#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hyr s LYS 3 N 0.00 4.01 0.03 1.64 0.00 -1.26 -0.47 119.74 123.70 3hyr s LYS 3 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 55.97 55.98 3hyr s LYS 3 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 37.83 34.45 3hyr s LYS 3 CO 0.00 0.42 -0.18 -0.51 0.00 0.00 0.00 175.35 175.08 3hyr s LEU 4 N -0.04 2.14 -0.16 2.77 1.43 -0.76 -4.94 118.68 119.12 3hyr s LEU 4 Ca 0.13 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 3hyr s LEU 4 Cb -0.12 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 3hyr s LEU 4 CO 0.02 0.14 -0.01 0.28 0.23 0.00 0.00 176.35 177.01 3hyr s THR 5 N -0.74 4.15 -0.07 5.49 -1.32 -1.26 -1.53 115.64 120.37 3hyr s THR 5 Ca 0.06 -0.26 0.05 0.00 -1.21 0.00 0.00 61.69 60.32 3hyr s THR 5 Cb -0.08 -2.84 -0.00 0.00 -1.51 0.00 0.00 72.50 68.07 3hyr s THR 5 CO 0.01 0.48 -0.22 -0.63 -2.21 0.00 0.00 174.62 172.06 3hyr s ILE 6 N 0.37 1.83 -0.07 5.08 1.01 0.05 -0.21 121.20 129.26 3hyr s ILE 6 Ca -0.02 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 3hyr s ILE 6 Cb -0.14 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 3hyr s ILE 6 CO 0.02 0.51 0.23 -0.83 0.00 0.00 0.00 174.94 174.87 3hyr s GLY 7 N 0.09 2.26 -0.23 6.18 0.00 -0.86 -0.85 107.32 113.90 3hyr s GLY 7 Ca -0.09 -0.52 -0.09 0.00 0.00 0.00 0.00 44.72 44.02 3hyr s GLY 7 CO 0.05 -0.25 0.11 -2.27 0.00 0.00 0.00 173.10 170.73 3hyr s LEU 8 N -1.16 3.81 -0.06 0.66 0.20 0.56 -0.89 118.68 121.79 3hyr s LEU 8 Ca 0.19 -0.01 -0.03 0.00 0.69 0.00 0.00 54.13 54.98 3hyr s LEU 8 Cb -0.13 -2.01 0.03 0.00 -0.43 0.00 0.00 46.19 43.65 3hyr s LEU 8 CO 0.08 0.05 0.13 -0.51 -0.29 0.00 0.00 176.35 175.82 3hyr s ILE 9 N 1.11 -0.04 0.25 6.68 2.07 -0.31 -1.51 121.20 129.45 3hyr s ILE 9 Ca 0.06 0.16 -0.20 0.00 -1.41 0.00 0.00 60.65 59.26 3hyr s ILE 9 Cb -0.14 -0.21 0.07 0.00 0.13 0.00 0.00 42.46 42.31 3hyr s ILE 9 CO 0.04 0.07 0.97 -0.83 -1.91 0.00 0.00 174.94 173.28 3hyr s GLY 10 N 1.03 0.23 0.85 1.50 0.00 -1.26 -0.98 107.32 108.69 3hyr s GLY 10 Ca -0.08 -0.51 -0.12 0.00 0.00 0.00 0.00 44.72 44.01 3hyr s GLY 10 CO -0.05 1.79 1.18 -1.31 0.00 0.00 0.00 173.10 174.72 3hyr s ASN 11 N -3.34 3.31 1.28 1.64 0.01 -1.20 -1.75 114.94 114.88 3hyr s ASN 11 Ca 0.21 2.30 -0.17 0.00 -0.71 0.00 0.00 52.86 54.48 3hyr s ASN 11 Cb -0.03 -2.58 0.32 0.00 0.41 0.00 0.00 41.25 39.36 3hyr s ASN 11 CO 0.07 -2.85 0.99 -2.16 -1.51 0.00 0.00 177.10 171.64 3hyr s PRO 12 N -4.35 -1.79 -1.17 -0.60 0.04 -1.26 -3.54 135.00 122.33 3hyr s PRO 12 Ca 0.71 0.46 0.00 0.00 0.04 0.00 0.00 61.00 62.20 3hyr s PRO 12 Cb -0.26 -1.48 0.00 0.00 0.04 0.00 0.00 34.50 32.79 3hyr s PRO 12 CO 0.54 -4.20 0.00 0.09 0.04 0.00 0.00 177.00 173.46 3hyr n ASN 13 N -5.20 -3.73 -0.37 6.66 3.02 -1.26 -4.82 115.26 109.56 3hyr n ASN 13 Ca 0.07 0.23 0.07 0.00 -0.03 0.00 0.00 54.58 54.93 3hyr n ASN 13 Cb 0.57 -3.28 0.15 0.00 -0.61 0.00 0.00 39.78 36.61 3hyr n ASN 13 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3hyr n SER 14 N -1.31 2.81 -0.02 6.41 7.64 -1.23 -4.97 113.62 122.95 3hyr n SER 14 Ca -0.14 -2.74 -0.00 0.00 1.01 0.00 0.00 58.87 56.99 3hyr n SER 14 Cb 0.54 -0.36 -0.00 0.00 -1.01 0.00 0.00 64.21 63.38 3hyr n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hyr n GLY 15 N -0.76 0.46 0.24 0.23 0.00 -1.26 -4.64 105.19 99.46 3hyr n GLY 15 Ca 0.14 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 3hyr n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hyr h LYS 16 N 0.56 0.81 -0.50 1.61 3.64 -1.93 -1.45 116.57 119.31 3hyr h LYS 16 Ca -0.01 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 3hyr h LYS 16 Cb 0.03 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3hyr h LYS 16 CO 0.01 0.77 -0.08 1.15 -2.27 0.00 0.00 179.45 179.03 3hyr h THR 17 N 0.70 1.27 -0.57 1.00 2.02 -1.97 -1.66 112.91 113.70 3hyr h THR 17 Ca 0.16 -1.20 0.05 0.00 0.77 0.00 0.00 66.41 66.19 3hyr h THR 17 Cb 0.31 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 3hyr h THR 17 CO -0.00 0.42 0.30 0.74 0.37 0.00 0.00 175.52 177.35 3hyr h THR 18 N 0.79 0.95 -0.64 3.16 2.02 -1.93 -0.68 112.91 116.58 3hyr h THR 18 Ca 0.13 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 3hyr h THR 18 Cb 0.62 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 3hyr h THR 18 CO 0.04 0.10 0.12 0.25 0.37 0.00 0.00 175.52 176.41 3hyr h LEU 19 N 0.57 0.99 -0.12 2.58 5.85 -1.12 -1.69 115.31 122.36 3hyr h LEU 19 Ca 0.25 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3hyr h LEU 19 Cb 0.16 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3hyr h LEU 19 CO -0.17 0.97 -0.12 0.15 -0.34 0.00 0.00 178.44 178.93 3hyr h PHE 20 N 0.98 -0.30 -0.55 1.25 3.57 -0.29 -0.07 116.94 121.53 3hyr h PHE 20 Ca 0.20 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.62 3hyr h PHE 20 Cb 0.39 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3hyr h PHE 20 CO 0.03 -0.18 -0.04 -0.91 -2.23 0.00 0.00 178.31 174.98 3hyr h ASN 21 N -0.15 0.98 -0.78 0.41 2.35 -1.11 -0.88 115.58 116.41 3hyr h ASN 21 Ca 0.08 -0.32 0.04 0.00 -0.55 0.00 0.00 56.30 55.55 3hyr h ASN 21 Cb 0.27 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 3hyr h ASN 21 CO -0.21 1.07 0.49 1.56 -1.65 0.00 0.00 177.43 178.69 3hyr h GLN 22 N 0.87 0.90 0.03 0.81 4.20 -0.95 0.16 115.11 121.14 3hyr h GLN 22 Ca 0.15 -0.05 -0.26 0.00 0.06 0.00 0.00 58.65 58.55 3hyr h GLN 22 Cb 0.59 -0.20 0.02 0.00 0.30 0.00 0.00 27.48 28.18 3hyr h GLN 22 CO 0.04 0.60 -1.07 -0.07 -0.67 0.00 0.00 178.83 177.65 3hyr h LEU 23 N 0.93 0.75 0.00 1.46 3.38 -0.61 -3.36 115.31 117.86 3hyr h LEU 23 Ca 0.32 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3hyr h LEU 23 Cb 0.07 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hyr h LEU 23 CO -0.13 1.44 -1.87 0.35 0.09 0.00 0.00 178.44 178.32 3hyr n THR 24 N -3.79 0.00 0.00 0.22 -2.24 -0.37 -4.58 114.28 103.53 3hyr n THR 24 Ca -0.10 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3hyr n THR 24 Cb 0.90 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3hyr n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hyr n GLY 25 N 1.31 3.06 0.31 3.38 0.00 0.56 -1.21 105.19 112.59 3hyr n GLY 25 Ca -0.03 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.12 3hyr n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hyr n SER 26 N 3.00 0.99 -3.71 1.61 3.41 -1.26 -4.48 113.62 113.17 3hyr n SER 26 Ca 0.00 -1.27 -0.42 0.00 -0.26 0.00 0.00 58.87 56.92 3hyr n SER 26 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3hyr n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hyr n ARG 27 N -0.27 3.72 -3.83 4.33 1.74 -0.35 -4.91 116.66 117.09 3hyr n ARG 27 Ca 0.20 -3.26 -0.12 0.00 -0.77 0.00 0.00 57.85 53.90 3hyr n ARG 27 Cb 0.28 -2.91 -0.10 0.00 -1.02 0.00 0.00 32.46 28.71 3hyr n ARG 27 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3hyr s GLN 28 N 0.63 0.43 -0.06 5.56 -2.07 -1.26 -0.91 119.66 121.98 3hyr s GLN 28 Ca 0.46 -0.10 0.05 0.00 -1.82 0.00 0.00 55.36 53.95 3hyr s GLN 28 Cb 0.13 0.19 -0.02 0.00 -1.09 0.00 0.00 33.01 32.22 3hyr s GLN 28 CO -0.04 -0.09 -0.22 1.03 -1.32 0.00 0.00 175.29 174.65 3hyr s ARG 29 N -0.81 2.55 -0.23 9.60 0.52 0.15 -4.99 118.95 125.75 3hyr s ARG 29 Ca -0.09 -0.84 -0.13 0.00 -0.52 0.00 0.00 55.73 54.15 3hyr s ARG 29 Cb -0.05 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 3hyr s ARG 29 CO 0.02 0.45 0.28 0.08 0.02 0.00 0.00 175.30 176.14 3hyr s VAL 30 N -0.31 5.28 0.00 3.52 1.01 -1.26 -1.85 120.40 126.79 3hyr s VAL 30 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.43 3hyr s VAL 30 Cb -0.13 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3hyr s VAL 30 CO 0.02 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.02 3hyr n GLY 31 N 4.19 5.24 3.29 4.51 0.00 0.20 -4.98 105.19 117.63 3hyr n GLY 31 Ca -0.12 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 3hyr n GLY 31 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hyr s ASN 32 N 1.00 -0.43 0.14 1.61 2.47 -1.26 -2.36 114.94 116.11 3hyr s ASN 32 Ca 0.00 0.82 -0.31 0.00 0.42 0.00 0.00 52.86 53.78 3hyr s ASN 32 Cb 0.00 0.82 -0.09 0.00 -1.45 0.00 0.00 41.25 40.53 3hyr s ASN 32 CO 0.00 -0.14 1.44 0.26 -3.72 0.00 0.00 177.10 174.93 3hyr s TRP 33 N 0.30 3.19 -0.23 0.43 0.52 0.09 -4.75 118.94 118.50 3hyr s TRP 33 Ca -0.01 0.88 -0.41 0.00 0.02 0.00 0.00 56.10 56.58 3hyr s TRP 33 Cb -0.03 -3.75 -0.17 0.00 -1.15 0.00 0.00 33.47 28.36 3hyr s TRP 33 CO -0.00 -2.65 1.54 0.00 0.02 0.00 0.00 176.95 175.86 3hyr n ALA 34 N 3.82 -1.08 -0.49 0.98 0.00 -1.26 -1.32 120.51 121.15 3hyr n ALA 34 Ca 0.12 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3hyr