CO 0.02 0.24 0.13 -0.31 0.00 0.00 0.00 175.10 175.18 1qhi s TYR 53 N 1.81 3.21 -0.37 5.22 1.51 -0.37 0.53 117.35 128.89 1qhi s TYR 53 Ca 0.02 -1.05 -0.25 0.00 -1.01 0.00 0.00 57.07 54.78 1qhi s TYR 53 Cb -0.13 -2.32 0.01 0.00 -0.11 0.00 0.00 41.96 39.41 1qhi s TYR 53 CO -0.04 -0.62 0.87 0.42 -1.11 0.00 0.00 175.55 175.07 1qhi s ILE 54 N 1.50 4.63 0.07 2.71 -1.09 -0.30 -0.78 121.20 127.95 1qhi s ILE 54 Ca 0.01 1.06 0.01 0.00 -2.23 0.00 0.00 60.65 59.50 1qhi s ILE 54 Cb -0.18 -4.29 -0.00 0.00 -1.58 0.00 0.00 42.46 36.40 1qhi s ILE 54 CO 0.04 -0.51 0.02 -0.67 -1.23 0.00 0.00 174.94 172.59 1qhi n ASP 55 N 6.66 1.18 0.00 3.58 2.03 0.12 -1.17 116.55 128.96 1qhi n ASP 55 Ca 0.06 -1.36 0.00 0.00 0.52 0.00 0.00 54.79 54.01 1qhi n ASP 55 Cb 0.48 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 1qhi n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qhi n GLY 56 N 2.17 0.99 3.76 0.27 0.00 -1.26 -3.52 105.19 107.59 1qhi n GLY 56 Ca -0.01 -2.31 -0.38 0.00 0.00 0.00 0.00 46.02 43.32 1qhi n GLY 56 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1qhi s PRO 57 N -1.06 3.28 0.67 1.61 0.02 -1.26 -4.97 135.00 133.29 1qhi s PRO 57 Ca 0.00 2.04 -0.13 0.00 0.02 0.00 0.00 61.00 62.93 1qhi s PRO 57 Cb 0.00 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.28 1qhi s PRO 57 CO 0.00 -1.02 1.07 -3.38 -0.33 0.00 0.00 177.00 173.34 1qhi s HIS 58 N -1.41 2.93 0.00 6.54 -3.43 -1.26 -4.16 115.29 114.49 1qhi s HIS 58 Ca 0.70 1.49 0.00 0.00 -0.80 0.00 0.00 55.06 56.45 1qhi s HIS 58 Cb -0.36 -2.98 0.00 0.00 -1.43 0.00 0.00 32.58 27.81 1qhi s HIS 58 CO 0.42 -1.35 0.00 0.41 -2.00 0.00 0.00 174.74 172.22 1qhi n GLY 59 N -1.38 0.70 0.15 -1.38 0.00 -1.26 -4.94 105.19 97.08 1qhi n GLY 59 Ca 0.08 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1qhi n GLY 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qhi n MET 60 N -2.55 0.39 0.00 1.61 2.00 -1.26 -3.23 117.12 114.09 1qhi n MET 60 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 57.70 57.40 1qhi n MET 60 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.73 1qhi n MET 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qhi n GLY 61 N 1.46 1.20 0.17 3.03 0.00 -1.26 -4.88 105.19 104.91 1qhi n GLY 61 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 1qhi n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qhi h LYS 62 N 1.81 0.02 -0.06 1.61 1.57 -1.94 0.55 116.57 120.14 1qhi h LYS 62 Ca 0.00 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1qhi h LYS 62 Cb 0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1qhi h LYS 62 CO 0.00 0.01 -0.77 1.79 -0.57 0.00 0.00 179.45 179.91 1qhi h THR 63 N 0.02 1.39 -0.79 -0.16 1.35 -1.97 0.25 112.91 113.00 1qhi h THR 63 Ca 0.20 -2.23 0.08 0.00 -0.55 0.00 0.00 66.41 63.91 1qhi h THR 63 Cb 0.31 2.19 -0.07 0.00 -1.73 0.00 0.00 68.15 68.85 1qhi h THR 63 CO -0.41 0.67 0.46 0.74 -0.25 0.00 0.00 175.52 176.72 1qhi h THR 64 N 0.25 0.96 0.02 6.82 2.02 -1.75 0.25 112.91 121.48 1qhi h THR 64 Ca -0.04 -0.28 -0.17 0.00 0.77 0.00 0.00 66.41 66.70 1qhi h THR 64 Cb 1.36 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1qhi h THR 64 CO 0.13 0.15 -0.67 0.71 0.37 0.00 0.00 175.52 176.21 1qhi h THR 65 N 0.80 1.43 -0.29 3.16 1.35 -0.62 -3.28 112.91 115.47 1qhi h THR 65 Ca 0.36 -2.16 -0.04 0.00 -0.55 0.00 0.00 66.41 64.02 1qhi h THR 65 Cb 0.27 2.68 -0.02 0.00 -1.73 0.00 0.00 68.15 69.35 1qhi h THR 65 CO -0.21 0.63 0.01 0.71 -0.25 0.00 0.00 175.52 176.40 1qhi h THR 66 N -0.11 1.17 0.00 6.82 1.35 -0.25 -2.30 112.91 119.58 1qhi h THR 66 Ca -0.09 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1qhi h THR 66 Cb 1.39 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1qhi h THR 66 CO 0.13 0.23 0.00 0.00 -0.25 0.00 0.00 175.52 175.63 1qhi n GLN 67 N -4.32 0.01 0.00 4.72 6.02 0.06 -2.14 117.38 121.72 1qhi n GLN 67 Ca 0.01 0.09 0.12 0.00 -0.01 0.00 0.00 57.00 57.20 1qhi n GLN 67 Cb 0.22 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.12 1qhi n GLN 67 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1qhi n LEU 68 N -1.50 1.60 0.17 1.08 4.77 -0.88 -4.21 117.00 118.04 1qhi n LEU 68 Ca 0.06 -0.55 0.03 0.00 -0.03 0.00 0.00 56.01 55.52 1qhi n LEU 68 Cb 0.28 -0.05 0.27 0.00 -2.33 0.00 0.00 43.42 41.59 1qhi n LEU 68 CO 0.22 0.30 0.61 -0.07 -1.33 0.00 0.00 177.39 177.12 1qhi h LEU 69 N 1.88 0.00 0.00 2.23 3.38 -1.31 -3.51 115.31 117.99 1qhi h LEU 69 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qhi h LEU 69 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1qhi h LEU 69 CO 0.00 0.46 0.00 0.52 0.09 0.00 0.00 178.44 179.51 1qhi n VAL 70 N -3.58 0.00 0.00 1.22 0.31 -1.26 -5.15 118.33 109.88 1qhi n VAL 70 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1qhi n VAL 70 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 1qhi n VAL 70 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1qhi n ASP 77 N 0.00 0.00 -3.59 4.52 3.85 -1.26 -5.72 116.55 114.35 1qhi n ASP 77 Ca 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 54.79 54.06 1qhi n ASP 77 Cb 0.00 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 39.72 1qhi n ASP 77 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.20 175.68 1qhi s ILE 78 N 0.00 -0.64 0.18 2.12 2.07 -1.26 -0.94 121.20 122.73 1qhi s ILE 78 Ca 0.00 0.00 0.11 0.00 -1.41 0.00 0.00 60.65 59.35 1qhi s ILE 78 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 1qhi s ILE 78 CO 0.00 0.00 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.10 1qhi s VAL 79 N 2.46 2.40 -0.12 4.00 1.01 -0.68 -4.96 120.40 124.51 1qhi s VAL 79 Ca -0.06 -1.93 0.03 0.00 0.00 0.00 0.00 61.98 60.02 1qhi s VAL 79 Cb -0.09 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1qhi s VAL 79 CO -0.19 -0.06 -0.22 -0.47 0.00 0.00 0.00 175.10 174.16 1qhi s TYR 80 N -1.52 2.53 -0.39 5.22 5.04 -1.26 -1.24 117.35 125.73 1qhi s TYR 80 Ca 0.19 -1.15 -0.09 0.00 -2.44 0.00 0.00 57.07 53.58 1qhi s TYR 80 Cb -0.09 -1.71 0.05 0.00 0.35 0.00 0.00 41.96 40.57 1qhi s TYR 80 CO 0.09 -0.50 0.21 0.08 -1.34 0.00 0.00 175.55 174.09 1qhi s VAL 81 N 0.60 4.24 1.06 3.14 1.01 0.05 -4.88 120.40 125.61 1qhi s VAL 81 Ca -0.13 -1.16 -0.14 0.00 0.00 0.00 0.00 61.98 60.55 1qhi s VAL 81 Cb -0.17 -3.48 0.22 0.00 0.00 0.00 0.00 36.38 32.96 1qhi s VAL 81 CO 0.03 -0.34 1.09 -2.16 0.00 0.00 0.00 175.10 173.72 1qhi s PRO 82 N 1.46 -0.03 0.38 2.72 0.04 -1.26 -1.12 135.00 137.19 1qhi s PRO 82 Ca 0.02 0.38 -0.25 0.00 0.04 0.00 0.00 61.00 61.19 1qhi s PRO 82 Cb -0.21 -1.69 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 1qhi s PRO 82 CO 0.04 -3.01 1.05 -1.83 0.04 0.00 0.00 177.00 173.28 1qhi s GLU 83 N -5.04 4.25 -0.70 4.56 -1.05 -1.26 -4.66 118.70 114.80 1qhi s GLU 83 Ca 0.67 1.54 -0.05 0.00 -0.15 0.00 0.00 54.97 56.98 1qhi s GLU 83 Cb -0.17 -2.64 -0.08 0.00 -0.44 0.00 0.00 34.13 30.80 1qhi s GLU 83 CO 0.58 -0.07 2.20 -0.35 0.95 0.00 0.00 175.26 178.56 1qhi n PRO 84 N 0.13 1.91 -0.31 -4.83 -0.04 -1.26 -4.30 135.00 126.30 1qhi n PRO 84 Ca 0.04 -1.26 0.05 0.00 -0.04 0.00 0.00 63.50 62.29 1qhi n PRO 84 Cb 0.49 -2.29 0.19 0.00 -0.04 0.00 0.00 33.50 31.85 1qhi n PRO 84 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1qhi h MET 85 N 5.71 0.79 0.00 0.54 4.05 -1.72 -1.14 114.93 123.16 1qhi h MET 85 Ca 0.41 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.73 1qhi h MET 85 Cb 0.36 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1qhi h MET 85 CO 1.17 0.52 -0.25 1.15 0.23 0.00 0.00 176.91 179.73 1qhi h THR 86 N 0.81 1.17 -0.25 -0.77 2.02 -1.53 0.18 112.91 114.54 1qhi h THR 86 Ca 0.43 -0.87 -0.08 0.00 0.77 0.00 0.00 66.41 66.66 1qhi h THR 86 Cb 0.44 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1qhi h THR 86 CO -0.27 0.25 -0.17 0.22 0.37 0.00 0.00 175.52 175.92 1qhi h TYR 87 N 0.00 0.65 -0.45 3.16 3.20 -1.42 0.27 116.97 122.38 1qhi h TYR 87 Ca -0.00 -0.18 -0.11 0.00 3.14 0.00 0.00 58.73 61.58 1qhi h TYR 87 Cb 0.45 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1qhi h TYR 87 CO 0.00 0.84 -0.15 -1.49 -1.64 0.00 0.00 178.16 175.72 1qhi h TRP 88 N 0.27 0.94 0.15 -3.82 6.55 -1.00 0.13 115.95 119.18 1qhi h TRP 88 Ca 0.05 -0.19 -0.32 0.00 0.95 0.00 0.00 58.89 59.37 1qhi h TRP 88 Cb 0.70 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.77 1qhi h TRP 88 CO 0.07 0.93 -1.61 0.00 -1.05 0.00 0.00 178.44 176.78 1qhi h ARG 89 N 0.75 0.32 0.00 0.49 2.47 -0.98 0.12 114.38 117.56 1qhi h ARG 89 Ca 0.12 -0.55 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 1qhi h ARG 89 Cb 0.67 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.19 1qhi h ARG 89 CO 0.05 1.21 -0.39 0.28 0.56 0.00 0.00 179.97 181.68 1qhi n VAL 90 N -3.52 0.06 0.09 2.04 0.31 0.75 -0.98 118.33 117.07 1qhi n VAL 90 Ca -0.19 0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 64.03 1qhi n VAL 90 Cb 1.06 -0.94 -0.08 0.00 -0.91 0.00 0.00 33.84 32.97 1qhi n VAL 90 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1qhi h LEU 91 N 0.00 -0.12 0.17 7.52 3.38 -0.98 -3.32 115.31 121.96 1qhi h LEU 91 Ca 0.00 -0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.62 1qhi h LEU 91 Cb 0.39 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.19 1qhi h LEU 91 CO 0.00 -0.03 -1.37 1.23 0.09 0.00 0.00 178.44 178.37 1qhi h GLY 92 N -0.21 0.40 -2.57 0.83 0.00 -1.22 -3.49 103.07 96.82 1qhi h GLY 92 Ca -0.01 -1.03 0.25 0.00 0.00 0.00 0.00 47.33 46.54 1qhi h GLY 92 CO 0.02 0.90 0.65 0.00 0.00 0.00 0.00 176.54 178.11 1qhi s ALA 93 N -2.63 -1.93 -0.22 3.60 0.00 -1.24 -5.04 121.76 114.30 1qhi s ALA 93 Ca -0.06 0.41 -0.24 0.00 0.00 0.00 0.00 51.96 52.07 1qhi s ALA 93 Cb 0.06 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 1qhi s ALA 93 CO 0.90 -1.04 0.79 0.45 0.00 0.00 0.00 175.76 176.85 1qhi s SER 94 N -2.95 6.83 -0.70 0.00 0.15 -1.26 -3.05 113.70 112.72 1qhi s SER 94 Ca 0.13 1.02 -0.12 0.00 0.70 0.00 0.00 55.95 57.68 1qhi s SER 94 Cb 0.02 -2.42 0.02 0.00 -1.71 0.00 0.00 66.02 61.92 1qhi s SER 94 CO -0.01 -0.44 0.63 -0.62 1.20 0.00 0.00 173.24 174.00 1qhi n GLU 95 N 5.63 -1.67 -0.11 5.44 -0.58 -0.16 -4.84 120.64 124.35 1qhi n GLU 95 Ca 0.04 1.07 -0.08 0.00 -0.42 0.00 0.00 57.16 57.77 1qhi n GLU 95 Cb 0.48 -2.66 0.08 0.00 -0.57 0.00 0.00 31.44 28.77 1qhi n GLU 95 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1qhi h THR 96 N 0.56 1.27 -0.44 2.62 2.02 -0.99 -2.52 112.91 115.43 1qhi h THR 96 Ca -0.54 -1.30 -0.10 0.00 0.77 0.00 0.00 66.41 65.24 1qhi h THR 96 Cb 1.35 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 1qhi h THR 96 CO 0.32 0.44 -0.14 0.40 0.37 0.00 0.00 175.52 176.91 1qhi h ILE 97 N 0.73 1.26 -0.45 3.11 2.04 -1.83 -0.85 117.51 121.54 1qhi h ILE 97 Ca 0.11 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.70 1qhi h ILE 97 Cb 0.70 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1qhi h ILE 97 CO 0.05 0.42 0.13 0.00 0.00 0.00 0.00 178.15 178.75 1qhi h ALA 98 N 1.11 0.59 -0.55 1.87 0.00 -1.66 -1.35 119.26 119.27 1qhi h ALA 98 Ca 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1qhi h ALA 98 Cb 0.64 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1qhi h ALA 98 CO 0.04 0.25 0.32 -0.97 0.00 0.00 0.00 179.25 178.89 1qhi h ASN 99 N 0.59 0.67 0.31 0.00 -1.24 -1.21 0.84 115.58 115.53 1qhi h ASN 99 Ca 0.14 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 1qhi h ASN 99 Cb 0.28 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.17 1qhi h ASN 99 CO -0.00 0.54 -0.15 0.40 -1.29 0.00 0.00 177.43 176.93 1qhi h ILE 100 N 0.73 0.71 -0.42 2.57 2.04 -0.89 -1.75 117.51 120.50 1qhi h ILE 100 Ca 0.19 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.87 1qhi h ILE 100 Cb 0.01 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1qhi h ILE 100 CO -0.03 0.02 -0.06 1.88 0.00 0.00 0.00 178.15 179.96 1qhi h TYR 101 N -0.47 0.77 -0.23 1.37 -1.99 -1.13 -2.52 116.97 112.77 1qhi h TYR 101 Ca -0.04 -0.12 -0.03 0.00 2.00 0.00 0.00 58.73 60.54 1qhi h TYR 101 Cb 0.36 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 1qhi h TYR 101 CO -0.04 0.76 0.03 1.15 -0.00 0.00 0.00 178.16 180.06 1qhi h THR 102 N 0.66 1.23 -0.68 -2.88 2.02 -0.79 -1.31 112.91 111.17 1qhi h THR 102 Ca 0.12 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 1qhi h THR 102 Cb 0.50 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1qhi h THR 102 CO 0.03 0.25 0.41 0.74 0.37 0.00 0.00 175.52 177.32 1qhi h THR 103 N 0.18 1.19 -0.24 3.16 2.02 -1.21 0.42 112.91 118.43 1qhi h THR 103 Ca 0.07 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1qhi h THR 103 Cb 0.34 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1qhi h THR 103 CO 0.01 0.20 0.08 -0.61 0.37 0.00 0.00 175.52 175.57 1qhi h GLN 104 N 0.92 0.37 -0.38 6.66 5.75 -1.40 -1.63 115.11 125.40 1qhi h GLN 104 Ca 0.24 -0.07 0.08 0.00 -0.15 0.00 0.00 58.65 58.74 1qhi h GLN 104 Cb -0.04 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.38 1qhi h GLN 104 CO -0.05 0.43 -0.09 1.25 -2.65 0.00 0.00 178.83 177.73 1qhi h HIS 105 N 0.23 -0.19 -0.74 3.99 2.76 -0.69 0.42 115.15 120.93 1qhi h HIS 105 Ca 0.08 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 1qhi h HIS 105 Cb 0.21 0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.27 1qhi h HIS 105 CO -0.00 -0.16 0.46 0.00 -1.30 0.00 0.00 177.93 176.93 1qhi h ARG 106 N 0.01 0.87 -0.34 5.26 3.08 -0.74 0.37 114.38 122.88 1qhi h ARG 106 Ca 0.18 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 1qhi h ARG 106 Cb 0.28 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1qhi h ARG 106 CO -0.38 0.58 0.07 1.25 -1.07 0.00 0.00 179.97 180.41 1qhi h LEU 107 N 0.90 0.53 -0.77 3.04 7.12 -0.29 0.04 115.31 125.88 1qhi h LEU 107 Ca 0.30 -0.25 0.09 0.00 0.13 0.00 0.00 57.88 58.16 1qhi h LEU 107 Cb 0.03 -0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 39.95 1qhi h LEU 107 CO -0.12 0.64 0.41 0.44 -0.13 0.00 0.00 178.44 179.68 1qhi h ASP 108 N 0.39 0.57 0.63 1.25 3.32 0.46 -0.74 116.42 122.31 1qhi h ASP 108 Ca 0.10 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1qhi h ASP 108 Cb 0.33 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1qhi h ASP 108 CO 0.00 0.33 0.00 0.00 -1.72 0.00 0.00 179.24 177.85 1qhi n GLN 109 N -4.80 0.22 -0.99 3.56 1.13 0.06 -4.90 117.38 111.66 1qhi n GLN 109 Ca 0.12 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 1qhi n GLN 109 Cb 0.28 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.13 1qhi n GLN 109 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qhi n GLY 110 N 0.97 0.51 0.24 1.08 0.00 -0.28 -4.88 105.19 102.83 1qhi n GLY 110 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1qhi n GLY 110 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qhi h GLU 111 N 1.17 0.00 -4.32 1.61 5.08 -1.27 -3.44 114.58 113.41 1qhi h GLU 111 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1qhi h GLU 111 Cb 0.10 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.20 1qhi h GLU 111 CO 0.00 0.16 -0.64 0.96 -1.00 0.00 0.00 179.01 178.50 1qhi s ILE 112 N -3.72 0.15 0.61 3.13 -4.36 -1.19 -5.00 121.20 110.81 1qhi s ILE 112 Ca 0.00 -1.83 -0.03 0.00 -0.26 0.00 0.00 60.65 58.54 1qhi s ILE 112 Cb 0.10 -1.82 0.04 0.00 1.25 0.00 0.00 42.46 42.03 1qhi s ILE 112 CO 0.61 -0.66 0.88 -0.94 0.24 0.00 0.00 174.94 175.07 1qhi s SER 113 N -2.99 5.13 0.49 4.36 1.04 -1.26 -4.47 113.70 116.00 1qhi s SER 113 Ca 0.17 0.24 0.16 0.00 0.48 0.00 0.00 55.95 57.01 1qhi s SER 113 Cb 0.07 -1.06 1.18 0.00 0.10 0.00 0.00 66.02 66.32 1qhi s SER 113 CO -0.03 -1.30 2.08 0.00 0.98 0.00 0.00 173.24 174.97 1qhi h ALA 114 N -0.21 1.82 0.14 5.32 0.00 -1.95 -0.70 119.26 123.68 1qhi h ALA 114 Ca -0.43 -0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.10 1qhi h ALA 114 Cb 1.30 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.10 1qhi h ALA 114 CO 0.56 0.11 -1.27 0.78 0.00 0.00 0.00 179.25 179.43 1qhi h GLY 115 N 0.27 0.56 0.89 0.00 0.00 -1.94 -1.75 103.07 101.11 1qhi h GLY 115 Ca -0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 47.33 45.99 1qhi h GLY 115 CO 0.01 1.11 -0.11 -0.55 0.00 0.00 0.00 176.54 177.00 1qhi h ASP 116 N 0.19 0.59 -0.72 0.19 3.32 -1.85 -2.76 116.42 115.38 1qhi h ASP 116 Ca -0.18 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1qhi h ASP 116 Cb 1.96 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 41.31 1qhi h ASP 116 CO 0.23 0.85 0.46 0.00 -1.72 0.00 0.00 179.24 179.07 1qhi h ALA 117 N 0.76 0.92 -0.71 3.45 0.00 -1.20 -2.89 119.26 119.59 1qhi h ALA 117 Ca 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1qhi h ALA 117 Cb 0.62 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1qhi h ALA 117 CO 0.04 0.36 0.19 0.00 0.00 0.00 0.00 179.25 179.83 1qhi h ALA 118 N 1.25 0.93 -0.45 0.00 0.00 -1.27 0.16 119.26 119.88 1qhi h ALA 118 Ca 0.26 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1qhi h ALA 118 Cb -0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1qhi h ALA 118 CO -0.05 0.64 0.06 -0.24 0.00 0.00 0.00 179.25 179.66 1qhi h VAL 119 N 1.06 1.25 -0.04 0.00 3.04 -1.41 0.13 116.25 120.28 1qhi h VAL 119 Ca 0.22 -0.93 -0.02 0.00 -1.01 0.00 0.00 66.70 64.96 1qhi h VAL 119 Cb 0.35 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 1qhi h VAL 119 CO -0.00 0.32 -0.08 0.58 -1.01 0.00 0.00 177.57 177.39 1qhi h VAL 120 N 0.62 1.44 -0.36 1.51 2.07 -1.41 -2.75 116.25 117.37 1qhi h VAL 120 Ca 0.14 -1.41 0.03 0.00 0.82 0.00 0.00 66.70 66.27 1qhi h VAL 120 Cb 0.40 2.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1qhi h VAL 120 CO 0.01 0.38 0.17 -0.03 0.02 0.00 0.00 177.57 178.12 1qhi h MET 121 N -0.42 0.34 -0.18 1.57 -1.53 -0.66 -1.94 114.93 112.12 1qhi h MET 121 Ca 0.00 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.24 1qhi h MET 121 Cb 0.66 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.62 1qhi h MET 121 CO 0.02 0.23 0.10 1.15 0.14 0.00 0.00 176.91 178.55 1qhi h THR 122 N 0.35 1.09 -0.52 -0.77 2.02 -1.03 -2.65 112.91 111.40 1qhi h THR 122 Ca 0.16 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1qhi h THR 122 Cb 0.08 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1qhi h THR 122 CO -0.12 0.09 0.35 -1.28 0.37 0.00 0.00 175.52 174.92 1qhi h SER 123 N 0.20 0.51 0.20 4.18 0.87 -1.36 -2.12 113.55 116.03 1qhi h SER 123 Ca 0.06 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.47 1qhi h SER 123 Cb 0.05 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1qhi h SER 123 CO -0.01 0.35 -0.54 0.00 -0.53 0.00 0.00 176.83 176.10 1qhi h ALA 124 N 1.70 0.84 -0.20 6.23 0.00 -1.04 -2.94 119.26 123.86 1qhi h ALA 124 Ca 0.21 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1qhi h ALA 124 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1qhi h ALA 124 CO -0.05 0.69 0.05 1.96 0.00 0.00 0.00 179.25 181.89 1qhi h GLN 125 N 0.29 0.27 -0.33 0.00 1.08 -1.05 -1.68 115.11 113.69 1qhi h GLN 125 Ca 0.01 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1qhi h GLN 125 Cb 1.04 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.40 1qhi h GLN 125 CO 0.09 0.26 0.18 0.82 -0.95 0.00 0.00 178.83 179.23 1qhi h ILE 126 N 0.28 1.14 -0.46 2.54 1.08 -1.47 -1.30 117.51 119.33 1qhi h ILE 126 Ca 0.07 -0.38 -0.10 0.00 -0.39 0.00 0.00 64.86 64.06 1qhi h ILE 126 Cb 0.11 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 1qhi h ILE 126 CO -0.00 0.15 -0.10 0.74 -0.69 0.00 0.00 178.15 178.24 1qhi h THR 127 N 0.42 1.26 -0.61 -0.27 2.02 -1.43 -2.76 112.91 111.54 1qhi h THR 127 Ca 0.12 -1.18 -0.07 0.00 0.77 0.00 0.00 66.41 66.05 1qhi h THR 127 Cb 0.07 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1qhi h THR 127 CO -0.02 0.41 0.10 0.24 0.37 0.00 0.00 175.52 176.61 1qhi h MET 128 N 0.74 1.01 0.00 6.66 2.86 -1.06 -3.26 114.93 121.88 1qhi h MET 128 Ca 0.13 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1qhi h MET 128 Cb 0.60 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1qhi h MET 128 CO 0.04 0.95 -0.46 0.41 1.06 0.00 0.00 176.91 178.90 1qhi n GLY 129 N -0.55 -1.35 0.29 8.32 0.00 -0.51 -4.51 105.19 106.88 1qhi n GLY 129 Ca 0.03 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.72 1qhi n GLY 129 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qhi h MET 130 N 0.00 -0.15 -0.10 1.61 4.05 -1.53 -1.26 114.93 117.55 1qhi h MET 130 Ca 0.00 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1qhi h MET 130 Cb 0.59 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1qhi h MET 130 CO 0.00 -0.10 0.07 -1.35 0.23 0.00 0.00 176.91 175.76 1qhi h PRO 131 N -0.16 0.04 -0.05 0.39 0.11 -1.82 -1.05 132.00 129.46 1qhi h PRO 131 Ca 0.21 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.10 1qhi h PRO 131 Cb 0.50 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.60 1qhi h PRO 131 CO -0.56 0.03 -0.88 1.88 -0.21 0.00 0.00 178.00 178.25 1qhi h TYR 132 N 0.04 0.79 0.19 0.65 -1.99 -1.55 -2.46 116.97 112.64 1qhi h TYR 