n ALA 34 Cb 0.41 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3hyr n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hyr n GLY 35 N 3.47 1.62 3.69 0.00 0.00 -1.26 -4.98 105.19 107.73 3hyr n GLY 35 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 3hyr n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hyr s VAL 36 N -3.13 1.03 -1.59 1.61 -7.23 -0.44 -5.05 120.40 105.59 3hyr s VAL 36 Ca 0.00 -2.00 0.19 0.00 -1.81 0.00 0.00 61.98 58.36 3hyr s VAL 36 Cb 0.00 -2.23 0.56 0.00 0.56 0.00 0.00 36.38 35.27 3hyr s VAL 36 CO 0.00 0.00 1.46 0.35 -0.31 0.00 0.00 175.10 176.60 3hyr n THR 37 N -1.16 1.07 -2.24 5.32 -2.24 -1.26 -4.44 114.28 109.33 3hyr n THR 37 Ca -0.15 -1.03 -0.42 0.00 -2.27 0.00 0.00 64.05 60.18 3hyr n THR 37 Cb 0.66 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 69.33 3hyr n THR 37 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hyr s VAL 38 N -1.08 3.46 0.24 2.28 1.01 -1.26 -4.90 120.40 120.14 3hyr s VAL 38 Ca 0.42 1.07 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 3hyr s VAL 38 Cb 0.22 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.82 3hyr s VAL 38 CO 0.28 0.10 1.50 -0.70 0.00 0.00 0.00 175.10 176.27 3hyr s GLU 39 N 0.90 4.23 -0.28 2.72 2.12 -1.26 -0.73 118.70 126.39 3hyr s GLU 39 Ca 0.62 2.37 0.02 0.00 0.36 0.00 0.00 54.97 58.33 3hyr s GLU 39 Cb -0.35 -3.10 0.06 0.00 0.26 0.00 0.00 34.13 31.00 3hyr s GLU 39 CO 0.31 -0.50 -0.05 0.50 -0.54 0.00 0.00 175.26 174.98 3hyr s ARG 40 N -0.08 2.20 -0.06 4.30 3.52 -1.00 -4.71 118.95 123.12 3hyr s ARG 40 Ca 0.62 -1.40 -0.18 0.00 -0.13 0.00 0.00 55.73 54.64 3hyr s ARG 40 Cb -0.43 -3.03 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 3hyr s ARG 40 CO 0.42 -0.64 0.51 0.15 -0.81 0.00 0.00 175.30 174.92 3hyr s LYS 41 N 1.12 4.27 0.15 5.12 1.02 -1.26 -0.63 119.74 129.53 3hyr s LYS 41 Ca -0.05 0.54 0.08 0.00 0.02 0.00 0.00 55.97 56.56 3hyr s LYS 41 Cb -0.20 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 3hyr s LYS 41 CO -0.04 0.30 -0.19 -1.21 -0.92 0.00 0.00 175.35 173.29 3hyr s GLU 42 N 0.11 1.23 0.25 1.68 2.02 -0.77 -1.61 118.70 121.61 3hyr s GLU 42 Ca 0.27 -1.34 -0.16 0.00 0.02 0.00 0.00 54.97 53.77 3hyr s GLU 42 Cb -0.16 -1.34 0.01 0.00 0.10 0.00 0.00 34.13 32.74 3hyr s GLU 42 CO 0.13 0.28 0.55 0.20 0.02 0.00 0.00 175.26 176.44 3hyr s GLY 43 N -2.46 0.26 -0.05 -1.39 0.00 -0.37 -0.67 107.32 102.63 3hyr s GLY 43 Ca 0.13 -0.62 0.03 0.00 0.00 0.00 0.00 44.72 44.26 3hyr s GLY 43 CO 0.06 -0.42 -0.12 1.20 0.00 0.00 0.00 173.10 173.82 3hyr s GLN 44 N -3.97 1.50 0.14 2.90 -1.52 -0.09 -0.98 119.66 117.64 3hyr s GLN 44 Ca 0.17 -0.41 -0.03 0.00 -1.95 0.00 0.00 55.36 53.14 3hyr s GLN 44 Cb -0.02 -1.29 -0.03 0.00 -0.22 0.00 0.00 33.01 31.44 3hyr s GLN 44 CO 0.07 0.09 0.12 -0.59 -0.25 0.00 0.00 175.29 174.72 3hyr s PHE 45 N 0.44 0.77 0.20 0.91 -0.12 -0.53 -4.49 117.98 115.16 3hyr s PHE 45 Ca -0.10 -1.14 0.11 0.00 -0.05 0.00 0.00 56.93 55.76 3hyr s PHE 45 Cb -0.13 -0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 41.83 3hyr s PHE 45 CO 0.02 -0.58 -0.22 -1.54 -0.05 0.00 0.00 175.22 172.85 3hyr s SER 46 N -3.04 3.51 0.00 1.98 1.04 -1.26 -0.00 113.70 115.93 3hyr s SER 46 Ca 0.24 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3hyr s SER 46 Cb 0.06 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.89 3hyr s SER 46 CO 0.02 0.11 0.00 0.41 0.98 0.00 0.00 173.24 174.76 3hyr n THR 47 N 0.14 0.00 -0.12 2.02 -1.04 0.60 -4.96 114.28 110.92 3hyr n THR 47 Ca -0.12 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.77 3hyr n THR 47 Cb 0.56 -0.24 -0.02 0.00 -1.82 0.00 0.00 70.33 68.82 3hyr n THR 47 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3hyr h THR 48 N 0.33 1.27 -0.00 12.58 2.02 -2.00 -3.34 112.91 123.77 3hyr h THR 48 Ca 0.00 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.64 3hyr h THR 48 Cb 0.00 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3hyr h THR 48 CO 0.00 0.52 -0.39 0.47 0.37 0.00 0.00 175.52 176.48 3hyr n ASP 49 N -4.06 0.98 -4.06 4.18 8.00 -1.26 -5.05 116.55 115.26 3hyr n ASP 49 Ca -0.02 -0.99 -0.11 0.00 0.71 0.00 0.00 54.79 54.38 3hyr n ASP 49 Cb 0.54 0.72 -0.11 0.00 -0.02 0.00 0.00 41.12 42.25 3hyr n ASP 49 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3hyr s HIS 50 N -1.81 0.60 -0.25 1.24 3.76 -1.25 -2.33 115.29 115.24 3hyr s HIS 50 Ca 0.07 -0.64 -0.06 0.00 -0.15 0.00 0.00 55.06 54.29 3hyr s HIS 50 Cb 0.09 -0.37 -0.01 0.00 1.11 0.00 0.00 32.58 33.40 3hyr s HIS 50 CO 0.39 -0.15 0.03 -1.14 -0.85 0.00 0.00 174.74 173.02 3hyr s GLN 51 N -2.19 3.38 -0.17 1.40 2.00 0.39 -0.29 119.66 124.17 3hyr s GLN 51 Ca -0.06 -0.65 -0.05 0.00 -2.00 0.00 0.00 55.36 52.61 3hyr s GLN 51 Cb -0.05 -3.22 -0.03 0.00 0.80 0.00 0.00 33.01 30.51 3hyr s GLN 51 CO -0.02 -0.27 -0.01 0.08 -0.50 0.00 0.00 175.29 174.57 3hyr s VAL 52 N 1.53 4.05 -0.34 1.34 1.01 1.00 -1.83 120.40 127.16 3hyr s VAL 52 Ca 0.05 -0.29 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 3hyr s VAL 52 Cb -0.15 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 3hyr s VAL 52 CO 0.01 0.47 0.30 -0.89 0.00 0.00 0.00 175.10 174.99 3hyr s THR 53 N 0.53 5.23 -0.24 3.92 2.01 -0.58 -1.45 115.64 125.06 3hyr s THR 53 Ca -0.02 -0.09 -0.08 0.00 0.31 0.00 0.00 61.69 61.82 3hyr s THR 53 Cb -0.14 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 3hyr s THR 53 CO 0.02 -0.05 0.09 -0.22 -0.69 0.00 0.00 174.62 173.77 3hyr s LEU 54 N 1.87 3.65 -0.33 4.42 2.96 -0.16 -0.77 118.68 130.32 3hyr s LEU 54 Ca 0.09 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.85 3hyr s LEU 54 Cb -0.17 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.58 3hyr s LEU 54 CO 0.11 0.02 0.10 -0.69 -1.32 0.00 0.00 176.35 174.57 3hyr s VAL 55 N 1.28 3.80 -0.13 1.68 1.01 -0.03 -1.24 120.40 126.77 3hyr s VAL 55 Ca 0.05 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 3hyr s VAL 55 Cb -0.15 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 3hyr s VAL 55 CO 0.04 -0.13 1.37 -0.62 0.00 0.00 0.00 175.10 175.76 3hyr s ASP 56 N 1.42 6.87 0.05 3.32 2.15 -0.63 -0.32 116.67 129.53 3hyr s ASP 56 Ca -0.01 1.84 -0.10 0.00 0.43 0.00 0.00 52.55 54.72 3hyr s ASP 56 Cb -0.19 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 39.84 3hyr s ASP 56 CO 0.03 -0.80 0.37 -0.76 -0.17 0.00 0.00 175.17 173.83 3hyr s LEU 57 N 3.59 4.37 0.28 -1.34 1.43 -0.57 -4.37 118.68 122.07 3hyr s LEU 57 Ca 0.60 0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 54.15 3hyr s LEU 57 Cb -0.25 -2.86 -0.13 0.00 0.03 0.00 0.00 46.19 42.98 3hyr s LEU 57 CO 0.19 0.21 1.36 -2.65 0.23 0.00 0.00 176.35 175.69 3hyr n PRO 58 N 1.05 2.08 -1.56 1.29 -0.02 -1.26 -4.81 135.00 131.77 3hyr n PRO 58 Ca -0.09 0.74 -0.46 0.00 -2.02 0.00 0.00 63.50 61.66 3hyr n PRO 58 Cb 0.52 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3hyr n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hyr n GLY 59 N 1.65 -0.44 3.43 -1.23 0.00 -1.26 -4.73 105.19 102.60 3hyr n GLY 59 Ca 0.09 0.37 -0.16 0.00 0.00 0.00 0.00 46.02 46.31 3hyr n GLY 59 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hyr s THR 60 N -0.88 0.02 -0.52 2.61 -1.32 -0.71 -4.51 115.64 110.32 3hyr s THR 60 Ca 0.62 -0.16 0.23 0.00 -1.21 0.00 0.00 61.69 61.17 3hyr s THR 60 Cb -0.77 -0.87 -0.07 0.00 -1.51 0.00 0.00 72.50 69.28 3hyr s THR 60 CO 0.58 -0.09 1.07 -1.22 -2.21 0.00 0.00 174.62 172.75 3hyr n TYR 61 N 1.03 0.44 -3.56 9.09 4.02 -1.26 -3.28 117.16 123.64 3hyr n TYR 61 Ca -0.20 0.13 -0.14 0.00 -0.01 0.00 0.00 57.90 57.68 3hyr n TYR 61 Cb 0.57 -0.58 -0.06 0.00 -0.02 0.00 0.00 39.34 39.24 3hyr n TYR 61 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3hyr s SER 62 N -4.28 -0.57 0.22 7.72 0.15 -1.26 -3.76 113.70 111.92 3hyr s SER 62 Ca 0.03 0.75 0.17 0.00 0.70 0.00 0.00 55.95 57.60 3hyr s SER 62 Cb 0.13 0.64 0.02 0.00 -1.71 0.00 0.00 66.02 65.10 3hyr s SER 62 CO 0.79 -0.44 1.21 -0.07 1.20 0.00 0.00 173.24 175.93 3hyr h LEU 63 N 3.28 0.00 -2.86 3.45 3.38 -1.92 -3.48 115.31 117.16 3hyr h LEU 63 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3hyr h LEU 63 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3hyr h LEU 63 CO 0.29 0.40 0.00 0.41 0.09 0.00 0.00 178.44 179.63 3hyr n THR 64 N -3.03 0.99 -0.15 0.22 -1.04 -1.26 -4.84 114.28 105.16 3hyr n THR 64 Ca -0.02 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 3hyr n THR 64 Cb 0.72 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 3hyr n THR 64 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hyr n SER 71 N 1.31 0.00 -0.09 8.00 3.41 -1.26 -5.09 113.62 119.90 3hyr n SER 71 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 