132 Ca 0.05 -0.39 -0.01 0.00 2.00 0.00 0.00 58.73 60.37 1qhi h TYR 132 Cb 0.14 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 38.76 1qhi h TYR 132 CO -0.00 1.20 -0.09 0.00 -0.00 0.00 0.00 178.16 179.27 1qhi h ALA 133 N 0.67 -0.26 -0.68 3.88 0.00 -0.53 -1.64 119.26 120.72 1qhi h ALA 133 Ca -0.07 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1qhi h ALA 133 Cb 1.51 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1qhi h ALA 133 CO 0.16 -0.51 0.43 -0.39 0.00 0.00 0.00 179.25 178.95 1qhi h VAL 134 N -0.54 1.13 -0.18 0.00 -1.51 -1.37 -0.70 116.25 113.09 1qhi h VAL 134 Ca -0.03 -0.30 0.03 0.00 -1.23 0.00 0.00 66.70 65.18 1qhi h VAL 134 Cb 0.40 0.18 -0.03 0.00 -2.13 0.00 0.00 31.29 29.72 1qhi h VAL 134 CO 0.04 0.16 -0.01 0.74 -1.23 0.00 0.00 177.57 177.27 1qhi h THR 135 N 0.87 0.86 -0.71 7.19 2.02 -1.41 0.40 112.91 122.13 1qhi h THR 135 Ca 0.26 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 1qhi h THR 135 Cb -0.04 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1qhi h THR 135 CO -0.08 0.01 0.34 -0.78 0.37 0.00 0.00 175.52 175.38 1qhi h ASP 136 N 0.04 0.93 -0.11 4.18 1.82 -0.99 -1.28 116.42 121.02 1qhi h ASP 136 Ca 0.08 -0.13 0.03 0.00 -0.39 0.00 0.00 57.03 56.62 1qhi h ASP 136 Cb 0.11 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 39.85 1qhi h ASP 136 CO -0.15 0.80 -0.07 0.00 -1.61 0.00 0.00 179.24 178.21 1qhi h ALA 137 N 1.17 0.03 0.00 -0.78 0.00 -0.52 -0.38 119.26 118.77 1qhi h ALA 137 Ca 0.24 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1qhi h ALA 137 Cb 0.12 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1qhi h ALA 137 CO -0.03 -0.52 -0.34 0.28 0.00 0.00 0.00 179.25 178.64 1qhi h VAL 138 N -0.07 0.75 0.14 0.00 2.07 -0.81 -3.29 116.25 115.04 1qhi h VAL 138 Ca 0.07 -1.48 -0.27 0.00 0.82 0.00 0.00 66.70 65.83 1qhi h VAL 138 Cb 0.16 1.95 0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1qhi h VAL 138 CO -0.15 0.33 -1.35 0.25 0.02 0.00 0.00 177.57 176.67 1qhi h LEU 139 N 0.00 0.48 -0.69 2.57 5.85 -0.97 -3.40 115.31 119.15 1qhi h LEU 139 Ca -0.00 -0.89 0.15 0.00 0.84 0.00 0.00 57.88 57.97 1qhi h LEU 139 Cb 0.92 -0.16 -0.13 0.00 0.37 0.00 0.00 40.66 41.67 1qhi h LEU 139 CO 0.04 1.61 -0.14 0.00 -0.34 0.00 0.00 178.44 179.61 1qhi n ALA 140 N -2.87 0.19 0.20 1.25 0.00 -0.17 -0.35 120.51 118.76 1qhi n ALA 140 Ca -0.22 0.76 0.11 0.00 0.00 0.00 0.00 53.44 54.09 1qhi n ALA 140 Cb 0.93 -0.47 0.65 0.00 0.00 0.00 0.00 19.45 20.56 1qhi n ALA 140 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qhi h PRO 141 N 0.00 0.00 0.00 0.00 0.11 -1.77 -2.76 132.00 127.58 1qhi h PRO 141 Ca 0.34 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.41 1qhi h PRO 141 Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1qhi h PRO 141 CO -0.70 0.00 -0.21 0.45 -0.21 0.00 0.00 178.00 177.33 1qhi h HIS 142 N 0.00 0.00 -3.15 0.65 3.86 -0.96 -3.42 115.15 112.12 1qhi h HIS 142 Ca 0.06 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.73 1qhi h HIS 142 Cb 0.25 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1qhi h HIS 142 CO 0.00 0.21 0.61 0.42 0.86 0.00 0.00 177.93 180.04 1qhi s ILE 143 N -3.22 4.14 0.00 2.45 -1.09 -1.04 0.29 121.20 122.73 1qhi s ILE 143 Ca 0.05 1.51 0.00 0.00 -2.23 0.00 0.00 60.65 59.98 1qhi s ILE 143 Cb 0.07 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1qhi s ILE 143 CO 0.68 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 175.07 1qhi n GLY 144 N 3.28 2.83 3.89 6.18 0.00 0.40 -4.64 105.19 117.13 1qhi n GLY 144 Ca 0.10 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 1qhi n GLY 144 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qhi s GLY 145 N -0.32 1.63 0.20 -0.02 0.00 -1.26 -4.49 107.32 103.06 1qhi s GLY 145 Ca 0.00 -0.34 -0.31 0.00 0.00 0.00 0.00 44.72 44.06 1qhi s GLY 145 CO 0.00 -0.15 1.07 1.18 0.00 0.00 0.00 173.10 175.20 1qhi n GLU 146 N -2.16 1.08 -0.01 2.90 1.02 -1.26 -0.61 120.64 121.60 1qhi n GLU 146 Ca 0.02 0.38 -0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1qhi n GLU 146 Cb 0.55 -1.81 -0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1qhi n GLU 146 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qhi h ALA 147 N 2.81 0.00 0.00 0.62 0.00 -0.93 -3.44 119.26 118.31 1qhi h ALA 147 Ca -0.41 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1qhi h ALA 147 Cb 1.35 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1qhi h ALA 147 CO 0.66 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.37 1qhi n GLY 148 N 1.75 0.00 0.00 0.00 0.00 -1.26 -5.04 105.19 100.64 1qhi n GLY 148 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1qhi n GLY 148 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qhi n PRO 154 N 0.00 0.00 -1.98 1.61 -0.08 -1.26 -5.72 135.00 127.57 1qhi n PRO 154 Ca 0.00 0.00 -0.38 0.00 -0.08 0.00 0.00 63.50 63.04 1qhi n PRO 154 Cb 0.00 0.00 0.01 0.00 -0.08 0.00 0.00 33.50 33.43 1qhi n PRO 154 CO 0.00 0.00 0.00 -1.25 -0.08 0.00 0.00 175.50 174.17 1qhi s PRO 155 N 0.00 3.54 0.23 0.58 0.04 -1.26 -4.86 135.00 133.27 1qhi s PRO 155 Ca 0.00 2.10 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 1qhi s PRO 155 Cb 0.00 -2.44 0.23 0.00 0.04 0.00 0.00 34.50 32.33 1qhi s PRO 155 CO 0.00 -0.83 1.60 0.00 0.04 0.00 0.00 177.00 177.81 1qhi h ALA 156 N 1.96 0.87 -2.63 8.56 0.00 -0.84 -3.45 119.26 123.71 1qhi h ALA 156 Ca -0.50 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 53.85 1qhi h ALA 156 Cb 1.27 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 1qhi h ALA 156 CO 0.60 0.64 -0.29 -1.17 0.00 0.00 0.00 179.25 179.02 1qhi s LEU 157 N -8.53 0.83 -0.15 0.00 2.96 -1.20 -4.74 118.68 107.86 1qhi s LEU 157 Ca -0.07 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1qhi s LEU 157 Cb 0.12 1.22 0.02 0.00 0.50 0.00 0.00 46.19 48.05 1qhi s LEU 157 CO 0.82 -0.35 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.43 1qhi s THR 158 N -0.89 1.82 -0.24 3.68 2.01 -0.12 -1.53 115.64 120.37 1qhi s THR 158 Ca -0.10 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.02 1qhi s THR 158 Cb -0.04 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1qhi s THR 158 CO 0.03 0.50 0.08 -0.76 -0.69 0.00 0.00 174.62 173.78 1qhi s LEU 159 N 1.19 3.57 -0.37 4.42 1.43 0.25 -1.69 118.68 127.49 1qhi s LEU 159 Ca 0.00 -0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1qhi s LEU 159 Cb -0.14 -1.95 0.05 0.00 0.03 0.00 0.00 46.19 44.18 1qhi s LEU 159 CO -0.08 0.00 0.16 -0.63 0.23 0.00 0.00 176.35 176.04 1qhi s ILE 160 N 1.39 3.94 -0.00 -0.59 -1.09 -0.37 0.27 121.20 124.75 1qhi s ILE 160 Ca 0.05 -1.24 -0.06 0.00 -2.23 0.00 0.00 60.65 57.18 1qhi s ILE 160 Cb -0.15 -3.30 -0.05 0.00 -1.58 0.00 0.00 42.46 37.38 1qhi s ILE 160 CO 0.04 -0.30 0.25 -0.36 -1.23 0.00 0.00 174.94 173.34 1qhi s PHE 161 N 1.41 3.58 -0.70 3.97 0.40 0.19 -0.77 117.98 126.05 1qhi s PHE 161 Ca 0.00 0.54 -0.19 0.00 -0.60 0.00 0.00 56.93 56.69 1qhi s PHE 161 Cb -0.21 -1.97 0.11 0.00 0.51 0.00 0.00 43.02 41.47 1qhi s PHE 161 CO 0.03 0.62 0.86 0.34 0.70 0.00 0.00 175.22 177.77 1qhi s ASP 162 N -1.69 6.32 0.00 1.36 3.68 -0.27 -1.14 116.67 124.93 1qhi s ASP 162 Ca 0.27 -1.57 0.00 0.00 2.13 0.00 0.00 52.55 53.38 1qhi s ASP 162 Cb -0.13 -2.34 0.00 0.00 -1.45 0.00 0.00 42.92 39.00 1qhi s ASP 162 CO 0.16 -1.14 0.00 0.54 0.13 0.00 0.00 175.17 174.86 1qhi n ARG 163 N 6.50 0.00 -4.18 4.34 1.74 -0.32 -4.58 116.66 120.16 1qhi n ARG 163 Ca 0.01 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.84 1qhi n ARG 163 Cb 0.45 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.82 1qhi n ARG 163 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1qhi s HIS 164 N -3.84 2.93 0.53 -1.55 5.65 -1.26 -4.79 115.29 112.96 1qhi s HIS 164 Ca 0.00 -0.13 0.32 0.00 0.25 0.00 0.00 55.06 55.50 1qhi s HIS 164 Cb 0.00 -1.37 1.48 0.00 -1.18 0.00 0.00 32.58 31.51 1qhi s HIS 164 CO 0.00 0.54 1.87 -1.35 -0.65 0.00 0.00 174.74 175.15 1qhi h PRO 165 N 2.20 0.02 0.00 2.88 0.11 -1.98 -0.95 132.00 134.29 1qhi h PRO 165 Ca -0.47 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qhi h PRO 165 Cb 1.22 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1qhi h PRO 165 CO 0.60 0.02 -0.01 -0.84 -0.21 0.00 0.00 178.00 177.56 1qhi h ILE 166 N 0.03 0.29 -0.59 4.15 3.07 -1.95 0.90 117.51 123.40 1qhi h ILE 166 Ca 0.46 -0.05 -0.09 0.00 1.55 0.00 0.00 64.86 66.74 1qhi h ILE 166 Cb 1.81 1.03 -0.02 0.00 -0.27 0.00 0.00 36.82 39.37 1qhi h ILE 166 CO -0.02 0.01 0.03 0.00 -1.05 0.00 0.00 178.15 177.11 1qhi h ALA 167 N 1.99 0.92 0.07 0.16 0.00 -1.56 0.01 119.26 120.84 1qhi h ALA 167 Ca -0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 54.91 54.33 1qhi h ALA 167 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1qhi h ALA 167 CO 0.00 0.65 -1.53 0.00 0.00 0.00 0.00 179.25 178.37 1qhi h ALA 168 N 1.08 0.44 -0.11 0.00 0.00 -1.18 -1.79 119.26 117.70 1qhi h ALA 168 Ca 0.17 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1qhi h ALA 168 Cb 0.51 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1qhi h ALA 168 CO 0.02 1.30 0.00 1.28 0.00 0.00 0.00 179.25 181.85 1qhi n LEU 169 N -3.32 2.92 0.09 0.00 4.77 0.12 -4.59 117.00 116.99 1qhi n LEU 169 Ca -0.15 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.70 1qhi n LEU 169 Cb 1.03 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 1qhi n LEU 169 CO 0.48 0.53 0.00 -0.11 -1.33 0.00 0.00 177.39 176.96 1qhi n LEU 170 N 1.24 -0.46 0.13 2.23 7.94 -0.41 -3.02 117.00 124.65 1qhi n LEU 170 Ca 0.14 0.32 -0.14 0.00 -1.11 0.00 0.00 56.01 55.22 1qhi n LEU 170 Cb 0.54 0.58 -0.08 0.00 0.53 0.00 0.00 43.42 44.99 1qhi n LEU 170 CO 0.14 -0.57 0.74 0.00 -1.11 0.00 0.00 177.39 176.58 1qhi h TYR 172 N -0.39 0.76 -0.84 0.00 -1.99 -1.56 -2.10 116.97 110.84 1qhi h TYR 172 Ca -0.03 -0.16 0.02 0.00 2.00 0.00 0.00 58.73 60.57 1qhi h TYR 172 Cb 0.30 -0.19 -0.05 0.00 2.00 0.00 0.00 36.73 38.80 1qhi h TYR 172 CO -0.03 0.83 0.55 -1.35 -0.00 0.00 0.00 178.16 178.15 1qhi h PRO 173 N 0.47 1.05 -0.71 4.88 0.11 -1.79 -0.97 132.00 135.05 1qhi h PRO 173 Ca 0.09 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 66.17 1qhi h PRO 173 Cb 0.57 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 31.40 1qhi h PRO 173 CO 0.03 0.69 0.44 0.00 -0.21 0.00 0.00 178.00 178.95 1qhi h ALA 174 N 1.34 0.93 -0.63 -0.75 0.00 -1.16 -0.66 119.26 118.34 1qhi h ALA 174 Ca 0.33 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 1qhi h ALA 174 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1qhi h ALA 174 CO -0.10 0.20 0.07 0.00 0.00 0.00 0.00 179.25 179.41 1qhi h ALA 175 N 1.31 0.93 -0.21 0.00 0.00 -0.95 -1.30 119.26 119.05 1qhi h ALA 175 Ca 0.29 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1qhi h ALA 175 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1qhi h ALA 175 CO -0.12 0.65 -0.20 0.00 0.00 0.00 0.00 179.25 179.58 1qhi h ARG 176 N 0.98 0.36 -0.51 0.00 2.47 -0.43 -0.93 114.38 116.32 1qhi h ARG 176 Ca 0.19 -0.11 -0.07 0.00 -1.26 0.00 0.00 59.98 58.73 1qhi h ARG 176 Cb 0.47 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 1qhi h ARG 176 CO 0.02 0.55 0.05 -0.92 0.56 0.00 0.00 179.97 180.23 1qhi h TYR 177 N 0.33 0.93 0.00 3.04 3.20 -0.80 -1.14 116.97 122.52 1qhi h TYR 177 Ca 0.06 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1qhi h TYR 177 Cb 0.54 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1qhi h TYR 177 CO 0.01 0.85 0.00 -0.11 -1.64 0.00 0.00 178.16 177.28 1qhi n LEU 178 N -4.36 0.08 -0.75 2.82 7.94 -0.52 -1.12 117.00 121.08 1qhi n LEU 178 Ca 0.01 0.53 0.07 0.00 -1.11 0.00 0.00 56.01 55.51 1qhi n LEU 178 Cb 0.28 -0.52 0.14 0.00 0.53 0.00 0.00 43.42 43.86 1qhi n LEU 178 CO 0.41 -0.38 0.60 0.23 -1.11 0.00 0.00 177.39 177.14 1qhi n MET 179 N -1.60 2.09 -1.11 1.96 2.81 -0.45 -4.99 117.12 115.84 1qhi n MET 179 Ca 0.02 -1.88 -0.04 0.00 -1.81 0.00 0.00 57.70 53.99 1qhi n MET 179 Cb 0.12 -1.33 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 1qhi n MET 179 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qhi n GLY 180 N 0.86 0.64 0.28 3.03 0.00 -0.28 -4.91 105.19 104.80 1qhi n GLY 180 Ca 0.13 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.89 1qhi n GLY 180 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qhi n SER 181 N 0.21 2.73 -3.70 1.61 3.41 -0.73 -4.84 113.62 112.32 1qhi n SER 181 Ca -0.04 -3.05 -0.12 0.00 -0.26 0.00 0.00 58.87 55.39 1qhi n SER 181 Cb 0.21 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.62 1qhi n SER 181 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1qhi s MET 182 N -2.84 0.55 0.31 4.33 0.00 -1.22 -3.56 119.30 116.87 1qhi s MET 182 Ca 0.34 0.74 -0.20 0.00 0.00 0.00 0.00 55.69 56.57 1qhi s MET 182 Cb 0.29 0.22 -0.09 0.00 0.00 0.00 0.00 34.83 35.25 1qhi s MET 182 CO 0.04 -0.09 0.82 0.95 0.00 0.00 0.00 175.02 176.75 1qhi s THR 183 N 0.56 4.47 0.46 10.11 -4.23 -1.26 -4.28 115.64 121.46 1qhi s THR 183 Ca -0.02 1.38 0.33 0.00 -1.18 0.00 0.00 61.69 62.19 1qhi s THR 183 Cb -0.04 -3.80 0.35 0.00 1.34 0.00 0.00 72.50 70.35 1qhi s THR 183 CO -0.03 0.01 2.16 1.55 -0.54 0.00 0.00 174.62 177.77 1qhi h PRO 184 N 2.84 0.00 -0.27 3.99 0.13 -1.98 -2.11 132.00 134.59 1qhi h PRO 184 Ca -0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 1qhi h PRO 184 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1qhi h PRO 184 CO 0.64 0.06 -0.44 1.96 -0.23 0.00 0.00 178.00 180.00 1qhi h GLN 185 N 0.00 0.68 -0.40 0.86 7.50 -1.96 -1.61 115.11 120.18 1qhi h GLN 185 Ca -0.00 -0.37 -0.11 0.00 0.50 0.00 0.00 58.65 58.66 1qhi h GLN 185 Cb 0.23 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.76 1qhi h GLN 185 CO 0.01 0.98 -0.21 0.00 -1.50 0.00 0.00 178.83 178.12 1qhi h ALA 186 N 0.96 0.87 -0.45 3.87 0.00 -1.80 -2.53 119.26 120.19 1qhi h ALA 186 Ca 0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1qhi h ALA 186 Cb 0.98 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1qhi h ALA 186 CO 0.09 0.63 0.14 0.28 0.00 0.00 0.00 179.25 180.39 1qhi h VAL 187 N 0.70 1.22 0.00 0.00 2.07 -1.17 -2.55 116.25 116.52 1qhi h VAL 187 Ca 0.10 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1qhi h VAL 187 Cb 0.72 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1qhi h VAL 187 CO 0.06 0.27 0.00 -0.07 0.02 0.00 0.00 177.57 177.84 1qhi h LEU 188 N 0.59 0.00 -0.22 2.57 3.38 -1.21 -1.71 115.31 118.72 1qhi h LEU 188 Ca 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 1qhi h LEU 188 Cb 0.27 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1qhi h LEU 188 CO -0.00 0.00 -0.70 0.00 0.09 0.00 0.00 178.44 177.83 1qhi h ALA 189 N 2.13 0.37 -0.41 1.53 0.00 -1.05 -0.47 119.26 121.36 1qhi h ALA 189 Ca 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 1qhi h ALA 189 Cb 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1qhi h ALA 189 CO 0.00 0.69 -0.29 0.74 0.00 0.00 0.00 179.25 180.39 1qhi h PHE 190 N 0.58 1.03 -0.67 0.00 -1.00 -1.18 -2.86 116.94 112.83 1qhi h PHE 190 Ca -0.03 -0.27 -0.04 0.00 2.81 0.00 0.00 57.97 60.45 1qhi h PHE 190 Cb 1.32 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 40.62 1qhi h PHE 190 CO 0.08 1.06 0.27 0.28 -1.61 0.00 0.00 178.31 178.39 1qhi h VAL 191 N 0.75 1.24 0.00 -0.55 2.07 -1.21 -2.08 116.25 116.47 1qhi h VAL 191 Ca 0.09 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1qhi h VAL 191 Cb 0.85 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1qhi h VAL 191 CO 0.07 0.30 -0.04 0.00 0.02 0.00 0.00 177.57 177.92 1qhi h ALA 192 N 1.12 1.30 -0.27 1.67 0.00 -0.93 -2.44 119.26 119.72 1qhi h ALA 192 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1qhi h ALA 192 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1qhi h ALA 192 CO -0.02 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1qhi n LEU 193 N -3.57 2.54 -4.67 0.00 4.77 -0.79 -4.93 117.00 110.34 1qhi n LEU 193 Ca -0.02 -1.08 -0.42 0.00 -0.03 0.00 0.00 56.01 54.46 1qhi n LEU 193 Cb 0.14 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1qhi n LEU 193 CO 0.27 0.54 1.40 -0.63 -1.33 0.00 0.00 177.39 177.64 1qhi s ILE 194 N -1.66 3.24 0.77 -0.08 1.01 -0.92 -4.95 121.20 118.61 1qhi s ILE 194 Ca 0.35 0.47 -0.14 0.00 0.00 0.00 0.00 60.65 61.33 1qhi s ILE 194 Cb 0.20 -3.30 0.06 0.00 0.01 0.00 0.00 42.46 39.42 1qhi s ILE 194 CO 0.29 -0.03 1.23 -0.81 0.00 0.00 0.00 174.94 175.62 1qhi n PRO 195 N 6.60 0.42 -1.71 2.79 -0.04 -1.26 -4.90 135.00 136.90 1qhi n PRO 195 Ca 0.17 0.22 -0.42 0.00 -0.04 0.00 0.00 63.50 63.43 1qhi n PRO 195 Cb 0.41 -2.47 -0.00 0.00 -0.04 0.00 0.00 33.50 31.40 1qhi n PRO 195 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1qhi n PRO 196 N -2.94 2.16 -2.26 0.54 -0.02 -1.26 -4.89 135.00 126.33 1qhi n PRO 196 Ca 0.14 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.95 1qhi n PRO 196 Cb 0.50 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1qhi n PRO 196 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1qhi s THR 197 N -1.11 3.78 0.74 3.45 2.01 -1.26 -4.99 115.64 118.26 1qhi s THR 197 Ca 0.56 0.79 -0.11 0.00 0.31 0.00 0.00 61.69 63.23 1qhi s THR 197 Cb -0.56 -4.07 0.04 0.00 0.01 0.00 0.00 72.50 67.92 1qhi s THR 197 CO 0.62 -0.70 1.08 -0.76 -0.69 0.00 0.00 174.62 174.18 1qhi s LEU 198 N 5.87 3.11 0.65 4.42 1.43 -1.26 -5.00 118.68 127.89 1qhi s LEU 198 Ca 0.66 1.79 -0.16 0.00 -1.03 0.00 0.00 54.13 55.39 1qhi s LEU 198 Cb -0.16 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.54 1qhi s LEU 198 CO 0.32 -1.83 1.14 -2.84 0.23 0.00 0.00 176.35 173.37 1qhi s PRO 199 N -4.83 2.79 -0.98 1.29 0.02 -1.26 -3.59 135.00 128.45 1qhi s PRO 199 Ca 0.61 1.54 -0.02 0.00 0.02 0.00 0.00 61.00 63.15 1qhi s PRO 199 Cb -0.17 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.42 1qhi s PRO 199 CO 0.54 -1.28 0.24 0.41 -0.33 0.00 0.00 177.00 176.57 1qhi n GLY 200 N -0.14 -0.08 3.43 0.52 0.00 -1.26 -4.94 105.19 102.72 1qhi n GLY 200 Ca 0.11 -0.28 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 1qhi n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qhi s THR 201 N -2.81 4.65 -0.27 2.61 2.01 -1.24 -4.49 115.64 116.10 1qhi s THR 201 Ca 0.12 -1.10 -0.13 0.00 0.31 0.00 0.00 61.69 60.89 1qhi s THR 201 Cb -0.05 -4.68 -0.04 0.00 0.01 0.00 0.00 72.50 67.74 1qhi s THR 201 CO 0.15 -1.40 0.28 0.20 -0.69 0.00 0.00 174.62 173.16 1qhi s ASN 202 N 3.58 6.13 -0.16 3.53 0.01 -1.25 -1.45 114.94 125.33 1qhi s ASN 202 Ca 0.24 0.13 -0.01 0.00 -0.71 0.00 0.00 52.86 52.52 1qhi s ASN 202 Cb -0.13 -2.16 -0.01 0.00 0.41 0.00 0.00 41.25 39.36 1qhi s ASN 202 CO 0.00 -0.11 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.73 1qhi s ILE 203 N 1.90 3.01 -0.25 0.60 -1.09 0.00 -1.23 121.20 124.14 1qhi s ILE 203 Ca 0.11 -0.65 -0.08 0.00 -2.23 0.00 0.00 60.65 57.79 1qhi s ILE 203 Cb -0.16 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 1qhi s ILE 203 CO 0.10 0.50 0.10 -0.69 -1.23 0.00 0.00 174.94 173.73 1qhi s VAL 204 N 0.72 4.65 0.08 2.92 1.01 0.04 -0.57 120.40 129.26 1qhi s VAL 204 Ca -0.05 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1qhi s VAL 204 Cb -0.15 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1qhi s VAL 204 CO 0.02 0.33 0.05 -0.76 0.00 0.00 0.00 175.10 174.74 1qhi s LEU 205 N 1.48 3.69 0.37 3.92 1.43 0.10 0.14 118.68 129.81 1qhi s LEU 205 Ca 0.06 -0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1qhi s LEU 205 Cb -0.15 -2.36 -0.06 0.00 0.03 0.00 0.00 46.19 43.65 1qhi s LEU 205 CO 0.05 0.18 0.70 -0.83 0.23 0.00 0.00 176.35 176.68 1qhi s GLY 206 N -2.30 1.85 -0.09 -3.19 0.00 -1.23 -1.37 107.32 100.99 1qhi s GLY 206 Ca 0.27 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 44.64 1qhi s GLY 206 CO 0.20 -0.21 -0.12 0.00 0.00 0.00 0.00 173.10 172.97 1qhi s ALA 207 N -2.32 1.36 -0.30 3.20 0.00 -0.25 -4.85 121.76 118.61 1qhi s ALA 207 Ca 0.48 -0.51 -0.17 0.00 0.00 0.00 0.00 51.96 51.77 1qhi s ALA 207 Cb -0.10 -0.70 0.18 0.00 0.00 0.00 0.00 23.12 22.49 1qhi s ALA 207 CO 0.32 -0.05 1.11 -1.17 0.00 0.00 0.00 175.76 175.98 1qhi s LEU 208 N 0.98 -0.34 0.33 0.00 2.96 -1.26 0.15 118.68 121.50 1qhi s LEU 208 Ca -0.08 0.49 -0.28 0.00 -0.22 0.00 0.00 54.13 54.03 1qhi s LEU 208 Cb -0.15 1.42 -0.13 0.00 0.50 0.00 0.00 46.19 47.84 1qhi s LEU 208 CO -0.00 -0.07 1.28 -2.65 -1.32 0.00 0.00 176.35 173.58 1qhi n PRO 209 N 4.25 2.06 -0.24 0.98 -0.02 -1.26 -4.73 135.00 136.04 1qhi n PRO 209 Ca -0.12 0.72 0.01 0.00 -2.02 0.00 0.00 63.50 62.09 1qhi n PRO 209 Cb 0.55 -2.29 0.08 0.00 -0.02 0.00 0.00 33.50 31.82 1qhi n PRO 209 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1qhi h GLU 210 N 2.65 -0.01 -0.05 -0.52 4.81 -2.01 -1.40 114.58 118.05 1qhi h GLU 210 Ca -0.45 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.70 1qhi h GLU 210 Cb 1.