3hyr n SER 71 Cb 0.30 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 3hyr n SER 71 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hyr h LEU 72 N -0.31 0.12 -0.07 1.04 3.38 -2.03 -3.11 115.31 114.34 3hyr h LEU 72 Ca 0.00 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3hyr h LEU 72 Cb 0.11 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3hyr h LEU 72 CO 0.00 0.11 -0.30 0.44 0.09 0.00 0.00 178.44 178.78 3hyr h ASP 73 N 0.25 -0.95 -0.96 -0.43 3.45 -1.97 -1.30 116.42 114.51 3hyr h ASP 73 Ca 0.14 0.11 0.30 0.00 0.43 0.00 0.00 57.03 58.01 3hyr h ASP 73 Cb 0.11 0.37 -0.17 0.00 -0.56 0.00 0.00 39.33 39.08 3hyr h ASP 73 CO -0.14 -0.27 0.25 -0.08 -1.57 0.00 0.00 179.24 177.43 3hyr h GLU 74 N -0.32 0.08 -0.22 3.56 4.81 -1.78 0.00 114.58 120.71 3hyr h GLU 74 Ca 0.02 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 3hyr h GLU 74 Cb 0.37 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3hyr h GLU 74 CO -0.24 0.05 -0.34 1.96 -0.73 0.00 0.00 179.01 179.71 3hyr h GLN 75 N 0.08 0.47 0.49 1.92 4.20 -1.20 -2.74 115.11 118.33 3hyr h GLN 75 Ca 0.66 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 59.13 3hyr h GLN 75 Cb 1.49 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.26 3hyr h GLN 75 CO -0.79 0.76 -0.24 0.82 -0.67 0.00 0.00 178.83 178.71 3hyr h ILE 76 N 0.40 0.47 -0.83 2.54 2.04 -0.19 -0.54 117.51 121.41 3hyr h ILE 76 Ca 0.05 -0.28 0.18 0.00 1.00 0.00 0.00 64.86 65.81 3hyr h ILE 76 Cb 0.80 0.59 -0.15 0.00 -0.74 0.00 0.00 36.82 37.32 3hyr h ILE 76 CO 0.06 0.05 -0.10 0.00 0.00 0.00 0.00 178.15 178.16 3hyr h ALA 77 N -0.42 0.72 -0.21 1.87 0.00 -1.41 -0.31 119.26 119.49 3hyr h ALA 77 Ca -0.07 0.30 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3hyr h ALA 77 Cb 0.58 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3hyr h ALA 77 CO 0.11 -0.43 -0.39 0.00 0.00 0.00 0.00 179.25 178.54 3hyr h HIS 79 N 0.34 1.22 -0.03 0.00 6.17 -0.47 -2.11 115.15 120.26 3hyr h HIS 79 Ca 0.01 -0.06 -0.00 0.00 0.71 0.00 0.00 60.37 61.03 3hyr h HIS 79 Cb 0.98 -0.38 -0.00 0.00 2.52 0.00 0.00 27.41 30.53 3hyr h HIS 79 CO 0.09 0.88 -0.00 -0.92 0.71 0.00 0.00 177.93 178.68 3hyr h TYR 80 N 1.21 0.06 -1.02 5.26 3.20 -0.94 -0.39 116.97 124.35 3hyr h TYR 80 Ca 0.29 -0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.41 3hyr h TYR 80 Cb 0.11 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.27 3hyr h TYR 80 CO 0.01 0.35 0.66 0.82 -1.64 0.00 0.00 178.16 178.37 3hyr h ILE 81 N -0.26 0.55 0.00 1.81 1.08 -0.94 -2.46 117.51 117.29 3hyr h ILE 81 Ca 0.01 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 3hyr h ILE 81 Cb 0.33 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 3hyr h ILE 81 CO 0.00 0.08 -1.42 -0.11 -0.69 0.00 0.00 178.15 176.01 3hyr n LEU 82 N -4.62 0.49 0.28 1.44 7.94 -0.80 -3.90 117.00 117.83 3hyr n LEU 82 Ca 0.25 0.18 0.17 0.00 -1.11 0.00 0.00 56.01 55.49 3hyr n LEU 82 Cb 0.84 -0.04 0.74 0.00 0.53 0.00 0.00 43.42 45.50 3hyr n LEU 82 CO 0.26 -0.10 1.00 -1.28 -1.11 0.00 0.00 177.39 176.15 3hyr h SER 83 N 0.00 0.00 0.00 1.96 0.87 -0.57 -3.47 113.55 112.35 3hyr h SER 83 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hyr h SER 83 Cb 0.99 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 3hyr h SER 83 CO 0.00 0.04 0.00 0.61 -0.53 0.00 0.00 176.83 176.95 3hyr n GLY 84 N -0.19 0.80 0.36 5.77 0.00 -1.23 -4.91 105.19 105.78 3hyr n GLY 84 Ca -0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 3hyr n GLY 84 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3hyr h ASP 85 N 0.00 0.70 -3.74 1.61 3.58 -1.90 -3.42 116.42 113.24 3hyr h ASP 85 Ca 0.00 0.11 -0.49 0.00 0.42 0.00 0.00 57.03 57.07 3hyr h ASP 85 Cb 0.02 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 3hyr h ASP 85 CO 0.00 0.19 0.35 0.00 -2.88 0.00 0.00 179.24 176.90 3hyr s ALA 86 N -5.77 3.34 0.21 -0.78 0.00 -1.26 -4.80 121.76 112.69 3hyr s ALA 86 Ca -0.11 0.62 0.09 0.00 0.00 0.00 0.00 51.96 52.56 3hyr s ALA 86 Cb 0.26 -3.21 0.14 0.00 0.00 0.00 0.00 23.12 20.31 3hyr s ALA 86 CO 0.80 0.20 1.49 -0.44 0.00 0.00 0.00 175.76 177.80 3hyr h ASP 87 N 4.22 0.01 -5.00 0.00 3.32 -0.86 -3.48 116.42 114.64 3hyr h ASP 87 Ca -0.45 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 3hyr h ASP 87 Cb 1.20 -0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.57 3hyr h ASP 87 CO 0.68 0.77 0.10 -0.22 -1.72 0.00 0.00 179.24 178.85 3hyr s LEU 88 N -7.29 -0.34 0.02 1.55 2.96 -1.20 -4.54 118.68 109.85 3hyr s LEU 88 Ca -0.01 0.45 0.06 0.00 -0.22 0.00 0.00 54.13 54.41 3hyr s LEU 88 Cb 0.12 2.30 -0.03 0.00 0.50 0.00 0.00 46.19 49.07 3hyr s LEU 88 CO 0.79 -0.65 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.26 3hyr s LEU 89 N -1.54 2.76 -0.25 -0.68 1.43 -0.31 -2.04 118.68 118.06 3hyr s LEU 89 Ca -0.09 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.60 3hyr s LEU 89 Cb -0.01 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 3hyr s LEU 89 CO 0.04 0.27 0.09 -0.63 0.23 0.00 0.00 176.35 176.36 3hyr s ILE 90 N -0.92 4.53 -0.40 -0.59 1.01 -0.07 -1.68 121.20 123.08 3hyr s ILE 90 Ca 0.15 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.58 3hyr s ILE 90 Cb -0.11 -3.12 0.04 0.00 0.01 0.00 0.00 42.46 39.28 3hyr s ILE 90 CO 0.05 0.33 0.26 0.21 0.00 0.00 0.00 174.94 175.79 3hyr s ASN 91 N 1.58 5.84 -0.33 3.58 2.47 0.34 -1.16 114.94 127.26 3hyr s ASN 91 Ca 0.06 -1.13 -0.24 0.00 0.42 0.00 0.00 52.86 51.98 3hyr s ASN 91 Cb -0.15 -2.06 0.01 0.00 -1.45 0.00 0.00 41.25 37.59 3hyr s ASN 91 CO 0.05 -0.46 0.82 0.54 -3.72 0.00 0.00 177.10 174.33 3hyr s VAL 92 N 1.56 4.73 -0.14 -5.21 0.11 -0.15 -0.57 120.40 120.73 3hyr s VAL 92 Ca 0.03 1.16 -0.01 0.00 -2.93 0.00 0.00 61.98 60.22 3hyr s VAL 92 Cb -0.21 -4.20 -0.02 0.00 -1.53 0.00 0.00 36.38 30.42 3hyr s VAL 92 CO 0.06 -0.34 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.69 3hyr s VAL 93 N 3.10 3.25 -0.55 2.04 1.01 -0.60 -4.34 120.40 124.31 3hyr s VAL 93 Ca 0.34 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 3hyr s VAL 93 Cb -0.13 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.87 3hyr s VAL 93 CO 0.14 0.51 1.42 -0.62 0.00 0.00 0.00 175.10 176.56 3hyr s ASP 94 N 0.40 6.13 0.64 3.32 3.68 -1.26 -0.30 116.67 129.28 3hyr s ASP 94 Ca -0.09 0.34 0.40 0.00 2.13 0.00 0.00 52.55 55.33 3hyr s ASP 94 Cb -0.15 -2.54 2.19 0.00 -1.45 0.00 0.00 42.92 40.96 3hyr s ASP 94 CO 0.05 -1.70 2.31 0.00 0.13 0.00 0.00 175.17 175.96 3hyr h ALA 95 N 11.10 1.12 -0.01 3.66 0.00 -1.70 0.56 119.26 133.99 3hyr h ALA 95 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hyr h ALA 95 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hyr h ALA 95 CO 1.17 0.01 -0.01 -1.13 0.00 0.00 0.00 179.25 179.29 3hyr n SER 96 N -3.26 0.89 -2.68 0.00 3.41 -1.26 -4.01 113.62 106.71 3hyr n SER 96 Ca -0.03 -1.26 -0.08 0.00 -0.26 0.00 0.00 58.87 57.25 3hyr n SER 96 Cb 0.10 -0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.10 3hyr n SER 96 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hyr n ASN 97 N -0.33 0.87 0.04 4.04 3.02 0.17 -4.98 115.26 118.09 3hyr n ASN 97 Ca 0.20 -2.60 -0.11 0.00 -0.03 0.00 0.00 54.58 52.05 3hyr n ASN 97 Cb 0.26 -0.26 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 3hyr n ASN 97 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3hyr h LEU 98 N 2.77 -0.40 -0.25 3.41 5.85 -1.65 -1.43 115.31 123.61 3hyr h LEU 98 Ca -0.14 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3hyr h LEU 98 Cb 1.21 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 3hyr h LEU 98 CO 0.37 -0.19 0.12 -0.08 -0.34 0.00 0.00 178.44 178.32 3hyr h GLU 99 N -0.21 0.36 -0.70 1.25 4.81 -1.93 0.68 114.58 118.83 3hyr h GLU 99 Ca 0.06 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3hyr h GLU 99 Cb 0.29 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3hyr h GLU 99 CO -0.16 0.37 0.26 -0.09 -0.73 0.00 0.00 179.01 178.66 3hyr h ARG 100 N 0.27 1.05 0.00 1.92 2.43 -1.89 -3.00 114.38 115.16 3hyr h ARG 100 Ca 0.09 -0.19 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 3hyr h ARG 100 Cb 0.12 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3hyr h ARG 100 CO -0.01 0.86 -0.60 -0.91 -1.51 0.00 0.00 179.97 177.81 3hyr h ASN 101 N 1.02 0.00 0.88 -3.80 -0.26 -0.36 -3.18 115.58 109.88 3hyr h ASN 101 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 3hyr h ASN 101 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 3hyr h ASN 101 CO -0.02 0.60 0.00 0.18 -1.06 0.00 0.00 177.43 177.13 3hyr n LEU 102 N -3.82 0.29 -0.21 1.61 4.77 0.14 -2.88 117.00 116.91 3hyr n LEU 102 Ca -0.01 0.55 -0.07 0.00 -0.03 0.00 