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1qhi h GLU 210 CO 0.63 -0.01 -0.33 0.38 -0.73 0.00 0.00 179.01 178.95 1qhi h ASP 211 N -0.01 0.09 0.39 1.04 -0.00 -1.99 0.11 116.42 116.05 1qhi h ASP 211 Ca 0.34 -0.03 -0.15 0.00 -0.00 0.00 0.00 57.03 57.19 1qhi h ASP 211 Cb 0.53 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 39.82 1qhi h ASP 211 CO -0.74 0.43 -0.62 -0.09 -0.00 0.00 0.00 179.24 178.22 1qhi h ARG 212 N 0.08 0.22 -0.45 4.15 1.12 -1.71 -1.56 114.38 116.23 1qhi h ARG 212 Ca 0.01 -0.16 -0.07 0.00 -1.11 0.00 0.00 59.98 58.65 1qhi h ARG 212 Cb 0.64 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.60 1qhi h ARG 212 CO 0.05 0.77 -0.00 1.25 -3.11 0.00 0.00 179.97 178.92 1qhi h HIS 213 N 0.16 0.87 -0.72 2.20 2.76 -0.44 0.15 115.15 120.14 1qhi h HIS 213 Ca -0.01 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.01 1qhi h HIS 213 Cb 1.12 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.82 1qhi h HIS 213 CO 0.02 0.85 0.46 0.82 -1.30 0.00 0.00 177.93 178.78 1qhi h ILE 214 N 0.64 1.20 0.35 6.26 2.04 -0.57 0.42 117.51 127.85 1qhi h ILE 214 Ca 0.13 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1qhi h ILE 214 Cb 0.50 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1qhi h ILE 214 CO 0.02 0.20 -0.25 0.44 0.00 0.00 0.00 178.15 178.56 1qhi h ASP 215 N 0.98 -0.63 -0.76 1.72 3.45 -0.75 -0.98 116.42 119.45 1qhi h ASP 215 Ca 0.26 0.04 0.06 0.00 0.43 0.00 0.00 57.03 57.83 1qhi h ASP 215 Cb -0.08 0.20 -0.06 0.00 -0.56 0.00 0.00 39.33 38.83 1qhi h ASP 215 CO -0.05 -0.38 0.45 0.03 -1.57 0.00 0.00 179.24 177.71 1qhi h ARG 216 N -0.59 0.78 -0.26 3.56 2.47 -0.36 -2.48 114.38 117.50 1qhi h ARG 216 Ca -0.03 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1qhi h ARG 216 Cb 0.50 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1qhi h ARG 216 CO 0.01 0.52 0.15 1.25 0.56 0.00 0.00 179.97 182.46 1qhi h LEU 217 N 0.81 0.32 -1.41 3.04 6.46 0.10 -2.21 115.31 122.42 1qhi h LEU 217 Ca 0.34 -0.06 0.12 0.00 -0.12 0.00 0.00 57.88 58.16 1qhi h LEU 217 Cb 0.20 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 39.99 1qhi h LEU 217 CO -0.19 0.29 0.52 0.00 -0.62 0.00 0.00 178.44 178.45 1qhi h ALA 218 N 1.04 1.89 0.00 1.25 0.00 -0.75 -0.87 119.26 121.83 1qhi h ALA 218 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1qhi h ALA 218 Cb 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1qhi h ALA 218 CO -0.02 -0.09 -0.06 1.57 0.00 0.00 0.00 179.25 180.65 1qhi h LYS 219 N 0.61 0.00 -1.86 0.00 2.10 -1.01 -3.38 116.57 113.04 1qhi h LYS 219 Ca 0.38 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.53 1qhi h LYS 219 Cb 0.64 0.00 -0.34 0.00 -0.90 0.00 0.00 32.23 31.63 1qhi h LYS 219 CO -0.15 0.06 -0.95 0.54 -2.00 0.00 0.00 179.45 176.95 1qhi n ARG 220 N -3.20 0.51 -2.69 0.07 5.12 -0.33 -5.10 116.66 111.04 1qhi n ARG 220 Ca 0.00 -2.97 -0.37 0.00 -1.93 0.00 0.00 57.85 52.59 1qhi n ARG 220 Cb 0.32 -1.42 -0.06 0.00 -1.16 0.00 0.00 32.46 30.14 1qhi n ARG 220 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1qhi s GLN 221 N -0.39 4.41 0.47 5.56 -1.52 -1.23 -4.90 119.66 122.06 1qhi s GLN 221 Ca 0.34 1.39 0.01 0.00 -1.95 0.00 0.00 55.36 55.15 1qhi s GLN 221 Cb 0.12 -2.67 0.01 0.00 -0.22 0.00 0.00 33.01 30.25 1qhi s GLN 221 CO -0.15 0.10 0.69 1.03 -0.25 0.00 0.00 175.29 176.71 1qhi s ARG 222 N -2.29 2.90 0.05 2.91 1.81 -1.26 -4.99 118.95 118.07 1qhi s ARG 222 Ca 0.54 -0.64 -0.31 0.00 -1.72 0.00 0.00 55.73 53.60 1qhi s ARG 222 Cb -0.19 -2.56 -0.10 0.00 -0.45 0.00 0.00 34.95 31.65 1qhi s ARG 222 CO 0.25 -0.38 1.93 -2.30 -0.68 0.00 0.00 175.30 174.11 1qhi n PRO 223 N -2.12 2.77 0.00 3.54 -0.02 -1.26 -1.76 135.00 136.14 1qhi n PRO 223 Ca 0.04 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1qhi n PRO 223 Cb 0.58 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 1qhi n PRO 223 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qhi n GLY 224 N 4.44 1.93 3.77 -1.23 0.00 -1.26 -3.96 105.19 108.88 1qhi n GLY 224 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1qhi n GLY 224 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qhi s GLU 225 N -0.49 3.89 -0.10 1.61 2.12 -0.72 -4.20 118.70 120.81 1qhi s GLU 225 Ca 0.00 1.86 0.04 0.00 0.36 0.00 0.00 54.97 57.23 1qhi s GLU 225 Cb 0.00 -2.56 -0.00 0.00 0.26 0.00 0.00 34.13 31.83 1qhi s GLU 225 CO 0.00 -0.46 -0.23 1.03 -0.54 0.00 0.00 175.26 175.05 1qhi s ARG 226 N -2.48 3.03 -0.62 4.30 0.52 -1.26 -4.85 118.95 117.58 1qhi s ARG 226 Ca 0.60 -0.87 -0.26 0.00 -0.52 0.00 0.00 55.73 54.69 1qhi s ARG 226 Cb -0.31 -2.31 -0.08 0.00 0.52 0.00 0.00 34.95 32.77 1qhi s ARG 226 CO 0.38 0.20 2.32 -1.17 0.02 0.00 0.00 175.30 177.05 1qhi s LEU 227 N 0.29 3.22 -0.36 2.53 0.20 -1.26 -4.91 118.68 118.39 1qhi s LEU 227 Ca -0.17 0.58 -0.10 0.00 0.69 0.00 0.00 54.13 55.13 1qhi s LEU 227 Cb -0.17 -2.52 0.03 0.00 -0.43 0.00 0.00 46.19 43.09 1qhi s LEU 227 CO 0.08 -3.12 0.18 -0.62 -0.29 0.00 0.00 176.35 172.58 1qhi s ASP 228 N 11.10 5.62 0.31 3.68 -1.08 -1.26 -4.97 116.67 130.08 1qhi s ASP 228 Ca 0.91 -0.99 0.15 0.00 -0.52 0.00 0.00 52.55 52.10 1qhi s ASP 228 Cb -0.15 -1.99 0.42 0.00 -1.46 0.00 0.00 42.92 39.75 1qhi s ASP 228 CO 0.18 -0.36 1.61 -0.07 0.52 0.00 0.00 175.17 177.06 1qhi h LEU 229 N 8.38 0.00 -0.33 -1.34 3.38 -1.99 -1.83 115.31 121.58 1qhi h LEU 229 Ca -0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 1qhi h LEU 229 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1qhi h LEU 229 CO 0.65 0.51 -0.31 0.00 0.09 0.00 0.00 178.44 179.38 1qhi h ALA 230 N 1.49 0.48 -0.28 1.53 0.00 -1.99 -1.82 119.26 118.68 1qhi h ALA 230 Ca -0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1qhi h ALA 230 Cb 1.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1qhi h ALA 230 CO 0.07 0.52 -0.34 1.98 0.00 0.00 0.00 179.25 181.47 1qhi h MET 231 N 0.57 0.60 -0.56 0.00 1.85 -1.96 -0.41 114.93 115.02 1qhi h MET 231 Ca 0.05 -0.28 -0.06 0.00 -0.61 0.00 0.00 59.70 58.80 1qhi h MET 231 Cb 0.89 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.88 1qhi h MET 231 CO 0.08 0.86 0.11 1.25 -0.40 0.00 0.00 176.91 178.82 1qhi h LEU 232 N 0.51 0.83 -0.10 3.39 7.12 -1.22 -0.18 115.31 125.65 1qhi h LEU 232 Ca 0.05 -0.16 -0.12 0.00 0.13 0.00 0.00 57.88 57.78 1qhi h LEU 232 Cb 0.84 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 1qhi h LEU 232 CO 0.07 0.83 -0.42 0.00 -0.13 0.00 0.00 178.44 178.79 1qhi h ALA 233 N 1.28 0.19 -0.23 1.25 0.00 -1.12 -1.63 119.26 119.00 1qhi h ALA 233 Ca 0.18 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1qhi h ALA 233 Cb 0.34 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1qhi h ALA 233 CO 0.00 0.31 -0.05 0.00 0.00 0.00 0.00 179.25 179.52 1qhi h ALA 234 N 0.48 0.17 -0.37 0.00 0.00 -0.84 0.38 119.26 119.07 1qhi h ALA 234 Ca -0.02 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1qhi h ALA 234 Cb 1.05 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1qhi h ALA 234 CO 0.09 -0.46 -0.28 0.97 0.00 0.00 0.00 179.25 179.57 1qhi h ILE 235 N 0.02 1.28 -0.61 0.00 6.09 -1.09 -1.17 117.51 122.02 1qhi h ILE 235 Ca 0.11 -1.41 -0.04 0.00 -1.37 0.00 0.00 64.86 62.15 1qhi h ILE 235 Cb 0.17 1.29 -0.03 0.00 0.47 0.00 0.00 36.82 38.72 1qhi h ILE 235 CO -0.23 0.47 0.22 0.03 -3.07 0.00 0.00 178.15 175.57 1qhi h ARG 236 N 0.66 0.93 -0.14 2.19 3.08 -1.02 -2.39 114.38 117.69 1qhi h ARG 236 Ca 0.08 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 59.97 1qhi h ARG 236 Cb 0.80 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1qhi h ARG 236 CO 0.07 0.80 0.00 -0.09 -1.07 0.00 0.00 179.97 179.68 1qhi h ARG 237 N 0.86 0.05 -0.84 0.04 2.43 -0.46 -1.20 114.38 115.26 1qhi h ARG 237 Ca 0.20 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.42 1qhi h ARG 237 Cb 0.24 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 1qhi h ARG 237 CO -0.01 0.03 0.53 0.28 -1.51 0.00 0.00 179.97 179.29 1qhi h VAL 238 N 0.05 1.07 0.00 0.20 2.07 -1.05 -0.56 116.25 118.03 1qhi h VAL 238 Ca 0.07 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 67.12 1qhi h VAL 238 Cb 0.08 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1qhi h VAL 238 CO -0.11 0.18 -0.62 1.88 0.02 0.00 0.00 177.57 178.92 1qhi h TYR 239 N 0.99 0.00 -0.18 1.57 -1.99 -1.16 0.39 116.97 116.58 1qhi h TYR 239 Ca 0.36 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 61.03 1qhi h TYR 239 Cb 0.11 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.83 1qhi h TYR 239 CO -0.03 0.62 -0.09 0.78 -0.00 0.00 0.00 178.16 179.44 1qhi h GLY 240 N 2.26 0.41 1.00 3.88 0.00 -0.60 -2.32 103.07 107.70 1qhi h GLY 240 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1qhi h GLY 240 CO 0.08 0.34 0.33 1.41 0.00 0.00 0.00 176.54 178.70 1qhi h LEU 241 N 0.07 0.83 -0.45 3.11 3.38 -1.02 -2.35 115.31 118.87 1qhi h LEU 241 Ca 0.04 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.98 1qhi h LEU 241 Cb 0.57 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 1qhi h LEU 241 CO 0.03 0.70 0.04 0.25 0.09 0.00 0.00 178.44 179.55 1qhi h LEU 242 N 0.89 -0.11 -0.98 1.67 5.85 -0.80 0.33 115.31 122.17 1qhi h LEU 242 Ca 0.23 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 1qhi h LEU 242 Cb 0.08 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1qhi h LEU 242 CO -0.03 -0.02 0.32 0.00 -0.34 0.00 0.00 178.44 178.37 1qhi h ALA 243 N 1.38 1.20 -0.36 1.25 0.00 -1.06 -1.89 119.26 119.77 1qhi h ALA 243 Ca 0.23 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1qhi h ALA 243 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1qhi h ALA 243 CO -0.34 0.60 -0.33 -0.91 0.00 0.00 0.00 179.25 178.27 1qhi h ASN 244 N 1.04 0.83 -0.52 0.00 2.35 -0.75 -2.95 115.58 115.58 1qhi h ASN 244 Ca 0.25 -0.35 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1qhi h ASN 244 Cb 0.15 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1qhi h ASN 244 CO -0.03 1.08 0.33 0.74 -1.65 0.00 0.00 177.43 177.91 1qhi h THR 245 N 0.67 1.11 -0.24 2.81 2.02 0.36 -0.86 112.91 118.78 1qhi h THR 245 Ca 0.07 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1qhi h THR 245 Cb 0.87 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1qhi h THR 245 CO 0.08 0.12 0.13 0.58 0.37 0.00 0.00 175.52 176.80 1qhi h VAL 246 N 0.68 1.11 -0.73 3.16 2.07 -1.37 -0.90 116.25 120.27 1qhi h VAL 246 Ca 0.20 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1qhi h VAL 246 Cb -0.05 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1qhi h VAL 246 CO -0.06 0.10 0.43 0.03 0.02 0.00 0.00 177.57 178.10 1qhi h ARG 247 N 0.28 0.99 