0.00 56.01 56.45 3hyr n LEU 102 Cb 0.60 -0.48 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3hyr n LEU 102 CO 0.42 -0.22 1.03 0.22 -1.33 0.00 0.00 177.39 177.50 3hyr h TYR 103 N 0.00 0.83 -0.65 -1.77 3.20 -1.61 -0.76 116.97 116.22 3hyr h TYR 103 Ca 0.00 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 3hyr h TYR 103 Cb 0.44 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3hyr h TYR 103 CO 0.00 0.63 0.16 1.25 -1.64 0.00 0.00 178.16 178.56 3hyr h LEU 104 N 0.79 0.98 -0.78 2.82 5.85 -1.62 -3.24 115.31 120.11 3hyr h LEU 104 Ca 0.20 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3hyr h LEU 104 Cb 0.10 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3hyr h LEU 104 CO -0.03 0.95 0.44 0.74 -0.34 0.00 0.00 178.44 180.20 3hyr h THR 105 N 0.96 1.23 -0.92 1.05 2.02 -1.53 -2.51 112.91 113.21 3hyr h THR 105 Ca 0.20 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3hyr h THR 105 Cb 0.35 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 3hyr h THR 105 CO 0.00 0.25 0.60 0.25 0.37 0.00 0.00 175.52 176.99 3hyr h LEU 106 N 1.08 1.08 -0.34 2.58 5.85 -1.19 -1.04 115.31 123.33 3hyr h LEU 106 Ca 0.28 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 3hyr h LEU 106 Cb 0.02 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3hyr h LEU 106 CO -0.05 0.80 0.04 1.56 -0.34 0.00 0.00 178.44 180.45 3hyr h GLN 107 N 1.26 0.58 -0.32 1.25 4.20 -1.49 0.11 115.11 120.70 3hyr h GLN 107 Ca 0.34 -0.16 0.07 0.00 0.06 0.00 0.00 58.65 58.95 3hyr h GLN 107 Cb -0.12 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.53 3hyr h GLN 107 CO -0.07 0.67 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.55 3hyr h LEU 108 N 0.40 -0.48 -1.02 1.46 3.38 -1.17 0.93 115.31 118.82 3hyr h LEU 108 Ca 0.10 0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 3hyr h LEU 108 Cb 0.38 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3hyr h LEU 108 CO 0.01 -0.18 -0.10 -0.07 0.09 0.00 0.00 178.44 178.20 3hyr h LEU 109 N -0.09 0.58 -0.67 1.67 3.38 -1.00 -1.16 115.31 118.03 3hyr h LEU 109 Ca 0.16 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3hyr h LEU 109 Cb 0.33 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3hyr h LEU 109 CO -0.38 0.71 -0.13 -0.33 0.09 0.00 0.00 178.44 178.41 3hyr h GLU 110 N 0.55 0.91 0.00 1.13 5.08 -0.44 -1.75 114.58 120.06 3hyr h GLU 110 Ca 0.10 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3hyr h GLU 110 Cb 0.50 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3hyr h GLU 110 CO 0.03 0.98 0.00 -0.07 -1.00 0.00 0.00 179.01 178.94 3hyr h LEU 111 N 0.81 0.00 0.12 1.33 3.38 -0.03 -3.45 115.31 117.47 3hyr h LEU 111 Ca 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3hyr h LEU 111 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3hyr h LEU 111 CO 0.05 0.00 -0.05 0.61 0.09 0.00 0.00 178.44 179.14 3hyr n GLY 112 N -0.46 0.57 3.72 0.83 0.00 -0.51 -4.49 105.19 104.84 3hyr n GLY 112 Ca -0.01 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 3hyr n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hyr s ILE 113 N -2.09 4.72 0.15 -0.61 1.01 -1.16 -4.81 121.20 118.41 3hyr s ILE 113 Ca 0.00 2.01 -0.34 0.00 0.00 0.00 0.00 60.65 62.32 3hyr s ILE 113 Cb 0.00 -4.29 -0.16 0.00 0.01 0.00 0.00 42.46 38.01 3hyr s ILE 113 CO 0.00 0.24 1.13 -2.65 0.00 0.00 0.00 174.94 173.66 3hyr n PRO 114 N 3.38 0.97 -4.04 2.79 -0.02 -1.26 -4.76 135.00 132.06 3hyr n PRO 114 Ca 0.04 0.35 -0.13 0.00 -2.02 0.00 0.00 63.50 61.73 3hyr n PRO 114 Cb 0.50 -1.83 -0.12 0.00 -0.02 0.00 0.00 33.50 32.03 3hyr n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hyr s ILE 116 N -0.91 0.23 -0.23 0.00 1.01 -0.67 -4.06 121.20 116.56 3hyr s ILE 116 Ca -0.07 0.16 -0.22 0.00 0.00 0.00 0.00 60.65 60.52 3hyr s ILE 116 Cb -0.07 -0.39 -0.02 0.00 0.01 0.00 0.00 42.46 42.00 3hyr s ILE 116 CO -0.00 0.21 0.69 -0.69 0.00 0.00 0.00 174.94 175.15 3hyr s VAL 117 N 1.70 4.95 -0.49 2.92 1.01 -0.89 -0.51 120.40 129.10 3hyr s VAL 117 Ca 0.00 1.28 -0.15 0.00 0.00 0.00 0.00 61.98 63.11 3hyr s VAL 117 Cb -0.13 -3.99 0.10 0.00 0.00 0.00 0.00 36.38 32.36 3hyr s VAL 117 CO -0.03 0.03 0.42 0.00 0.00 0.00 0.00 175.10 175.51 3hyr s ALA 118 N 2.41 3.56 -0.35 5.51 0.00 0.26 0.05 121.76 133.20 3hyr s ALA 118 Ca 0.30 -2.30 -0.29 0.00 0.00 0.00 0.00 51.96 49.66 3hyr s ALA 118 Cb -0.16 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 19.89 3hyr s ALA 118 CO 0.09 -1.84 1.21 -0.51 0.00 0.00 0.00 175.76 174.71 3hyr s LEU 119 N 1.59 3.82 -0.48 0.00 1.43 0.09 -1.56 118.68 123.57 3hyr s LEU 119 Ca 0.04 0.97 -0.10 0.00 -1.03 0.00 0.00 54.13 54.01 3hyr s LEU 119 Cb -0.26 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.53 3hyr s LEU 119 CO 0.04 -1.09 0.36 0.21 0.23 0.00 0.00 176.35 176.11 3hyr s ASN 120 N 2.49 5.78 0.00 2.29 2.47 0.59 -0.30 114.94 128.26 3hyr s ASN 120 Ca 0.52 -1.85 0.00 0.00 0.42 0.00 0.00 52.86 51.94 3hyr s ASN 120 Cb -0.13 -2.04 0.00 0.00 -1.45 0.00 0.00 41.25 37.63 3hyr s ASN 120 CO 0.23 -0.71 0.00 0.18 -3.72 0.00 0.00 177.10 173.09 3hyr n LEU 122 N 4.97 0.00 0.12 3.21 7.99 -1.26 -1.80 117.00 130.23 3hyr n LEU 122 Ca -0.09 0.00 -0.00 0.00 -0.01 0.00 0.00 56.01 55.91 3hyr n LEU 122 Cb 0.41 0.00 0.28 0.00 -0.11 0.00 0.00 43.42 43.99 3hyr n LEU 122 CO 0.44 0.00 0.68 0.44 -1.51 0.00 0.00 177.39 177.45 3hyr h ASP 123 N 0.00 0.16 -0.14 -1.43 3.32 -1.98 0.68 116.42 117.03 3hyr h ASP 123 Ca 0.00 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 3hyr h ASP 123 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3hyr h ASP 123 CO 0.00 0.53 -0.32 0.40 -1.72 0.00 0.00 179.24 178.13 3hyr h ILE 124 N 0.14 1.37 0.75 0.35 5.03 -1.99 -2.63 117.51 120.53 3hyr h ILE 124 Ca 0.01 -1.60 -0.03 0.00 -0.12 0.00 0.00 64.86 63.12 3hyr h ILE 124 Cb 0.74 2.04 0.00 0.00 -3.03 0.00 0.00 36.82 36.57 3hyr h ILE 124 CO 0.06 0.48 -0.39 0.00 -0.68 0.00 0.00 178.15 177.61 3hyr h ALA 125 N 0.54 -1.06 -0.83 1.87 0.00 -1.71 -2.68 119.26 115.38 3hyr h ALA 125 Ca -0.00 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 54.88 3hyr h ALA 125 Cb 0.93 0.45 -0.15 0.00 0.00 0.00 0.00 17.79 19.01 3hyr h ALA 125 CO 0.07 -1.10 -0.05 1.05 0.00 0.00 0.00 179.25 179.22 3hyr h GLU 126 N -1.05 0.05 -0.63 0.00 4.11 0.29 0.14 114.58 117.49 3hyr h GLU 126 Ca -0.10 -0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.41 3hyr h GLU 126 Cb 0.82 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 3hyr h GLU 126 CO 0.15 0.04 0.42 0.87 0.07 0.00 0.00 179.01 180.55 3hyr h LYS 127 N 0.06 0.51 -0.68 1.06 1.79 -1.22 -1.67 116.57 116.41 3hyr h LYS 127 Ca 0.45 -0.03 -0.23 0.00 -2.18 0.00 0.00 60.65 58.66 3hyr h LYS 127 Cb 0.81 -0.12 -0.14 0.00 -1.58 0.00 0.00 32.23 31.20 3hyr h LYS 127 CO -0.78 0.34 0.25 0.00 -1.08 0.00 0.00 179.45 178.19 3hyr n GLN 128 N -4.48 3.23 -2.42 3.15 10.64 0.43 -4.94 117.38 123.00 3hyr n GLN 128 Ca 0.10 -3.07 -0.19 0.00 -1.83 0.00 0.00 57.00 52.01 3hyr n GLN 128 Cb 0.31 -2.13 -0.00 0.00 -0.86 0.00 0.00 30.24 27.55 3hyr n GLN 128 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3hyr n ASN 129 N -0.44 -5.45 -4.52 2.61 5.03 -0.63 -4.98 115.26 106.87 3hyr n ASN 129 Ca 0.41 -0.04 -0.40 0.00 0.87 0.00 0.00 54.58 55.42 3hyr n ASN 129 Cb 1.34 -4.49 -0.11 0.00 -1.02 0.00 0.00 39.78 35.51 3hyr n ASN 129 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hyr s ILE 130 N -2.96 5.19 -0.00 2.41 1.01 -0.90 -5.02 121.20 120.93 3hyr s ILE 130 Ca 0.03 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.52 3hyr s ILE 130 Cb -0.01 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 3hyr s ILE 130 CO 0.03 0.04 -0.06 -0.13 0.00 0.00 0.00 174.94 174.83 3hyr s ARG 131 N 1.71 2.60 -0.12 2.79 1.81 -1.26 -3.66 118.95 122.82 3hyr s ARG 131 Ca 0.06 -0.69 0.02 0.00 -1.72 0.00 0.00 55.73 53.40 3hyr s ARG 131 Cb -0.17 -2.54 -0.00 0.00 -0.45 0.00 0.00 34.95 31.79 3hyr s ARG 131 CO 0.10 0.61 -0.20 0.42 -0.68 0.00 0.00 175.30 175.55 3hyr s ILE 132 N -1.00 2.37 -0.89 1.52 -1.09 -1.26 -4.23 121.20 116.61 3hyr s ILE 132 Ca 0.17 -0.90 -0.24 0.00 -2.23 0.00 0.00 60.65 57.45 3hyr s ILE 132 Cb -0.11 -1.95 0.05 0.00 -1.58 0.00 0.00 42.46 38.87 3hyr s ILE 132 CO 0.07 0.54 1.33 -0.70 -1.23 0.00 0.00 174.94 174.96 3hyr s GLU 133 N 0.49 3.42 0.12 2.79 2.56 0.15 -4.89 118.70 123.34 3hyr s GLU 133 Ca -0.13 -0.86 -0.21 0.00 0.00 0.00 0.00 54.97 53.77 3hyr s GLU 133 Cb -0.17 -4.85 -0.06 0.00 2.00 0.00 0.00 34.13 31.05 3hyr s GLU 133 CO 0.05 -2.13 1.71 0.82 -0.56 0.00 0.00 175.26 175.16 3hyr h ILE 134 N 6.40 0.83 -0.07 -3.70 5.03 -1.97 -0.88 117.51 123.15 3hyr h ILE 134 Ca 0.00 0.00 -0.12 0.00 -0.12 0.00 0.00 64.86 