0.03 1.57 3.08 -1.33 0.09 114.38 119.09 1qhi h ARG 247 Ca 0.08 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1qhi h ARG 247 Cb 0.05 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1qhi h ARG 247 CO -0.01 0.70 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.65 1qhi h TYR 248 N 1.00 -0.04 -0.59 3.04 3.20 -0.84 -1.93 116.97 120.82 1qhi h TYR 248 Ca 0.26 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 1qhi h TYR 248 Cb -0.03 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1qhi h TYR 248 CO 0.00 0.05 0.09 -0.07 -1.64 0.00 0.00 178.16 176.59 1qhi h LEU 249 N -0.12 0.94 -1.45 2.82 3.38 -0.82 -0.17 115.31 119.89 1qhi h LEU 249 Ca -0.00 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1qhi h LEU 249 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1qhi h LEU 249 CO 0.01 0.97 -0.20 1.56 0.09 0.00 0.00 178.44 180.86 1qhi h GLN 250 N 0.88 0.10 -0.15 1.13 4.20 -0.88 -2.34 115.11 118.05 1qhi h GLN 250 Ca 0.18 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1qhi h GLN 250 Cb 0.43 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1qhi h GLN 250 CO 0.01 0.31 0.00 0.00 -0.67 0.00 0.00 178.83 178.48 1qhi n GLY 252 N 0.88 0.92 3.75 0.00 0.00 -0.88 -4.87 105.19 104.99 1qhi n GLY 252 Ca 0.10 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1qhi n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qhi s GLY 253 N -2.03 2.56 -0.28 -0.02 0.00 -0.08 -5.01 107.32 102.46 1qhi s GLY 253 Ca 0.00 1.30 0.01 0.00 0.00 0.00 0.00 44.72 46.03 1qhi s GLY 253 CO 0.00 2.15 -0.05 -0.45 0.00 0.00 0.00 173.10 174.75 1qhi s SER 254 N 0.09 4.65 0.21 1.64 0.15 -1.26 -4.65 113.70 114.52 1qhi s SER 254 Ca 0.56 -1.40 -0.10 0.00 0.70 0.00 0.00 55.95 55.71 1qhi s SER 254 Cb -0.41 -1.62 0.22 0.00 -1.71 0.00 0.00 66.02 62.50 1qhi s SER 254 CO 0.47 -0.23 1.83 4.11 1.20 0.00 0.00 173.24 180.61 1qhi h TRP 255 N 7.86 0.75 -0.67 3.44 5.08 -1.96 -0.41 115.95 130.04 1qhi h TRP 255 Ca -0.19 0.02 0.04 0.00 1.08 0.00 0.00 58.89 59.84 1qhi h TRP 255 Cb 1.05 -0.24 -0.04 0.00 -3.00 0.00 0.00 29.16 26.93 1qhi h TRP 255 CO 0.62 0.39 0.44 0.00 -1.28 0.00 0.00 178.44 178.61 1qhi h ARG 256 N 0.76 0.75 -0.04 0.12 3.08 -2.00 0.26 114.38 117.31 1qhi h ARG 256 Ca 0.29 -0.05 -0.24 0.00 0.07 0.00 0.00 59.98 60.05 1qhi h ARG 256 Cb 0.11 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.01 1qhi h ARG 256 CO -0.15 0.50 -0.94 1.49 -1.07 0.00 0.00 179.97 179.80 1qhi h GLU 257 N 0.77 0.66 -0.02 0.04 4.81 -1.68 -3.30 114.58 115.87 1qhi h GLU 257 Ca 0.27 -0.65 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1qhi h GLU 257 Cb 0.11 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1qhi h GLU 257 CO -0.08 1.25 -0.02 -0.25 -0.73 0.00 0.00 179.01 179.19 1qhi n ASP 258 N -3.85 1.70 -0.32 1.04 8.00 -0.28 -4.49 116.55 118.35 1qhi n ASP 258 Ca -0.09 -1.55 0.07 0.00 0.71 0.00 0.00 54.79 53.93 1qhi n ASP 258 Cb 0.83 0.01 0.22 0.00 -0.02 0.00 0.00 41.12 42.16 1qhi n ASP 258 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1qhi h TRP 259 N 2.65 0.95 -0.36 1.24 2.91 -0.59 -2.15 115.95 120.60 1qhi h TRP 259 Ca 0.00 0.03 0.08 0.00 1.13 0.00 0.00 58.89 60.13 1qhi h TRP 259 Cb 0.58 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 28.92 1qhi h TRP 259 CO 0.00 0.32 0.25 0.78 -1.03 0.00 0.00 178.44 178.76 1qhi h GLY 260 N 0.81 0.17 1.64 2.65 0.00 -1.84 -1.78 103.07 104.72 1qhi h GLY 260 Ca 0.47 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.77 1qhi h GLY 260 CO -0.30 0.04 0.15 1.46 0.00 0.00 0.00 176.54 177.89 1qhi h GLN 261 N 0.13 0.00 0.00 4.80 4.20 -1.72 0.25 115.11 122.77 1qhi h GLN 261 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1qhi h GLN 261 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1qhi h GLN 261 CO -0.02 0.00 0.00 -0.07 -0.67 0.00 0.00 178.83 178.07 1qhi h LEU 262 N 0.00 0.00 0.00 1.46 3.38 -1.49 -3.24 115.31 115.43 1qhi h LEU 262 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1qhi h LEU 262 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1qhi h LEU 262 CO -0.00 0.00 -1.62 -1.20 0.09 0.00 0.00 178.44 175.71 1qhi n SER 263 N -2.82 1.70 0.00 -0.43 7.64 0.76 -5.14 113.62 115.33 1qhi n SER 263 Ca 0.03 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1qhi n SER 263 Cb 0.39 1.63 0.00 0.00 -1.01 0.00 0.00 64.21 65.22 1qhi n SER 263 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qhi n GLY 264 N 1.68 0.00 0.95 0.23 0.00 -0.50 -5.14 105.19 102.41 1qhi n GLY 264 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1qhi n GLY 264 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qhi n PRO 280 N 0.00 0.00 -3.71 1.61 -0.07 -1.26 -5.72 135.00 125.86 1qhi n PRO 280 Ca 0.00 0.32 -0.09 0.00 -0.07 0.00 0.00 63.50 63.66 1qhi n PRO 280 Cb 0.00 -0.63 -0.02 0.00 -0.07 0.00 0.00 33.50 32.77 1qhi n PRO 280 CO 0.00 0.00 0.00 -0.98 -0.07 0.00 0.00 175.50 174.45 1qhi s ARG 281 N -0.65 1.55 0.97 0.58 1.70 -1.26 -4.92 118.95 116.92 1qhi s ARG 281 Ca 0.00 -0.82 -0.11 0.00 -0.47 0.00 0.00 55.73 54.33 1qhi s ARG 281 Cb 0.00 0.58 0.17 0.00 -0.57 0.00 0.00 34.95 35.14 1qhi s ARG 281 CO 0.00 -0.69 1.10 -2.14 -1.08 0.00 0.00 175.30 172.49 1qhi s PRO 282 N -3.86 0.65 0.21 3.89 0.02 -1.26 -4.97 135.00 129.67 1qhi s PRO 282 Ca 0.08 1.19 -0.28 0.00 0.02 0.00 0.00 61.00 62.01 1qhi s PRO 282 Cb -0.03 -1.71 -0.09 0.00 0.02 0.00 0.00 34.50 32.69 1qhi s PRO 282 CO -0.01 -2.77 0.87 -1.58 -0.33 0.00 0.00 177.00 173.19 1qhi s HIS 283 N -2.67 3.95 0.66 6.54 2.46 -1.26 -4.91 115.29 120.06 1qhi s HIS 283 Ca 0.66 1.80 0.27 0.00 0.47 0.00 0.00 55.06 58.26 1qhi s HIS 283 Cb -0.22 -2.89 1.45 0.00 -0.13 0.00 0.00 32.58 30.79 1qhi s HIS 283 CO 0.59 0.48 1.82 0.97 -2.47 0.00 0.00 174.74 176.14 1qhi h ILE 284 N 3.23 0.03 0.00 0.89 2.10 -1.93 0.82 117.51 122.66 1qhi h ILE 284 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.48 1qhi h ILE 284 Cb 1.20 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.53 1qhi h ILE 284 CO 0.67 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.35 1qhi n GLY 285 N -1.27 -1.38 1.07 8.18 0.00 -1.26 -2.22 105.19 108.31 1qhi n GLY 285 Ca -0.01 0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1qhi n GLY 285 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qhi n ASP 286 N -2.08 3.34 -4.59 1.61 8.00 0.29 -4.81 116.55 118.30 1qhi n ASP 286 Ca 0.04 -3.34 -0.27 0.00 0.71 0.00 0.00 54.79 51.92 1qhi n ASP 286 Cb 0.29 -0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 40.69 1qhi n ASP 286 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1qhi s THR 287 N -3.02 1.69 0.47 -3.53 -4.23 -0.94 -4.51 115.64 101.57 1qhi s THR 287 Ca 0.44 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.31 1qhi s THR 287 Cb 0.37 -2.82 0.39 0.00 1.34 0.00 0.00 72.50 71.78 1qhi s THR 287 CO 0.05 0.00 2.20 -0.07 -0.54 0.00 0.00 174.62 176.26 1qhi h LEU 288 N 1.77 0.00 -1.83 4.79 3.38 -1.84 -2.83 115.31 118.75 1qhi h LEU 288 Ca -0.43 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.61 1qhi h LEU 288 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1qhi h LEU 288 CO 0.77 0.03 0.27 -0.26 0.09 0.00 0.00 178.44 179.35 1qhi h PHE 289 N 0.00 0.21 0.00 1.13 -1.00 -1.96 -2.32 116.94 113.00 1qhi h PHE 289 Ca -0.00 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1qhi h PHE 289 Cb 0.20 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 1qhi h PHE 289 CO 0.00 0.11 -0.01 0.00 -1.61 0.00 0.00 178.31 176.80 1qhi h THR 290 N 0.21 0.97 0.00 -1.55 1.03 -1.61 -1.84 112.91 110.11 1qhi h THR 290 Ca 0.18 -0.05 -0.04 0.00 -0.01 0.00 0.00 66.41 66.49 1qhi h THR 290 Cb 0.45 1.03 -0.01 0.00 -1.07 0.00 0.00 68.15 68.55 1qhi h THR 290 CO -0.03 0.01 -0.19 -0.07 -0.01 0.00 0.00 175.52 175.23 1qhi h LEU 291 N 0.00 0.00 -1.33 0.00 3.38 -1.64 -3.01 115.31 112.71 1qhi h LEU 291 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qhi h LEU 291 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1qhi h LEU 291 CO 0.00 0.19 0.00 0.49 0.09 0.00 0.00 178.44 179.21 1qhi n PHE 292 N -3.47 0.39 -1.38 1.13 3.01 -0.69 -3.97 117.46 112.48 1qhi n PHE 292 Ca -0.01 -0.20 -0.24 0.00 1.01 0.00 0.00 57.45 58.02 1qhi n PHE 292 Cb 0.36 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.76 1qhi n PHE 292 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1qhi n ARG 293 N 0.54 2.30 -3.64 -1.08 0.00 -1.14 -4.87 116.66 108.78 1qhi n ARG 293 Ca 0.14 -2.07 -0.36 0.00 -0.00 0.00 0.00 57.85 55.56 1qhi n ARG 293 Cb 0.34 -2.09 -0.07 0.00 0.00 0.00 0.00 32.46 30.64 1qhi n ARG 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1qhi s ALA 294 N -1.25 3.67 0.50 5.13 0.00 -1.25 -5.01 121.76 123.55 1qhi s ALA 294 Ca 0.59 -0.51 0.31 0.00 0.00 0.00 0.00 51.96 52.35 1qhi s ALA 294 Cb 0.37 -2.27 1.43 0.00 0.00 0.00 0.00 23.12 22.64 1qhi s ALA 294 CO -0.18 0.24 1.81 -1.00 0.00 0.00 0.00 175.76 176.63 1qhi h PRO 295 N 6.17 0.10 0.00 0.00 0.13 -1.95 0.49 132.00 136.94 1qhi h PRO 295 Ca -0.45 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1qhi h PRO 295 Cb 1.18 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1qhi h PRO 295 CO 0.71 0.07 -0.16 0.93 -0.23 0.00 0.00 178.00 179.31 1qhi h GLU 296 N 0.10 0.00 -0.02 0.86 3.07 -1.96 -2.87 114.58 113.76 1qhi h GLU 296 Ca 0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 1qhi h GLU 296 Cb 1.98 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.89 1qhi h GLU 296 CO -0.08 0.16 0.00 1.28 -1.40 0.00 0.00 179.01 178.97 1qhi n LEU 297 N -3.46 1.79 -4.54 1.33 4.77 0.16 -4.93 117.00 112.12 1qhi n LEU 297 Ca -0.01 -0.60 -0.32 0.00 -0.03 0.00 0.00 56.01 55.06 1qhi n LEU 297 Cb 0.34 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.31 1qhi n LEU 297 CO 0.31 0.30 -0.43 -0.76 -1.33 0.00 0.00 177.39 175.48 1qhi s LEU 298 N -2.00 2.94 0.65 2.23 1.43 -1.08 -2.15 118.68 120.70 1qhi s LEU 298 Ca 0.36 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 1qhi s LEU 298 Cb 0.21 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 1qhi s LEU 298 CO 0.33 0.28 1.05 0.00 0.23 0.00 0.00 176.35 178.24 1qhi s ALA 299 N -0.95 2.99 0.54 4.21 0.00 0.31 -4.86 121.76 124.02 1qhi s ALA 299 Ca 0.16 -0.13 0.45 0.00 0.00 0.00 0.00 51.96 52.44 1qhi s ALA 299 Cb -0.11 -3.08 1.67 0.00 0.00 0.00 0.00 23.12 21.60 1qhi s ALA 299 CO 0.06 -0.86 1.64 -1.35 0.00 0.00 0.00 175.76 175.24 1qhi h PRO 300 N -0.45 0.01 -0.24 0.00 0.11 -1.97 1.17 132.00 130.62 1qhi h PRO 300 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1qhi h PRO 300 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1qhi h PRO 300 CO 0.62 0.01 0.00 0.27 -0.21 0.00 0.00 178.00 178.68 1qhi n ASN 301 N -4.07 1.92 0.00 -2.05 0.23 -1.26 -4.90 115.26 105.12 1qhi n ASN 301 Ca 0.39 -1.81 0.00 0.00 -0.53 0.00 0.00 54.58 52.63 1qhi n ASN 301 Cb 1.78 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 39.32 1qhi n ASN 301 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qhi n GLY 302 N 1.16 1.29 3.77 4.83 0.00 0.40 -5.03 105.19 111.61 1qhi n GLY 302 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1qhi n GLY 302 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qhi s ASP 303 N -3.02 6.62 0.24 1.61 1.01 -1.24 -4.63 116.67 117.26 1qhi s ASP 303 Ca 0.00 2.32 -0.30 0.00 0.71 0.00 0.00 52.55 55.28 1qhi s ASP 303 Cb 0.00 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 1qhi s ASP 303 CO 0.00 -0.61 1.12 -0.76 0.21 0.00 0.00 175.17 175.14 1qhi s LEU 304 N -2.40 4.51 0.47 1.23 1.43 -1.26 0.12 118.68 122.78 1qhi s LEU 304 Ca 0.56 2.23 -0.23 0.00 -1.03 0.00 0.00 54.13 55.66 1qhi s LEU 304 Cb -0.30 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.23 1qhi s LEU 304 CO 0.38 -0.21 1.22 -0.31 0.23 0.00 0.00 176.35 177.65 1qhi s TYR 305 N -0.72 2.74 0.34 0.29 1.51 -0.91 -4.81 117.35 115.79 1qhi s TYR 305 Ca 0.47 1.49 0.07 0.00 -1.01 0.00 0.00 57.07 58.09 1qhi s TYR 305 Cb -0.32 -3.49 0.74 0.00 -0.11 0.00 0.00 41.96 38.78 1qhi s TYR 305 CO 0.39 -1.85 1.87 -0.91 -1.11 0.00 0.00 175.55 173.93 1qhi h ASN 306 N 1.97 0.73 -0.99 2.29 2.35 -1.94 -2.02 115.58 117.97 1qhi h ASN 306 Ca -0.50 0.04 0.11 0.00 -0.55 0.00 0.00 56.30 55.41 1qhi h ASN 306 Cb 1.26 -0.11 -0.08 0.00 0.05 0.00 0.00 38.32 39.44 1qhi h ASN 306 CO 0.60 0.38 0.62 0.58 -1.65 0.00 0.00 177.43 177.96 1qhi h VAL 307 N 0.78 0.93 0.03 2.81 2.07 -1.98 0.63 116.25 121.52 1qhi h VAL 307 Ca 0.45 -0.34 -0.22 0.00 0.82 0.00 0.00 66.70 67.40 1qhi h VAL 307 Cb 0.62 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1qhi h VAL 307 CO -0.21 0.18 -1.04 -0.26 0.02 0.00 0.00 177.57 176.26 1qhi h PHE 308 N 1.00 0.15 -0.58 1.57 0.05 -1.75 -2.86 116.94 114.52 1qhi h PHE 308 Ca 0.49 -0.11 -0.09 0.00 3.82 0.00 0.00 57.97 62.07 1qhi h PHE 308 Cb 0.46 -0.01 -0.02 0.00 2.00 0.00 0.00 35.95 38.38 1qhi h PHE 308 CO -0.01 1.06 -0.01 0.00 -0.18 0.00 0.00 178.31 179.18 1qhi h ALA 309 N 0.90 0.89 -0.35 2.45 0.00 -0.66 -1.72 119.26 120.78 1qhi h ALA 309 Ca -0.05 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1qhi h ALA 309 Cb 1.78 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1qhi h ALA 309 CO 0.15 0.65 -0.12 -1.49 0.00 0.00 0.00 179.25 178.45 1qhi h TRP 310 N 0.93 0.65 -0.00 0.00 6.55 -0.90 -0.85 115.95 122.32 1qhi h TRP 310 Ca 0.17 -0.11 -0.09 0.00 0.95 0.00 0.00 58.89 59.81 1qhi h TRP 310 Cb 0.55 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.66 1qhi h TRP 310 CO 0.04 0.69 -0.41 0.00 -1.05 0.00 0.00 178.44 177.71 1qhi h ALA 311 N 1.33 1.31 0.00 1.49 0.00 -1.19 -2.09 119.26 120.11 1qhi h ALA 311 Ca 0.10 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 1qhi h ALA 311 Cb 0.53 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1qhi h ALA 311 CO 0.03 0.52 -0.84 -0.07 0.00 0.00 0.00 179.25 178.89 1qhi h LEU 312 N 0.01 0.09 -0.75 0.00 3.38 -0.60 -2.34 115.31 115.10 1qhi h LEU 312 Ca -0.00 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1qhi h LEU 312 Cb 0.74 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1qhi h LEU 312 CO 0.05 0.89 0.08 0.44 0.09 0.00 0.00 178.44 179.99 1qhi h ASP 313 N 0.04 0.99 0.30 -0.43 3.32 -0.73 -1.50 116.42 118.41 1qhi h ASP 313 Ca -0.02 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 1qhi h ASP 313 Cb 1.47 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1qhi h ASP 313 CO 0.12 1.00 -0.14 0.58 -1.72 0.00 0.00 179.24 179.07 1qhi h VAL 314 N 0.97 0.74 -0.55 -1.35 2.07 -1.28 -1.48 116.25 115.36 1qhi h VAL 314 Ca 0.19 -0.29 0.11 0.00 0.82 0.00 0.00 66.70 67.53 1qhi h VAL 314 Cb 0.44 0.90 -0.09 0.00 -1.52 0.00 0.00 31.29 31.02 1qhi h VAL 314 CO 0.01 0.06 -0.02 0.25 0.02 0.00 0.00 177.57 177.89 1qhi h LEU 315 N -0.56 -0.29 -1.05 2.57 5.85 -1.34 0.16 115.31 120.65 1qhi h LEU 315 Ca -0.04 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1qhi h LEU 315 Cb 0.41 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1qhi h LEU 315 CO 0.07 -0.11 0.64 0.00 -0.34 0.00 0.00 178.44 178.70 1qhi h ALA 316 N 1.51 1.36 -0.28 1.25 0.00 -1.16 -2.11 119.26 119.83 1qhi h ALA 316 Ca 0.28 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1qhi h ALA 316 Cb 0.44 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1qhi h ALA 316 CO -0.49 0.55 -0.01 -0.22 0.00 0.00 0.00 179.25 179.08 1qhi h LYS 317 N 1.24 0.50 -0.36 0.00 3.64 0.30 -2.77 116.57 119.12 1qhi h LYS 317 Ca 0.38 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1qhi h LYS 317 Cb -0.01 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1qhi h LYS 317 CO -0.11 0.66 -0.29 0.00 -2.27 0.00 0.00 179.45 177.44 1qhi h ARG 318 N 0.28 0.76 0.00 1.90 2.47 -0.73 -3.33 114.38 115.74 1qhi h ARG 318 Ca 0.08 -0.34 -0.21 0.00 -1.26 0.00 0.00 59.98 58.25 1qhi h ARG 318 Cb 0.44 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 1qhi h ARG 318 CO 0.02 0.96 -1.06 -0.07 0.56 0.00 0.00 179.97 180.38 1qhi h LEU 319 N 0.65 0.00 -1.74 3.04 3.38 -1.42 -3.36 115.31 115.86 1qhi h LEU 319 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1qhi h LEU 319 Cb 0.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1qhi h LEU 319 CO 0.07 0.96 -0.12 -0.09 0.09 0.00 0.00 178.44 179.35 1qhi h ARG 320 N 0.00 0.02 -0.61 1.13 2.43 -1.59 -2.69 114.38 113.06 1qhi h ARG 320 Ca -0.05 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1qhi h ARG 320 Cb 1.77 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.31 1qhi h ARG 320 CO 0.12 0.14 0.01 -1.13 -1.51 0.00 0.00 179.97 177.59 1qhi n SER 321 N -4.39 5.44 -4.91 -3.80 3.41 -1.26 -4.71 113.62 103.40 1qhi n SER 321 Ca -0.02 -2.88 -0.29 0.00 -0.26 0.00 0.00 58.87 55.41 1qhi n SER 321 Cb 0.20 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.43 1qhi n SER 321 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1qhi s MET 322 N -2.66 3.60 -0.32 4.33 -1.94 -1.02 -4.72 119.30 116.58 1qhi s MET 322 Ca 0.51 -0.11 -0.06 0.00 -1.71 0.00 0.00 55.69 54.32 1qhi s MET 322 Cb 0.39 -2.77 0.03 0.00 2.01 0.00 0.00 34.83 34.49 1qhi s MET 322 CO 0.15 0.36 0.08 -1.01 -0.01 0.00 0.00 175.02 174.59 1qhi s HIS 323 N -1.86 3.22 -0.12 -0.03 0.09 -0.53 -5.04 115.29 111.02 1qhi s HIS 323 Ca 0.42 -1.34 -0.09 0.00 -0.00 0.00 0.00 55.06 54.05 1qhi s HIS 323 Cb -0.11 -2.25 -0.04 0.00 -0.00 0.00 0.00 32.58 30.17 1qhi s HIS 323 CO 0.27 -0.69 0.19 0.08 -0.00 0.00 0.00 174.74 174.59 1qhi s VAL 324 N 1.42 5.40 -0.03 -0.90 1.01 -1.26 -0.82 120.40 125.21 1qhi s VAL 324 Ca -0.01 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1qhi s VAL 324 Cb -0.19 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1qhi s VAL 324 CO 0.02 0.56 -0.07 -0.36 0.00 0.00 0.00 175.10 175.25 1qhi s PHE 325 N -0.64 0.86 -0.17 5.22 0.40 0.27 -4.96 117.98 118.95 1qhi s PHE 325 Ca 0.15 -0.23 -0.12 0.00 -0.60 0.00 0.00 56.93 56.12 1qhi s PHE 325 Cb -0.13 -0.67 -0.05 0.00 0.51 0.00 0.00 43.02 42.69 1qhi s PHE 325 CO 0.04 -0.14 0.23 0.42 0.70 0.00 0.00 175.22 176.47 1qhi s ILE 326 N 0.51 5.35 -0.24 0.64 -1.09 -1.26 0.00 121.20 125.11 1qhi s ILE 326 Ca -0.08 0.41 -0.01 0.00 -2.23 0.00 0.00 60.65 58.75 1qhi s ILE 326 Cb -0.11 -3.57 0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1qhi s ILE 326 CO 0.01 0.41 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.84 1qhi s LEU 327 N 0.38 3.08 -0.24 2.97 2.96 -0.47 -4.95 118.68 122.41 1qhi s LEU 327 Ca 0.13 -0.84 -0.29 0.00 -0.22 0.00 0.00 54.13 52.92 1qhi s LEU 327 Cb -0.12 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 1qhi s LEU 327 CO 0.02 -0.11 1.43 -0.62 -1.32 0.00 0.00 176.35 175.74 1qhi s ASP 328 N 1.32 6.61 0.06 3.68 2.15 -1.26 -1.09 116.67 128.14 1qhi s ASP 328 Ca 0.01 1.48 0.25 0.00 0.43 0.00 0.00 52.55 54.72 1qhi s ASP 328 Cb -0.16 -2.54 0.41 0.00 -0.30 0.00 0.00 42.92 40.33 1qhi s ASP 328 CO -0.05 -1.08 1.35 -1.22 -0.17 0.00 0.00 175.17 174.00 1qhi n TYR 329 N 7.73 0.26 -0.75 -5.34 4.02 0.12 -4.52 117.16 118.68 1qhi n TYR 329 Ca 0.16 0.08 -0.16 0.00 -0.01 0.00 0.00 57.90 57.97 1qhi n TYR 329 Cb 0.46 -0.45 -0.07 0.00 -0.02 0.00 0.00 39.34 39.26 1qhi n TYR 329 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1qhi n ASP 330 N -1.81 4.47 -1.07 7.72 -0.08 -1.23 -4.69 116.55 119.87 1qhi n ASP 330 Ca 0.04 -2.25 -0.00 0.00 -1.51 0.00 0.00 54.79 51.07 1qhi n ASP 330 Cb 0.39 -1.05 0.00 0.00 2.34 0.00 0.00 41.12 42.80 1qhi n ASP 330 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qhi n GLN 331 N 3.29 0.04 -2.81 -0.67 10.64 -1.26 -5.12 117.38 121.49 1qhi n GLN 331 Ca 0.39 -0.09 -0.32 0.00 -1.83 0.00 0.00 57.00 55.15 1qhi n GLN 331 Cb 0.40 0.11 -0.04 0.00 -0.86 0.00 0.00 30.24 29.85 1qhi n GLN 331 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1qhi s SER 332 N -1.08 6.65 0.45 2.61 1.04 -1.26 -4.79 113.70 117.32 1qhi s SER 332 Ca 0.01 1.33 0.20 0.00 0.48 0.00 0.00 55.95 57.97 1qhi s SER 332 Cb -0.00 -2.40 1.16 0.00 0.10 0.00 0.00 66.02 64.88 1qhi s SER 332 CO 0.01 -0.39 1.88 -0.65 0.98 0.00 0.00 173.24 175.07 1qhi h PRO 333 N 1.49 0.30 -0.02 4.02 0.11 -1.96 1.19 132.00 137.13 1qhi h PRO 333 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1qhi h PRO 333 Cb 1.18 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1qhi h PRO 333 CO 0.63 0.20 -0.00 0.00 -0.21 0.00 0.00 178.00 178.62 1qhi h ALA 334 N 1.62 0.03 -0.06 -0.75 0.00 -1.97 -1.25 119.26 116.88 1qhi h ALA 334 Ca 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1qhi h ALA 334 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1qhi h ALA 334 CO -0.12 -0.28 0.02 0.78 0.00 0.00 0.00 179.25 179.64 1qhi h GLY 335 N -0.32 0.10 0.43 0.00 0.00 -0.61 0.38 103.07 103.06 1qhi h GLY 335 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 47.33 47.36 1qhi h GLY 335 CO 0.00 0.06 0.27 0.00 0.00 0.00 0.00 176.54 176.87 1qhi h ARG 337 N 0.47 1.07 -0.57 0.00 1.12 -0.99 -0.36 114.38 115.12 1qhi h ARG 337 Ca 0.32 -0.33 -0.05 0.00 -1.11 0.00 0.00 59.98 58.81 1qhi h ARG 337 Cb 0.37 