64.62 3hyr h ILE 134 Cb 1.03 0.83 -0.01 0.00 -3.03 0.00 0.00 36.82 35.63 3hyr h ILE 134 CO 1.33 0.00 -0.51 0.44 -0.68 0.00 0.00 178.15 178.74 3hyr h ASP 135 N -0.03 0.20 -0.32 1.72 5.19 -1.93 0.43 116.42 121.68 3hyr h ASP 135 Ca 0.07 -0.10 -0.09 0.00 -0.62 0.00 0.00 57.03 56.30 3hyr h ASP 135 Cb 0.13 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 3hyr h ASP 135 CO -0.15 0.67 -0.14 0.00 -3.12 0.00 0.00 179.24 176.50 3hyr h ALA 136 N 1.33 0.45 -0.09 3.45 0.00 -1.91 0.27 119.26 122.76 3hyr h ALA 136 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hyr h ALA 136 Cb 0.95 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3hyr h ALA 136 CO 0.08 0.35 0.04 1.25 0.00 0.00 0.00 179.25 180.96 3hyr h LEU 137 N 0.43 0.13 -0.66 0.00 5.85 -1.03 -2.67 115.31 117.37 3hyr h LEU 137 Ca 0.07 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3hyr h LEU 137 Cb 0.66 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 3hyr h LEU 137 CO 0.04 0.22 0.42 -1.28 -0.34 0.00 0.00 178.44 177.50 3hyr h SER 138 N 0.02 0.69 -0.97 1.25 0.87 -0.77 -1.52 113.55 113.12 3hyr h SER 138 Ca 0.03 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3hyr h SER 138 Cb 0.13 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 61.89 3hyr h SER 138 CO -0.00 0.49 0.63 0.00 -0.53 0.00 0.00 176.83 177.42 3hyr h ALA 139 N 1.27 1.28 0.00 6.23 0.00 -0.44 -0.25 119.26 127.35 3hyr h ALA 139 Ca 0.26 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3hyr h ALA 139 Cb -0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3hyr h ALA 139 CO -0.09 0.65 -0.59 0.00 0.00 0.00 0.00 179.25 179.22 3hyr h ARG 140 N 1.33 0.00 0.03 0.00 3.08 -1.11 -3.27 114.38 114.44 3hyr h ARG 140 Ca 0.36 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.13 3hyr h ARG 140 Cb -0.13 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3hyr h ARG 140 CO -0.07 0.59 -1.51 -0.07 -1.07 0.00 0.00 179.97 177.84 3hyr h LEU 141 N 0.00 0.11 0.00 3.04 3.38 -0.97 -3.47 115.31 117.39 3hyr h LEU 141 Ca -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3hyr h LEU 141 Cb 1.26 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3hyr h LEU 141 CO 0.08 1.15 0.00 0.61 0.09 0.00 0.00 178.44 180.37 3hyr n GLY 142 N 1.55 0.51 3.20 0.83 0.00 -0.13 -4.85 105.19 106.30 3hyr n GLY 142 Ca -0.13 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 3hyr n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hyr s PRO 144 N -3.87 3.13 -0.15 0.00 0.02 -1.26 -4.57 135.00 128.30 3hyr s PRO 144 Ca 0.06 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.94 3hyr s PRO 144 Cb 0.05 -2.04 0.02 0.00 0.02 0.00 0.00 34.50 32.55 3hyr s PRO 144 CO -0.11 -1.09 -0.15 0.08 -0.33 0.00 0.00 177.00 175.41 3hyr s VAL 145 N -1.56 1.64 -0.27 3.83 1.01 -1.26 -2.09 120.40 121.70 3hyr s VAL 145 Ca 0.74 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3hyr s VAL 145 Cb -0.31 -1.53 0.05 0.00 0.00 0.00 0.00 36.38 34.59 3hyr s VAL 145 CO 0.35 0.47 -0.06 -0.63 0.00 0.00 0.00 175.10 175.23 3hyr s ILE 146 N 1.44 2.62 -0.06 2.22 -1.09 0.11 -4.97 121.20 121.48 3hyr s ILE 146 Ca 0.05 -1.41 -0.30 0.00 -2.23 0.00 0.00 60.65 56.76 3hyr s ILE 146 Cb -0.13 -2.48 -0.06 0.00 -1.58 0.00 0.00 42.46 38.21 3hyr s ILE 146 CO -0.11 -0.01 1.71 -2.16 -1.23 0.00 0.00 174.94 173.15 3hyr s PRO 147 N 1.21 4.12 -1.27 2.79 0.04 -1.26 -0.73 135.00 139.90 3hyr s PRO 147 Ca -0.05 2.20 -0.14 0.00 0.04 0.00 0.00 61.00 63.05 3hyr s PRO 147 Cb -0.19 -4.02 0.14 0.00 0.04 0.00 0.00 34.50 30.46 3hyr s PRO 147 CO -0.04 -0.93 1.66 1.28 0.04 0.00 0.00 177.00 179.02 3hyr n LEU 148 N 7.41 5.60 -4.70 -3.56 4.77 0.59 -4.49 117.00 122.63 3hyr n LEU 148 Ca 0.18 -4.36 -0.42 0.00 -0.03 0.00 0.00 56.01 51.38 3hyr n LEU 148 Cb 0.43 -1.62 -0.03 0.00 -2.33 0.00 0.00 43.42 39.87 3hyr n LEU 148 CO 0.63 0.78 1.35 -0.69 -1.33 0.00 0.00 177.39 178.14 3hyr s VAL 149 N 2.00 2.70 -0.08 4.08 1.01 -1.26 -4.74 120.40 124.11 3hyr s VAL 149 Ca 0.45 0.30 0.13 0.00 0.00 0.00 0.00 61.98 62.86 3hyr s VAL 149 Cb 0.03 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 3hyr s VAL 149 CO 0.01 0.01 1.33 0.77 0.00 0.00 0.00 175.10 177.22 3hyr h SER 150 N 7.93 0.00 -2.21 3.32 4.64 -1.96 0.19 113.55 125.46 3hyr h SER 150 Ca -0.44 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.30 3hyr h SER 150 Cb 1.21 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.33 3hyr h SER 150 CO 0.93 0.65 1.01 0.41 -0.87 0.00 0.00 176.83 178.96 3hyr n THR 151 N -3.23 0.36 -2.54 2.95 -1.04 -1.26 -2.52 114.28 107.00 3hyr n THR 151 Ca 0.00 -0.06 -0.09 0.00 -2.04 0.00 0.00 64.05 61.85 3hyr n THR 151 Cb 0.81 -1.82 -0.00 0.00 -1.82 0.00 0.00 70.33 67.49 3hyr n THR 151 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hyr n ARG 152 N 5.42 -2.54 -1.21 -2.82 1.74 -1.26 -1.37 116.66 114.62 3hyr n ARG 152 Ca 0.20 0.39 -0.07 0.00 -0.77 0.00 0.00 57.85 57.59 3hyr n ARG 152 Cb 0.31 -4.96 -0.03 0.00 -1.02 0.00 0.00 32.46 26.76 3hyr n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hyr n GLY 153 N -0.73 0.88 0.16 -0.13 0.00 -1.05 -4.91 105.19 99.41 3hyr n GLY 153 Ca -0.09 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 3hyr n GLY 153 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hyr h ARG 154 N 0.17 -0.22 -0.61 1.61 3.08 -1.31 -2.19 114.38 114.91 3hyr h ARG 154 Ca -0.15 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.04 3hyr h ARG 154 Cb 0.66 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.64 3hyr h ARG 154 CO 0.21 -0.15 -0.16 0.78 -1.07 0.00 0.00 179.97 179.58 3hyr h GLY 155 N -0.23 0.41 0.78 0.04 0.00 -0.84 -0.71 103.07 102.53 3hyr h GLY 155 Ca 0.02 0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.58 3hyr h GLY 155 CO -0.07 -0.23 -0.09 -2.22 0.00 0.00 0.00 176.54 173.93 3hyr h ILE 156 N -0.01 0.77 -0.49 2.60 1.08 -1.67 0.16 117.51 119.95 3hyr h ILE 156 Ca 0.29 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.84 3hyr h ILE 156 Cb 0.46 0.77 -0.07 0.00 -3.07 0.00 0.00 36.82 34.91 3hyr h ILE 156 CO -0.63 0.00 0.12 -0.33 -0.69 0.00 0.00 178.15 176.61 3hyr h GLU 157 N -0.17 0.25 -0.77 2.37 4.39 -0.88 0.39 114.58 120.16 3hyr h GLU 157 Ca 0.03 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 3hyr h GLU 157 Cb 0.20 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 3hyr h GLU 157 CO -0.08 0.17 0.31 0.00 -1.16 0.00 0.00 179.01 178.24 3hyr h ALA 158 N 1.37 1.09 -0.42 3.43 0.00 -0.91 -0.50 119.26 123.31 3hyr h ALA 158 Ca 0.24 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hyr h ALA 158 Cb 0.31 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hyr h ALA 158 CO -0.30 0.65 0.25 1.25 0.00 0.00 0.00 179.25 181.10 3hyr h LEU 159 N 1.12 0.40 -0.74 0.00 5.85 0.19 0.79 115.31 122.92 3hyr h LEU 159 Ca 0.26 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 3hyr h LEU 159 Cb 0.21 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3hyr h LEU 159 CO -0.02 0.28 0.45 0.11 -0.34 0.00 0.00 178.44 178.92 3hyr h LYS 160 N 0.50 1.00 -0.12 1.25 1.57 0.06 -0.04 116.57 120.79 3hyr h LYS 160 Ca 0.17 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3hyr h LYS 160 Cb 0.02 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 3hyr h LYS 160 CO -0.08 0.70 -0.12 1.25 -0.57 0.00 0.00 179.45 180.63 3hyr h LEU 161 N 1.01 -0.38 -1.03 2.94 5.85 -0.90 -2.09 115.31 120.70 3hyr h LEU 161 Ca 0.27 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.17 3hyr h LEU 161 Cb -0.04 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 3hyr h LEU 161 CO -0.05 -0.16 0.63 0.00 -0.34 0.00 0.00 178.44 178.52 3hyr h ALA 162 N 0.92 1.53 -0.54 1.25 0.00 -0.18 -2.11 119.26 120.13 3hyr h ALA 162 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hyr h ALA 162 Cb 0.27 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hyr h ALA 162 CO -0.21 0.24 0.29 0.82 0.00 0.00 0.00 179.25 180.38 3hyr h ILE 163 N 1.00 1.18 0.00 0.00 2.04 -0.66 -1.41 117.51 119.66 3hyr h ILE 163 Ca 0.48 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 3hyr h ILE 163 Cb 0.46 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3hyr h ILE 163 CO -0.25 0.20 -0.15 0.44 0.00 0.00 0.00 178.15 178.39 3hyr h ASP 164 N 0.72 0.00 -0.69 1.72 3.32 -0.91 -2.62 116.42 117.95 3hyr h ASP 164 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3hyr h ASP 164 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3hyr h ASP 164 CO -0.03 0.15 0.00 0.54 -1.72 0.00 0.00 179.24 178.18 3hyr n ARG 165 N -3.84 3.15 -1.54 3.56 1.74 -0.64 -5.03 116.66 114.06 3hyr n ARG 165 Ca -0.02 -2.75 -0.34 0.00 -0.77 0.00 0.00 57.85 53.97 3hyr n ARG 165 Cb 0.25 -1.70 0.08 0.00 -1.02 0.00 0.00 32.46 30.07 3hyr n ARG 165 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3hyr s TYR 166 N -1.35 2.23 0.31 -1.55 -0.85 -0.63 -5.03 117.35 110.47 3hyr s TYR 166 Ca 0.50 1.59 -0.18 0.00 -0.52 0.00 0.00 57.07 58.45 3hyr s TYR 166 Cb 0.28 -3.37 0.03 0.00 0.38 0.00 0.00 41.96 39.28 3hyr s TYR 166 CO 0.30 -2.31 0.70 -1.59 -1.52 0.00 0.00 175.55 171.13 3hyr s LYS 167 N -3.96 1.89 0.40 -3.49 -2.85 -1.26 -5.09 119.74 105.38 3hyr s LYS 167 Ca 0.72 -1.17 -0.25 0.00 -1.00 0.00 0.00 55.97 54.26 3hyr s LYS 167 Cb -0.26 0.59 -0.11 0.00 -2.06 0.00 0.00 37.83 36.00 3hyr s LYS 167 CO 0.44 -0.86 1.17 0.00 0.10 0.00 0.00 175.35 176.19 3hyr n ALA 168 N -0.47 0.81 -1.44 0.59 0.00 -1.26 -4.62 120.51 114.12 3hyr n ALA 168 Ca -0.05 0.27 -0.36 0.00 0.00 0.00 0.00 53.44 53.30 3hyr n ALA 168 Cb 0.60 -2.19 0.08 0.00 0.00 0.00 0.00 19.45 17.94 3hyr n ALA 168 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hyr n ASN 169 N 0.42 0.83 -4.76 0.00 3.02 -1.26 -4.96 115.26 108.55 3hyr n ASN 169 Ca 0.08 0.71 -0.41 0.00 -0.03 0.00 0.00 54.58 54.93 3hyr n ASN 169 Cb 0.39 -1.44 -0.02 0.00 -0.61 0.00 0.00 39.78 38.10 3hyr n ASN 169 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hyr s GLU 170 N -3.32 4.34 -0.91 3.52 0.41 0.17 -4.91 118.70 118.01 3hyr s GLU 170 Ca 0.75 2.22 -0.06 0.00 -0.41 0.00 0.00 54.97 57.48 3hyr s GLU 170 Cb -0.36 -3.08 0.01 0.00 -1.78 0.00 0.00 34.13 28.92 3hyr s GLU 170 CO 0.48 -0.22 2.79 -1.71 -0.49 0.00 0.00 175.26 176.11 3hyr n ASN 171 N 1.08 7.28 -4.80 -0.19 5.15 -1.26 -4.63 115.26 117.88 3hyr n ASN 171 Ca 0.01 -2.97 -0.34 0.00 -0.60 0.00 0.00 54.58 50.69 3hyr n ASN 171 Cb 0.42 -1.36 -0.03 0.00 -0.53 0.00 0.00 39.78 38.28 3hyr n ASN 171 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hyr s VAL 172 N -0.60 3.72 0.19 3.44 0.11 -1.26 -5.02 120.40 120.98 3hyr s VAL 172 Ca 0.60 1.04 -0.30 0.00 -2.93 0.00 0.00 61.98 60.39 3hyr s VAL 172 Cb 0.26 -3.42 -0.09 0.00 -1.53 0.00 0.00 36.38 31.60 3hyr s VAL 172 CO -0.11 -0.26 1.30 -0.70 -3.33 0.00 0.00 175.10 171.99 3hyr s GLU 173 N -3.34 4.40 0.00 1.54 2.12 -1.26 -4.98 118.70 117.18 3hyr s GLU 173 Ca 0.67 2.03 0.00 0.00 0.36 0.00 0.00 54.97 58.03 3hyr s GLU 173 Cb -0.17 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.01 3hyr s GLU 173 CO 0.23 -0.24 0.00 1.28 -0.54 0.00 0.00 175.26 175.98 3hyr n LEU 174 N 2.71 0.00 -4.80 2.70 4.77 -1.26 -5.01 117.00 116.11 3hyr n LEU 174 Ca 0.06 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.66 3hyr n LEU 174 Cb 0.43 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 3hyr n LEU 174 CO 0.58 0.00 0.38 -0.69 -1.33 0.00 0.00 177.39 176.33 3hyr s VAL 175 N 0.00 4.55 -0.72 4.08 1.01 -1.26 -4.88 120.40 123.18 3hyr s VAL 175 Ca 0.00 1.43 -0.12 0.00 0.00 0.00 0.00 61.98 63.28 3hyr s VAL 175 Cb 0.00 -3.99 0.19 0.00 0.00 0.00 0.00 36.38 32.58 3hyr s VAL 175 CO 0.00 0.48 0.64 -2.28 0.00 0.00 0.00 175.10 173.94 3hyr s HIS 176 N -1.20 3.60 0.40 5.22 2.46 -1.26 -5.06 115.29 119.44 3hyr s HIS 176 Ca 0.34 -1.99 -0.22 0.00 0.47 0.00 0.00 55.06 53.67 3hyr s HIS 176 Cb -0.20 -3.70 -0.11 0.00 -0.13 0.00 0.00 32.58 28.44 3hyr s HIS 176 CO 0.22 -0.97 0.93 0.71 -2.47 0.00 0.00 174.74 173.17 3hyr s TYR 177 N 0.44 3.40 0.31 3.88 1.51 -1.26 -4.87 117.35 120.76 3hyr s TYR 177 Ca 0.14 1.62 -0.29 0.00 -1.01 0.00 0.00 57.07 57.54 3hyr s TYR 177 Cb -0.16 -2.85 -0.13 0.00 -0.11 0.00 0.00 41.96 38.72 3hyr s TYR 177 CO -0.06 -0.02 1.34 0.00 -1.11 0.00 0.00 175.55 175.70 3hyr n ALA 178 N -0.35 1.32 -0.28 3.71 0.00 -1.26 -4.85 120.51 118.80 3hyr n ALA 178 Ca 0.06 0.38 0.10 0.00 0.00 0.00 0.00 53.44 53.98 3hyr n ALA 178 Cb 0.53 -2.27 0.25 0.00 0.00 0.00 0.00 19.45 17.96 3hyr n ALA 178 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3hyr h GLN 179 N 3.18 0.21 0.00 0.00 5.75 -2.00 -1.89 115.11 120.36 3hyr h GLN 179 Ca -0.46 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.00 3hyr h GLN 179 Cb 1.28 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.78 3hyr h GLN 179 CO 0.67 0.14 -0.15 -1.35 -2.65 0.00 0.00 178.83 175.49 3hyr h PRO 180 N 0.22 0.00 -0.10 -2.39 0.11 -1.98 0.26 132.00 128.11 3hyr h PRO 180 Ca 0.50 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.58 3hyr h PRO 180 Cb 0.97 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3hyr h PRO 180 CO -0.62 0.15 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.19 3hyr h LEU 181 N 0.00 0.23 -0.74 2.35 3.38 -1.72 -0.65 115.31 118.16 3hyr h LEU 181 Ca -0.00 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.63 3hyr h LEU 181 Cb 0.45 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 3hyr h LEU 181 CO 0.02 0.60 0.40 -0.07 0.09 0.00 0.00 178.44 179.48 3hyr h LEU 182 N -0.15 0.56 0.34 1.67 3.38 -1.17 -0.53 115.31 119.41 3hyr h LEU 182 Ca 0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hyr h LEU 182 Cb 0.52 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3hyr h LEU 182 CO 0.02 0.33 -0.18 0.78 0.09 0.00 0.00 178.44 179.47 3hyr h ASN 183 N 0.69 -0.44 -0.91 -0.43 2.35 -0.37 -0.66 115.58 115.82 3hyr h ASN 183 Ca 0.35 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 3hyr h ASN 183 Cb 0.32 0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.76 3hyr h ASN 183 CO -0.24 -0.30 0.57 -0.08 -1.65 0.00 0.00 177.43 175.73 3hyr h GLU 184 N -0.49 1.22 -0.41 0.81 4.57 -0.94 -1.81 114.58 117.54 3hyr h GLU 184 Ca -0.04 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 57.96 3hyr h GLU 184 Cb 0.39 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3hyr h GLU 184 CO 0.06 0.83 -0.09 0.00 -1.18 0.00 0.00 179.01 178.63 3hyr h ALA 185 N 1.38 1.08 -0.42 2.92 0.00 -0.96 -1.82 119.26 121.43 3hyr h ALA 185 Ca 0.33 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hyr h ALA 185 Cb -0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3hyr h ALA 185 CO -0.07 0.57 0.23 -0.44 0.00 0.00 0.00 179.25 179.55 3hyr h ASP 186 N 0.65 0.37 -0.39 0.00 3.32 -0.32 -0.28 116.42 119.77 3hyr h ASP 186 Ca 0.12 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3hyr h ASP 186 Cb 0.54 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3hyr h ASP 186 CO 0.03 0.26 0.13 0.77 -1.72 0.00 0.00 179.24 178.71 3hyr h SER 187 N 0.47 0.56 -0.53 6.45 4.64 -1.09 -1.93 113.55 122.13 3hyr h SER 187 Ca 0.17 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3hyr h SER 187 Cb 0.04 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 3hyr h SER 187 CO -0.10 0.61 0.25 -0.07 -0.87 0.00 0.00 176.83 176.66 3hyr h LEU 188 N 0.48 0.74 -0.79 5.97 3.38 -1.26 -3.04 115.31 120.79 3hyr h LEU 188 Ca 0.13 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3hyr h LEU 188 Cb 0.25 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3hyr h LEU 188 CO -0.00 0.65 -0.06 0.00 0.09 0.00 0.00 178.44 179.11 3hyr h ALA 189 N 1.47 0.98 0.00 1.53 0.00 -0.45 -3.03 119.26 119.76 3hyr h ALA 189 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hyr h ALA 189 Cb 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hyr h ALA 189 CO -0.02 0.61 0.00 0.36 0.00 0.00 0.00 179.25 180.20 3hyr n LYS 190 N -4.18 0.16 -3.37 0.00 2.85 -0.78 -4.87 118.16 107.97 3hyr n LYS 190 Ca 0.02 0.13 -0.33 0.00 -1.05 0.00 0.00 58.31 57.08 3hyr n LYS 190 Cb 0.35 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.17 3hyr n LYS 190 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3hyr n VAL 191 N -1.38 3.28 -2.99 0.58 0.31 -1.15 -5.07 118.33 111.91 3hyr n VAL 191 Ca 0.07 -5.39 -0.41 0.00 -0.01 0.00 0.00 64.34 58.61 3hyr n VAL 191 Cb 0.19 -2.15 -0.05 0.00 -0.91 0.00 0.00 33.84 30.92 3hyr n VAL 191 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3hyr s PRO 193 N -2.31 4.19 0.08 5.55 0.02 -1.26 -3.63 135.00 137.64 3hyr s PRO 193 Ca 0.34 0.79 0.18 0.00 0.02 0.00 0.00 61.00 62.33 3hyr s PRO 193 Cb 0.07 -3.62 0.74 0.00 0.02 0.00 0.00 34.50 31.71 3hyr s PRO 193 CO -0.01 -0.40 1.55 0.45 -0.33 0.00 0.00 177.00 178.26 3hyr n SER 194 N 5.59 0.20 0.04 2.53 2.88 -1.26 -2.51 113.62 121.10 3hyr n SER 194 Ca 0.02 0.55 0.04 0.00 -1.33 0.00 0.00 58.87 58.15 3hyr n SER 194 Cb 0.49 -0.59 0.19 0.00 -0.75 0.00 0.00 64.21 63.54 3hyr n SER 194 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3hyr n ASP 195 N -1.72 0.15 -4.69 -3.46 5.75 -1.26 -4.51 116.55 106.81 3hyr n ASP 195 Ca 0.03 0.57 -0.35 0.00 -0.01 0.00 0.00 54.79 55.03 3hyr n ASP 195 Cb 0.19 -0.59 -0.09 0.00 -1.03 0.00 0.00 41.12 39.61 3hyr n ASP 195 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3hyr s ILE 196 N -3.14 4.89 0.48 2.12 1.01 -1.04 -5.08 121.20 120.43 3hyr s ILE 196 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.41 