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.20 1qhi h ARG 337 CO -0.29 1.03 0.16 -0.44 -3.11 0.00 0.00 179.97 177.32 1qhi h ASP 338 N 0.98 0.85 -0.36 -3.80 3.45 0.17 -2.85 116.42 114.87 1qhi h ASP 338 Ca 0.18 -0.22 0.05 0.00 0.43 0.00 0.00 57.03 57.47 1qhi h ASP 338 Cb 0.52 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 39.03 1qhi h ASP 338 CO 0.03 0.85 0.10 0.00 -1.57 0.00 0.00 179.24 178.65 1qhi h ALA 339 N 1.04 0.40 -0.94 3.45 0.00 0.19 -2.35 119.26 121.04 1qhi h ALA 339 Ca 0.18 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1qhi h ALA 339 Cb 0.32 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1qhi h ALA 339 CO -0.00 -0.30 0.62 1.25 0.00 0.00 0.00 179.25 180.81 1qhi h LEU 340 N 0.23 0.99 -1.10 0.00 5.85 -0.91 -2.17 115.31 118.22 1qhi h LEU 340 Ca 0.17 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1qhi h LEU 340 Cb 0.17 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1qhi h LEU 340 CO -0.19 0.66 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.06 1qhi h LEU 341 N 1.14 0.00 -0.19 2.25 3.38 -1.21 -3.15 115.31 117.54 1qhi h LEU 341 Ca 0.39 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.20 1qhi h LEU 341 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1qhi h LEU 341 CO -0.13 0.43 -0.49 1.56 0.09 0.00 0.00 178.44 179.90 1qhi h GLN 342 N 0.00 0.67 -0.05 1.13 1.08 -1.03 -3.14 115.11 113.77 1qhi h GLN 342 Ca -0.00 -0.46 0.01 0.00 -1.45 0.00 0.00 58.65 56.75 1qhi h GLN 342 Cb 0.81 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.31 1qhi h GLN 342 CO 0.06 1.08 0.07 -0.07 -0.95 0.00 0.00 178.83 179.02 1qhi h LEU 343 N 0.36 0.00 -2.12 1.46 3.38 -1.45 -2.61 115.31 114.33 1qhi h LEU 343 Ca -0.01 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1qhi h LEU 343 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1qhi h LEU 343 CO 0.11 0.00 0.27 0.74 0.09 0.00 0.00 178.44 179.64 1qhi h THR 344 N 0.00 0.56 -0.18 0.22 2.02 -1.56 -2.71 112.91 111.26 1qhi h THR 344 Ca 0.02 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 1qhi h THR 344 Cb 0.15 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1qhi h THR 344 CO -0.00 0.00 -0.03 0.28 0.37 0.00 0.00 175.52 176.14 1qhi h SER 345 N 0.00 0.24 -0.72 4.18 0.02 -1.67 -2.73 113.55 112.87 1qhi h SER 345 Ca 0.13 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1qhi h SER 345 Cb 0.66 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1qhi h SER 345 CO -0.00 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.61 1qhi n GLY 346 N -1.10 2.57 3.80 -3.77 0.00 -1.02 -4.96 105.19 100.70 1qhi n GLY 346 Ca -0.00 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 1qhi n GLY 346 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qhi s MET 347 N -1.20 4.41 -0.03 1.61 -1.94 -1.03 -5.03 119.30 116.09 1qhi s MET 347 Ca 0.50 1.13 -0.20 0.00 -1.71 0.00 0.00 55.69 55.41 1qhi s MET 347 Cb 0.27 -2.72 -0.05 0.00 2.01 0.00 0.00 34.83 34.34 1qhi s MET 347 CO 0.31 0.26 0.56 0.08 -0.01 0.00 0.00 175.02 176.23 1qhi s VAL 348 N -1.69 4.98 0.26 -6.03 1.01 -1.26 -5.06 120.40 112.61 1qhi s VAL 348 Ca 0.50 1.16 0.06 0.00 0.00 0.00 0.00 61.98 63.69 1qhi s VAL 348 Cb -0.16 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1qhi s VAL 348 CO 0.21 0.41 0.36 -1.10 0.00 0.00 0.00 175.10 174.98 1qhi s GLN 349 N -0.08 3.31 0.10 2.72 -0.21 -1.26 -4.65 119.66 119.59 1qhi s GLN 349 Ca 0.30 -0.85 -0.01 0.00 0.02 0.00 0.00 55.36 54.82 1qhi s GLN 349 Cb -0.17 -2.83 -0.04 0.00 1.00 0.00 0.00 33.01 30.96 1qhi s GLN 349 CO 0.16 0.36 0.02 0.95 -2.12 0.00 0.00 175.29 174.65 1qhi s THR 350 N -2.04 0.17 0.38 -0.19 -4.23 -0.78 -0.28 115.64 108.67 1qhi s THR 350 Ca 0.36 -1.87 -0.05 0.00 -1.18 0.00 0.00 61.69 58.95 1qhi s THR 350 Cb -0.09 -1.83 -0.05 0.00 1.34 0.00 0.00 72.50 71.88 1qhi s THR 350 CO 0.29 -0.69 0.65 -1.00 -0.54 0.00 0.00 174.62 173.33 1qhi s HIS 351 N -3.99 3.51 0.42 3.99 3.76 0.22 0.32 115.29 123.52 1qhi s HIS 351 Ca 0.17 0.69 -0.01 0.00 -0.15 0.00 0.00 55.06 55.77 1qhi s HIS 351 Cb 0.08 -2.17 -0.02 0.00 1.11 0.00 0.00 32.58 31.58 1qhi s HIS 351 CO -0.03 -0.01 0.64 0.14 -0.85 0.00 0.00 174.74 174.63 1qhi s VAL 352 N -2.37 4.57 -0.15 -0.90 -7.23 -0.52 0.15 120.40 113.95 1qhi s VAL 352 Ca 0.45 -0.37 0.15 0.00 -1.81 0.00 0.00 61.98 60.40 1qhi s VAL 352 Cb -0.10 -3.69 0.05 0.00 0.56 0.00 0.00 36.38 33.20 1qhi s VAL 352 CO 0.36 -0.51 1.41 0.00 -0.31 0.00 0.00 175.10 176.05 1qhi h THR 353 N 0.50 0.86 -3.68 5.32 1.03 -0.42 -3.42 112.91 113.10 1qhi h THR 353 Ca -0.48 -2.23 -0.32 0.00 -0.01 0.00 0.00 66.41 63.38 1qhi h THR 353 Cb 1.23 2.41 -0.15 0.00 -1.07 0.00 0.00 68.15 70.58 1qhi h THR 353 CO 0.60 0.49 -0.65 0.42 -0.01 0.00 0.00 175.52 176.36 1qhi s THR 354 N -2.95 0.72 0.21 0.00 -4.23 -1.26 -5.04 115.64 103.09 1qhi s THR 354 Ca 0.04 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.52 1qhi s THR 354 Cb 0.08 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 1qhi s THR 354 CO 0.75 -0.34 1.56 -0.65 -0.54 0.00 0.00 174.62 175.41 1qhi h PRO 355 N 2.58 0.62 -0.07 3.99 0.11 -2.01 -2.68 132.00 134.53 1qhi h PRO 355 Ca -0.37 -0.33 0.00 0.00 0.11 0.00 0.00 66.00 65.41 1qhi h PRO 355 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1qhi h PRO 355 CO 0.63 0.92 0.00 0.41 -0.21 0.00 0.00 178.00 179.75 1qhi n GLY 356 N 0.04 -0.63 0.09 -0.55 0.00 -1.26 -4.24 105.19 98.64 1qhi n GLY 356 Ca -0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1qhi n GLY 356 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qhi h SER 357 N 0.52 0.15 -0.22 1.61 0.02 -1.88 -3.03 113.55 110.72 1qhi h SER 357 Ca 0.00 -0.19 0.06 0.00 -0.84 0.00 0.00 61.79 60.82 1qhi h SER 357 Cb 0.12 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.55 1qhi h SER 357 CO 0.00 0.30 -0.25 0.40 -1.14 0.00 0.00 176.83 176.15 1qhi h ILE 358 N -0.01 0.39 -0.65 3.27 1.08 -1.81 0.18 117.51 119.96 1qhi h ILE 358 Ca 0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 1qhi h ILE 358 Cb 0.20 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 1qhi h ILE 358 CO -0.00 0.00 0.38 -0.65 -0.69 0.00 0.00 178.15 177.19 1qhi h PRO 359 N -0.26 0.89 -0.64 2.37 0.11 -1.87 0.80 132.00 133.40 1qhi h PRO 359 Ca 0.13 -0.09 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 1qhi h PRO 359 Cb 0.46 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 1qhi h PRO 359 CO -0.37 0.65 0.12 1.15 -0.21 0.00 0.00 178.00 179.34 1qhi h THR 360 N 0.89 1.26 -0.22 -1.15 2.02 -1.33 0.13 112.91 114.51 1qhi h THR 360 Ca 0.23 -0.99 -0.11 0.00 0.77 0.00 0.00 66.41 66.31 1qhi h THR 360 Cb -0.01 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1qhi h THR 360 CO -0.04 0.37 -0.34 0.40 0.37 0.00 0.00 175.52 176.28 1qhi h ILE 361 N 0.96 1.29 -0.21 3.11 2.04 -0.45 -1.62 117.51 122.63 1qhi h ILE 361 Ca 0.20 -1.44 -0.04 0.00 1.00 0.00 0.00 64.86 64.58 1qhi h ILE 361 Cb 0.41 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1qhi h ILE 361 CO 0.01 0.45 -0.01 0.00 0.00 0.00 0.00 178.15 178.60 1qhi h ASP 363 N 0.13 0.74 -0.01 0.00 3.45 -0.65 -1.85 116.42 118.22 1qhi h ASP 363 Ca 0.06 -0.01 0.02 0.00 0.43 0.00 0.00 57.03 57.53 1qhi h ASP 363 Cb 0.41 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.97 1qhi h ASP 363 CO 0.01 0.53 -0.14 0.25 -1.57 0.00 0.00 179.24 178.32 1qhi h LEU 364 N 0.87 -0.41 -0.35 1.55 5.85 -1.21 0.15 115.31 121.76 1qhi h LEU 364 Ca 0.25 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1qhi h LEU 364 Cb -0.07 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1qhi h LEU 364 CO -0.06 -0.20 0.22 0.00 -0.34 0.00 0.00 178.44 178.06 1qhi h ALA 365 N 0.72 0.44 -0.29 1.25 0.00 -1.16 -0.18 119.26 120.05 1qhi h ALA 365 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1qhi h ALA 365 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1qhi h ALA 365 CO -0.14 -0.11 -0.28 0.00 0.00 0.00 0.00 179.25 178.71 1qhi h ARG 366 N 0.46 0.59 -0.28 0.00 3.08 -1.22 -1.38 114.38 115.63 1qhi h ARG 366 Ca 0.13 -0.25 -0.19 0.00 0.07 0.00 0.00 59.98 59.75 1qhi h ARG 366 Cb -0.04 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1qhi h ARG 366 CO -0.04 0.81 -0.56 1.15 -1.07 0.00 0.00 179.97 180.26 1qhi h THR 367 N 0.51 1.27 0.15 2.04 2.02 -0.70 -0.86 112.91 117.34 1qhi h THR 367 Ca 0.07 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 65.50 1qhi h THR 367 Cb 0.75 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1qhi h THR 367 CO 0.06 0.57 -0.07 0.15 0.37 0.00 0.00 175.52 176.59 1qhi h PHE 368 N 0.66 -0.19 -0.24 3.16 3.57 -0.93 -1.39 116.94 121.59 1qhi h PHE 368 Ca 0.01 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1qhi h PHE 368 Cb 1.17 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.92 1qhi h PHE 368 CO 0.07 -0.07 -0.08 0.00 -2.23 0.00 0.00 178.31 176.01 1qhi h ALA 369 N 0.59 0.14 -0.90 2.41 0.00 -1.25 0.21 119.26 120.46 1qhi h ALA 369 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1qhi h ALA 369 Cb 0.20 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1qhi h ALA 369 CO 0.03 -0.49 0.59 -0.09 0.00 0.00 0.00 179.25 179.30 1qhi h ARG 370 N -0.02 1.15 0.17 0.00 2.43 -1.09 -0.96 114.38 116.06 1qhi h ARG 370 Ca 0.12 -0.07 -0.34 0.00 -0.81 0.00 0.00 59.98 58.88 1qhi h ARG 370 Cb 0.20 -0.26 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1qhi h ARG 370 CO -0.26 0.76 -1.70 1.49 -1.51 0.00 0.00 179.97 178.75 1qhi h GLU 371 N 1.18 0.37 0.00 0.20 4.81 -0.96 -3.42 114.58 116.76 1qhi h GLU 371 Ca 0.34 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1qhi h GLU 371 Cb -0.08 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1qhi h GLU 371 CO -0.09 1.30 -0.65 -1.33 -0.73 0.00 0.00 179.01 177.51 1qhi n MET 372 N -3.65 3.20 -2.54 1.92 2.81 0.72 -4.83 117.12 114.75 1qhi n MET 372 Ca -0.25 -0.02 -0.41 0.00 -1.81 0.00 0.00 57.70 55.21 1qhi n MET 372 Cb 1.04 -0.98 -0.04 0.00 -0.71 0.00 0.00 33.22 32.54 1qhi n MET 372 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1qhi s GLY 373 N -2.11 2.78 0.17 3.03 0.00 -0.37 -1.43 107.32 109.40 1qhi s GLY 373 Ca 0.02 0.76 0.20 0.00 0.00 0.00 0.00 44.72 45.70 1qhi s GLY 373 CO 0.35 1.71 1.02 0.83 0.00 0.00 0.00 173.10 177.01 1qhi h GLU 374 N 5.70 0.00 0.00 2.90 5.08 -1.85 -3.45 114.58 122.97 1qhi h GLU 374 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1qhi h GLU 374 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1qhi h GLU 374 CO 0.74 0.14 0.00 0.00 -1.00 0.00 0.00 179.01 178.90