3hyr s ILE 196 Cb 0.03 -3.17 -0.08 0.00 0.01 0.00 0.00 42.46 39.25 3hyr s ILE 196 CO 0.09 0.51 1.18 -2.65 0.00 0.00 0.00 174.94 174.07 3hyr n PRO 197 N 3.07 1.59 -0.34 2.79 -0.02 -1.26 -4.72 135.00 136.10 3hyr n PRO 197 Ca -0.17 0.57 0.14 0.00 -2.02 0.00 0.00 63.50 62.02 3hyr n PRO 197 Cb 0.53 -2.31 0.33 0.00 -0.02 0.00 0.00 33.50 32.03 3hyr n PRO 197 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hyr h LEU 198 N 1.57 0.66 -0.55 2.45 5.85 -1.98 1.00 115.31 124.31 3hyr h LEU 198 Ca -0.48 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 3hyr h LEU 198 Cb 1.32 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 3hyr h LEU 198 CO 0.57 0.17 0.30 0.50 -0.34 0.00 0.00 178.44 179.64 3hyr h LYS 199 N 0.63 0.76 -0.07 1.25 3.64 -1.92 -0.85 116.57 120.01 3hyr h LYS 199 Ca 0.59 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 59.72 3hyr h LYS 199 Cb 1.02 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 3hyr h LYS 199 CO -0.44 0.58 -0.67 1.96 -2.27 0.00 0.00 179.45 178.62 3hyr h GLN 200 N 0.73 0.31 -0.33 1.90 4.20 -1.37 -2.00 115.11 118.55 3hyr h GLN 200 Ca 0.19 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3hyr h GLN 200 Cb 0.04 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3hyr h GLN 200 CO -0.03 0.86 0.18 0.00 -0.67 0.00 0.00 178.83 179.17 3hyr h ARG 201 N 0.22 0.47 -0.42 1.46 3.08 -0.57 0.14 114.38 118.75 3hyr h ARG 201 Ca -0.02 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.03 3hyr h ARG 201 Cb 1.21 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.12 3hyr h ARG 201 CO 0.11 0.40 0.16 0.00 -1.07 0.00 0.00 179.97 179.57 3hyr h ARG 202 N 0.42 0.33 -0.42 0.04 3.08 -1.09 -0.88 114.38 115.85 3hyr h ARG 202 Ca 0.12 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.16 3hyr h ARG 202 Cb 0.07 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3hyr h ARG 202 CO -0.02 0.22 0.25 2.35 -1.07 0.00 0.00 179.97 181.70 3hyr h TRP 203 N 0.34 0.47 -0.78 3.04 7.01 -1.01 -2.03 115.95 122.99 3hyr h TRP 203 Ca 0.19 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.24 3hyr h TRP 203 Cb 0.17 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.03 3hyr h TRP 203 CO -0.14 0.28 0.50 -0.07 -2.79 0.00 0.00 178.44 176.21 3hyr h LEU 204 N 0.51 0.83 -1.05 0.65 3.38 -0.36 -1.87 115.31 117.40 3hyr h LEU 204 Ca 0.17 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3hyr h LEU 204 Cb 0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3hyr h LEU 204 CO -0.07 0.58 0.41 1.23 0.09 0.00 0.00 178.44 180.68 3hyr h GLY 205 N 0.98 1.15 1.04 0.83 0.00 -0.84 -2.84 103.07 103.40 3hyr h GLY 205 Ca 0.31 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 3hyr h GLY 205 CO -0.10 0.50 0.05 -2.00 0.00 0.00 0.00 176.54 174.99 3hyr h LEU 206 N 1.08 0.96 -1.73 3.11 5.85 -0.65 -2.01 115.31 121.92 3hyr h LEU 206 Ca 0.27 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hyr h LEU 206 Cb 0.04 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.82 3hyr h LEU 206 CO -0.04 1.00 0.00 0.00 -0.34 0.00 0.00 178.44 179.06 3hyr n GLN 207 N -4.27 0.20 0.00 1.25 1.13 -0.77 -2.28 117.38 112.63 3hyr n GLN 207 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 3hyr n GLN 207 Cb 0.30 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.33 3hyr n GLN 207 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3hyr n LEU 209 N 0.77 0.00 0.04 1.08 4.77 -0.76 -1.37 117.00 121.53 3hyr n LEU 209 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3hyr n LEU 209 Cb 0.09 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.42 3hyr n LEU 209 CO 0.00 0.00 0.45 1.21 -1.33 0.00 0.00 177.39 177.72 3hyr n GLU 210 N 0.00 0.18 0.00 3.23 2.13 -0.97 -4.36 120.64 120.86 3hyr n GLU 210 Ca 0.00 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.88 3hyr n GLU 210 Cb 0.00 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.09 3hyr n GLU 210 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hyr n GLY 211 N 1.40 1.10 3.74 8.31 0.00 -0.74 -4.86 105.19 114.14 3hyr n GLY 211 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3hyr n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hyr s ASP 212 N -1.78 6.78 -0.18 1.61 2.15 -0.47 -4.97 116.67 119.82 3hyr s ASP 212 Ca 0.00 2.54 -0.08 0.00 0.43 0.00 0.00 52.55 55.44 3hyr s ASP 212 Cb 0.00 -2.62 -0.22 0.00 -0.30 0.00 0.00 42.92 39.78 3hyr s ASP 212 CO 0.00 -0.60 0.16 -0.38 -0.17 0.00 0.00 175.17 174.19 3hyr n ILE 213 N 2.30 1.66 -0.15 4.11 5.41 -1.26 -4.35 119.36 127.08 3hyr n ILE 213 Ca 0.06 -0.51 0.18 0.00 1.00 0.00 0.00 62.75 63.48 3hyr n ILE 213 Cb 0.42 -1.74 0.56 0.00 -0.71 0.00 0.00 39.64 38.16 3hyr n ILE 213 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 3hyr h TYR 214 N -0.22 0.36 -0.68 1.39 0.05 -1.98 -2.15 116.97 113.75 3hyr h TYR 214 Ca -0.46 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.29 3hyr h TYR 214 Cb 1.85 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 39.44 3hyr h TYR 214 CO 0.06 0.13 0.26 0.77 -1.05 0.00 0.00 178.16 178.33 3hyr h SER 215 N 0.30 0.92 -0.99 3.88 0.02 -1.95 -2.87 113.55 112.86 3hyr h SER 215 Ca 0.37 -0.14 0.25 0.00 -0.84 0.00 0.00 61.79 61.43 3hyr h SER 215 Cb 0.99 -0.24 -0.08 0.00 0.14 0.00 0.00 62.40 63.21 3hyr h SER 215 CO -0.10 0.83 0.65 0.03 -1.14 0.00 0.00 176.83 177.11 3hyr h ARG 216 N 0.98 0.35 -0.17 3.45 3.08 -1.59 -1.76 114.38 118.73 3hyr h ARG 216 Ca 0.23 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.29 3hyr h ARG 216 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3hyr h ARG 216 CO -0.02 0.23 0.12 0.00 -1.07 0.00 0.00 179.97 179.23 3hyr h ALA 217 N 1.60 2.04 0.00 0.04 0.00 -1.63 -2.24 119.26 119.07 3hyr h ALA 217 Ca 0.54 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 3hyr h ALA 217 Cb 1.43 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 3hyr h ALA 217 CO -0.22 -0.07 -0.98 1.88 0.00 0.00 0.00 179.25 179.86 3hyr h TYR 218 N 0.10 0.00 -0.13 0.00 -1.99 -1.50 -3.39 116.97 110.06 3hyr h TYR 218 Ca 0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3hyr h TYR 218 Cb 0.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.91 3hyr h TYR 218 CO -0.00 0.10 0.00 0.00 -0.00 0.00 0.00 178.16 178.26 3hyr n ALA 219 N -2.21 2.52 -0.43 3.88 0.00 -0.84 -4.60 120.51 118.83 3hyr n ALA 219 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3hyr n ALA 219 Cb 0.60 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3hyr n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hyr n GLY 220 N 0.89 2.59 0.27 0.00 0.00 -1.25 -1.73 105.19 105.95 3hyr n GLY 220 Ca 0.11 0.35 0.03 0.00 0.00 0.00 0.00 46.02 46.51 3hyr n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hyr h GLU 221 N 0.00 0.34 -1.30 1.61 5.08 -1.94 -3.35 114.58 115.01 3hyr h GLU 221 Ca 0.00 -0.05 0.39 0.00 -1.00 0.00 0.00 59.36 58.70 3hyr h GLU 221 Cb 0.00 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.09 3hyr h GLU 221 CO 0.00 0.33 0.87 0.00 -1.00 0.00 0.00 179.01 179.22 3hyr h ALA 222 N 1.71 2.81 0.00 3.43 0.00 -1.40 -2.50 119.26 123.31 3hyr h ALA 222 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hyr h ALA 222 Cb 0.17 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hyr h ALA 222 CO -0.00 -1.32 0.00 0.66 0.00 0.00 0.00 179.25 178.59 3hyr h SER 223 N 0.14 0.00 0.80 0.00 4.64 -1.81 -0.11 113.55 117.21 3hyr h SER 223 Ca 0.73 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.05 3hyr h SER 223 Cb 2.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.47 3hyr h SER 223 CO -0.27 0.00 -0.23 0.00 -0.87 0.00 0.00 176.83 175.46 3hyr n GLN 224 N -2.63 0.02 0.00 4.77 10.64 -0.94 -3.49 117.38 125.76 3hyr n GLN 224 Ca 0.01 0.01 0.11 0.00 -1.83 0.00 0.00 57.00 55.29 3hyr n GLN 224 Cb 0.23 -1.52 -0.05 0.00 -0.86 0.00 0.00 30.24 28.05 3hyr n GLN 224 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3hyr n HIS 225 N -1.55 0.04 -0.03 2.61 8.25 -0.07 -4.61 115.22 119.86 3hyr n HIS 225 Ca 0.06 0.01 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 3hyr n HIS 225 Cb 0.34 -0.15 -0.07 0.00 1.12 0.00 0.00 29.99 31.24 3hyr n HIS 225 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3hyr h LEU 226 N 0.00 0.18 -0.81 2.41 5.85 -1.56 0.24 115.31 121.62 3hyr h LEU 226 Ca 0.00 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.44 3hyr h LEU 226 Cb 0.58 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 3hyr h LEU 226 CO 0.00 0.45 0.52 0.44 -0.34 0.00 0.00 178.44 179.51 3hyr h ASP 227 N -0.09 0.87 -0.18 1.25 5.19 -1.81 0.45 116.42 122.10 3hyr h ASP 227 Ca 0.03 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3hyr h ASP 227 Cb 0.35 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 3hyr h ASP 227 CO 0.01 0.61 0.11 0.00 -3.12 0.00 0.00 179.24 176.85 3hyr h ALA 228 N 1.33 0.22 -0.11 3.45 0.00 -1.80 0.19 119.26 122.55 3hyr h ALA 228 Ca 0.32 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.24 3hyr h ALA 228 Cb -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3hyr h ALA 228 CO -0.10 -0.29 -0.06 0.00 0.00 0.00 0.00 179.25 178.80 3hyr h ALA 229 N 1.05 0.03 -0.75 0.00 0.00 -0.22 -1.46 119.26 117.92 3hyr h ALA 229 Ca 0.06 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hyr h ALA 229 Cb -0.01 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3hyr h ALA 229 CO -0.01 -0.52 0.25 -0.07 0.00 0.00 0.00 179.25 178.90 3hyr h LEU 230 N -0.06 1.08 -1.21 0.00 3.38 0.01 -0.70 115.31 117.80 3hyr h LEU 230 Ca 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3hyr h LEU 230 Cb 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3hyr h LEU 230 CO -0.14 0.99 0.39 0.00 0.09 0.00 0.00 178.44 179.76 3hyr h ALA 231 N 1.13 1.40 0.00 1.53 0.00 -0.44 -2.48 119.26 120.41 3hyr h ALA 231 Ca 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hyr h ALA 231 Cb 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hyr h ALA 231 CO -0.01 0.50 -0.00 -0.09 0.00 0.00 0.00 179.25 179.65 3hyr h ARG 232 N 0.95 -0.00 -0.87 0.00 2.43 -0.85 -3.30 114.38 112.73 3hyr h ARG 232 Ca 0.24 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.48 3hyr h ARG 232 Cb -0.01 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 3hyr h ARG 232 CO -0.04 0.31 0.57 -0.07 -1.51 0.00 0.00 179.97 179.23 3hyr h LEU 233 N -0.32 0.85 -0.48 3.80 3.38 -0.83 -2.65 115.31 119.06 3hyr h LEU 233 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hyr h LEU 233 Cb 0.32 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hyr h LEU 233 CO 0.00 0.54 0.00 0.54 0.09 0.00 0.00 178.44 179.61 3hyr n ARG 234 N -4.49 0.13 0.10 1.13 1.74 -0.96 -0.36 116.66 113.94 3hyr n ARG 234 Ca 0.13 0.37 -0.04 0.00 -0.77 0.00 0.00 57.85 57.55 3hyr n ARG 234 Cb 0.22 -1.75 0.04 0.00 -1.02 0.00 0.00 32.46 29.96 3hyr n ARG 234 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3hyr h ASN 235 N 0.00 0.01 -0.12 0.55 -0.26 -1.61 -3.42 115.58 110.73 3hyr h ASN 235 Ca 0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 3hyr h ASN 235 Cb 0.31 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 3hyr h ASN 235 CO 0.00 0.79 0.00 -0.62 -1.06 0.00 0.00 177.43 176.54 3hyr n GLU 236 N -3.61 2.14 -0.02 0.81 -0.58 0.51 -5.18 120.64 114.70 3hyr n GLU 236 Ca -0.01 -1.67 -0.00 0.00 -0.42 0.00 0.00 57.16 55.06 3hyr n GLU 236 Cb 0.76 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 30.10 3hyr n GLU 236 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hyr n ASP 238 N 0.98 3.21 -3.15 1.62 8.00 -1.26 -5.08 116.55 120.86 3hyr n ASP 238 Ca 0.17 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.55 3hyr n ASP 238 Cb 0.51 1.00 -0.04 0.00 -0.02 0.00 0.00 41.12 42.57 3hyr n ASP 238 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3hyr s ASP 239 N -3.42 -0.07 0.22 -2.24 1.11 -1.26 -5.05 116.67 105.97 3hyr s ASP 239 Ca -0.03 -1.80 -0.07 0.00 0.18 0.00 0.00 52.55 50.82 3hyr s ASP 239 Cb 0.03 1.02 0.35 0.00 1.07 0.00 0.00 42.92 45.39 3hyr s ASP 239 CO 0.31 -0.16 1.75 1.55 1.18 0.00 0.00 175.17 179.80 3hyr h PRO 240 N 6.11 0.45 -0.08 8.23 0.13 -1.93 0.38 132.00 145.29 3hyr h PRO 240 Ca 0.10 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 65.09 3hyr h PRO 240 Cb 1.06 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3hyr h PRO 240 CO 0.16 0.30 -0.44 0.00 -0.23 0.00 0.00 178.00 177.78 3hyr h ALA 241 N 1.46 1.11 0.06 -0.56 0.00 -1.89 -2.31 119.26 117.13 3hyr h ALA 241 Ca 0.35 -0.43 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 3hyr h ALA 241 Cb 0.46 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hyr h ALA 241 CO -0.33 0.60 -1.10 1.25 0.00 0.00 0.00 179.25 179.67 3hyr h LEU 242 N 0.15 0.69 -1.53 0.00 7.12 -1.70 -2.07 115.31 117.97 3hyr h LEU 242 Ca 0.01 -0.61 0.05 0.00 0.13 0.00 0.00 57.88 57.46 3hyr h LEU 242 Cb 0.85 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 40.73 3hyr h LEU 242 CO 0.07 1.42 0.38 0.45 -0.13 0.00 0.00 178.44 180.62 3hyr h HIS 243 N 0.25 0.59 -0.16 1.25 3.86 -0.85 0.47 115.15 120.57 3hyr h HIS 243 Ca -0.13 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.05 3hyr h HIS 243 Cb 1.77 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 30.04 3hyr h HIS 243 CO 0.09 0.33 -0.05 0.82 0.86 0.00 0.00 177.93 179.97 3hyr h ILE 244 N 0.60 1.30 -0.27 2.45 2.04 -1.33 -1.74 117.51 120.57 3hyr h ILE 244 Ca 0.24 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 65.06 3hyr h ILE 244 Cb 0.18 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3hyr h ILE 244 CO -0.07 0.31 0.14 0.00 0.00 0.00 0.00 178.15 178.53 3hyr h ALA 245 N 0.69 0.33 -0.60 1.87 0.00 -0.63 -2.37 119.26 118.55 3hyr h ALA 245 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hyr h ALA 245 Cb 0.51 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3hyr h ALA 245 CO 0.02 -0.25 0.29 -0.44 0.00 0.00 0.00 179.25 178.87 3hyr h ASP 246 N 0.29 0.76 -0.15 0.00 3.32 -0.06 -1.91 116.42 118.67 3hyr h ASP 246 Ca 0.11 -0.07 -0.20 0.00 0.02 0.00 0.00 57.03 56.89 3hyr h ASP 246 Cb 0.02 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.39 3hyr h ASP 246 CO -0.07 0.65 -0.67 0.00 -1.72 0.00 0.00 179.24 177.43 3hyr h ALA 247 N 1.47 0.29 -0.37 3.45 0.00 -1.13 -0.63 119.26 122.35 3hyr h ALA 247 Ca 0.21 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.58 3hyr h ALA 247 Cb 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hyr h ALA 247 CO -0.03 0.59 0.19 0.00 0.00 0.00 0.00 179.25 180.00 3hyr h ARG 248 N 0.43 0.38 -0.08 0.00 3.08 -1.28 -0.93 114.38 115.98 3hyr h ARG 248 Ca -0.04 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3hyr h ARG 248 Cb 1.30 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 3hyr h ARG 248 CO 0.14 0.25 0.03 -0.92 -1.07 0.00 0.00 179.97 178.40 3hyr h TYR 249 N 0.39 0.12 -0.50 3.04 3.20 -1.28 -1.61 116.97 120.32 3hyr h TYR 249 Ca 0.15 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.12 3hyr h TYR 249 Cb 0.05 -0.04 -0.10 0.00 1.54 0.00 0.00 36.73 38.19 3hyr h TYR 249 CO -0.09 0.23 -0.16 0.37 -1.64 0.00 0.00 178.16 176.86 3hyr h GLN 250 N -0.02 -0.04 -0.43 1.82 4.15 -0.95 0.76 115.11 120.39 3hyr h GLN 250 Ca 0.03 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.48 3hyr h GLN 250 Cb 0.16 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 3hyr h GLN 250 CO -0.00 -0.03 0.24 0.00 -1.93 0.00 0.00 178.83 177.11 3hyr h ILE 252 N 0.48 1.34 -0.30 0.00 1.08 -0.58 -2.54 117.51 116.99 3hyr h ILE 252 Ca 0.18 -1.13 -0.04 0.00 -0.39 0.00 0.00 64.86 63.47 3hyr h ILE 252 Cb 0.05 1.89 -0.02 0.00 -3.07 0.00 0.00 36.82 35.67 3hyr h ILE 252 CO -0.10 0.32 0.01 0.00 -0.69 0.00 0.00 178.15 177.69 3hyr h ALA 253 N 0.61 1.47 -0.59 1.87 0.00 -0.87 -0.22 119.26 121.54 3hyr h ALA 253 Ca 0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3hyr h ALA 253 Cb 0.54 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hyr h ALA 253 CO 0.02 0.38 -0.05 0.00 0.00 0.00 0.00 179.25 179.60 3hyr h ALA 254 N 1.58 0.80 -0.23 0.00 0.00 -1.13 -1.54 119.26 118.75 3hyr h ALA 254 Ca 0.10 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hyr h ALA 254 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hyr h ALA 254 CO 0.01 0.67 0.13 0.82 0.00 0.00 0.00 179.25 180.88 3hyr h ILE 255 N 0.96 1.11 -0.02 0.00 2.04 -1.00 -3.14 117.51 117.46 3hyr h ILE 255 Ca 0.16 -0.30 -0.12 0.00 1.00 0.00 0.00 64.86 65.61 3hyr h ILE 255 Cb 0.62 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3hyr h ILE 255 CO 0.04 0.11 -0.53 0.00 0.00 0.00 0.00 178.15 177.77 3hyr h ASP 257 N 0.03 0.81 0.46 0.00 3.32 -1.27 -1.54 116.42 118.23 3hyr h ASP 257 Ca -0.00 -0.09 -0.30 0.00 0.02 0.00 0.00 57.03 56.66 3hyr h ASP 257 Cb 0.96 -0.21 0.02 0.00 0.22 0.00 0.00 39.33 40.32 3hyr h ASP 257 CO 0.07 0.70 -1.32 0.58 -1.72 0.00 0.00 179.24 177.55 3hyr h VAL 258 N 0.88 1.41 0.10 -1.35 2.07 -1.37 -3.39 116.25 114.59 3hyr h VAL 258 Ca 0.21 -2.88 -0.32 0.00 0.82 0.00 0.00 66.70 64.54 3hyr h VAL 258 Cb 0.13 2.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 3hyr h VAL 258 CO -0.02 0.85 -1.70 0.58 0.02 0.00 0.00 177.57 177.30 3hyr h VAL 259 N 0.12 0.94 -0.03 2.57 2.07 -1.10 -3.45 116.25 117.37 3hyr h VAL 259 Ca -0.18 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 64.69 3hyr h VAL 259 Cb 2.03 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 34.42 3hyr h VAL 259 CO 0.23 0.77 0.00 -1.54 0.02 0.00 0.00 177.57 177.05