#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hnn n LYS 5 N 0.00 0.00 -1.98 -1.46 4.76 -1.26 -4.94 118.16 113.28 3hnn n LYS 5 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 3hnn n LYS 5 Cb 0.00 -0.53 0.01 0.00 -1.84 0.00 0.00 35.03 32.67 3hnn n LYS 5 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3hnn s PRO 6 N -1.07 3.50 0.17 1.97 0.04 -1.26 -4.42 135.00 133.94 3hnn s PRO 6 Ca 0.00 0.64 -0.25 0.00 0.04 0.00 0.00 61.00 61.43 3hnn s PRO 6 Cb 0.00 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 3hnn s PRO 6 CO 0.00 -0.57 0.77 1.03 0.04 0.00 0.00 177.00 178.27 3hnn s ARG 7 N -5.14 4.56 0.33 4.56 0.52 -1.26 -4.77 118.95 117.74 3hnn s ARG 7 Ca 0.54 1.15 -0.03 0.00 -0.52 0.00 0.00 55.73 56.87 3hnn s ARG 7 Cb -0.11 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.11 3hnn s ARG 7 CO 0.52 0.57 0.46 0.16 0.02 0.00 0.00 175.30 177.04 3hnn s ASP 8 N -1.16 0.79 -0.12 0.23 1.47 -1.12 -4.99 116.67 111.77 3hnn s ASP 8 Ca 0.36 -1.43 0.03 0.00 1.18 0.00 0.00 52.55 52.70 3hnn s ASP 8 Cb -0.23 0.65 0.00 0.00 -0.34 0.00 0.00 42.92 43.00 3hnn s ASP 8 CO 0.26 -1.27 -0.23 -0.69 0.68 0.00 0.00 175.17 173.92 3hnn s VAL 9 N -3.19 2.05 -0.28 2.11 1.01 -1.26 -0.04 120.40 120.80 3hnn s VAL 9 Ca 0.30 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 3hnn s VAL 9 Cb -0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3hnn s VAL 9 CO 0.19 0.55 0.16 -1.58 0.00 0.00 0.00 175.10 174.42 3hnn s GLN 10 N 0.53 3.76 -0.10 2.72 0.74 0.80 -4.90 119.66 123.21 3hnn s GLN 10 Ca -0.14 -0.44 -0.01 0.00 0.05 0.00 0.00 55.36 54.82 3hnn s GLN 10 Cb -0.17 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.34 3hnn s GLN 10 CO 0.05 -0.23 -0.04 0.08 -0.55 0.00 0.00 175.29 174.59 3hnn s VAL 11 N 1.70 3.90 -0.21 1.34 1.01 -1.26 -0.29 120.40 126.59 3hnn s VAL 11 Ca 0.06 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 3hnn s VAL 11 Cb -0.16 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.64 3hnn s VAL 11 CO 0.08 0.56 0.52 -0.22 0.00 0.00 0.00 175.10 176.05 3hnn s LEU 12 N -0.40 -0.32 0.38 3.92 2.96 -0.96 -5.02 118.68 119.25 3hnn s LEU 12 Ca 0.06 1.11 -0.27 0.00 -0.22 0.00 0.00 54.13 54.81 3hnn s LEU 12 Cb -0.12 1.76 -0.10 0.00 0.50 0.00 0.00 46.19 48.23 3hnn s LEU 12 CO 0.02 -0.20 1.41 -2.84 -1.32 0.00 0.00 176.35 173.42 3hnn s PRO 13 N 1.18 4.07 0.00 0.98 0.02 -1.26 -1.30 135.00 138.69 3hnn s PRO 13 Ca -0.07 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.37 3hnn s PRO 13 Cb -0.06 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.55 3hnn s PRO 13 CO -0.11 -0.50 0.00 0.44 -0.33 0.00 0.00 177.00 176.49 3hnn n ILE 14 N 0.37 0.00 -3.89 2.83 -5.35 -0.52 -4.90 119.36 107.91 3hnn n ILE 14 Ca 0.02 -0.09 -0.04 0.00 -0.27 0.00 0.00 62.75 62.37 3hnn n ILE 14 Cb 0.41 0.54 0.02 0.00 -1.74 0.00 0.00 39.64 38.87 3hnn n ILE 14 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hnn n ALA 15 N -0.58 -2.57 -1.67 -1.28 0.00 -1.20 -5.04 120.51 108.18 3hnn n ALA 15 Ca 0.00 -1.06 -0.51 0.00 0.00 0.00 0.00 53.44 51.87 3hnn n ALA 15 Cb 0.00 0.64 -0.05 0.00 0.00 0.00 0.00 19.45 20.03 3hnn n ALA 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hnn n THR 16 N -0.70 0.24 -1.66 0.00 -1.04 -1.26 -1.83 114.28 108.03 3hnn n THR 16 Ca -0.03 -0.04 -0.19 0.00 -2.04 0.00 0.00 64.05 61.75 3hnn n THR 16 Cb 0.59 -1.41 -0.07 0.00 -1.82 0.00 0.00 70.33 67.62 3hnn n THR 16 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3hnn n ASN 17 N 4.64 -5.00 -3.92 8.00 5.03 -1.26 -4.91 115.26 117.83 3hnn n ASN 17 Ca 0.21 0.41 -0.21 0.00 0.87 0.00 0.00 54.58 55.86 3hnn n ASN 17 Cb 0.23 -4.43 -0.16 0.00 -1.02 0.00 0.00 39.78 34.40 3hnn n ASN 17 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3hnn s THR 18 N -2.64 0.64 0.08 3.41 2.01 -0.76 -0.31 115.64 118.07 3hnn s THR 18 Ca 0.00 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 61.86 3hnn s THR 18 Cb 0.00 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 3hnn s THR 18 CO 0.00 0.24 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.48 3hnn s LYS 19 N 0.81 0.87 -0.03 4.92 1.02 -0.50 -1.44 119.74 125.39 3hnn s LYS 19 Ca -0.12 -1.00 -0.01 0.00 0.02 0.00 0.00 55.97 54.87 3hnn s LYS 19 Cb -0.14 -0.91 -0.04 0.00 -0.52 0.00 0.00 37.83 36.22 3hnn s LYS 19 CO 0.01 0.20 0.05 0.54 -0.92 0.00 0.00 175.35 175.24 3hnn s VAL 20 N -1.29 4.59 -0.27 3.17 0.11 -0.42 -0.94 120.40 125.35 3hnn s VAL 20 Ca -0.00 -0.37 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 3hnn s VAL 20 Cb -0.10 -3.05 0.05 0.00 -1.53 0.00 0.00 36.38 31.75 3hnn s VAL 20 CO 0.03 0.43 -0.07 -0.76 -3.33 0.00 0.00 175.10 171.39 3hnn s LEU 21 N -1.48 3.47 -0.39 2.54 1.02 0.16 -2.26 118.68 121.74 3hnn s LEU 21 Ca 0.20 -1.23 -0.13 0.00 0.02 0.00 0.00 54.13 52.99 3hnn s LEU 21 Cb -0.12 -1.62 0.02 0.00 0.02 0.00 0.00 46.19 44.50 3hnn s LEU 21 CO 0.10 -0.19 0.26 -0.13 0.02 0.00 0.00 176.35 176.41 3hnn s ARG 22 N 1.20 2.94 -0.22 1.70 0.52 0.61 -0.38 118.95 125.32 3hnn s ARG 22 Ca -0.05 -1.03 -0.27 0.00 -0.52 0.00 0.00 55.73 53.85 3hnn s ARG 22 Cb -0.19 -3.88 0.00 0.00 0.52 0.00 0.00 34.95 31.40 3hnn s ARG 22 CO -0.04 -0.72 0.96 0.00 0.02 0.00 0.00 175.30 175.52 3hnn s ALA 23 N 1.63 3.64 -0.07 2.13 0.00 -0.60 -0.14 121.76 128.36 3hnn s ALA 23 Ca 0.04 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.11 3hnn s ALA 23 Cb -0.19 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 3hnn s ALA 23 CO 0.09 -0.95 -0.12 1.03 0.00 0.00 0.00 175.76 175.81 3hnn s ARG 24 N 2.93 2.74 -0.07 0.00 0.52 0.94 -1.86 118.95 124.16 3hnn s ARG 24 Ca 0.41 -0.65 0.03 0.00 -0.52 0.00 0.00 55.73 55.00 3hnn s ARG 24 Cb -0.15 -2.49 0.01 0.00 0.52 0.00 0.00 34.95 32.83 3hnn s ARG 24 CO 0.08 0.56 -0.14 0.45 0.02 0.00 0.00 175.30 176.27 3hnn s SER 25 N -0.55 1.93 0.00 0.23 0.15 -0.67 -2.77 113.70 112.01 3hnn s SER 25 Ca 0.08 -0.33 0.26 0.00 0.70 0.00 0.00 55.95 56.66 3hnn s SER 25 Cb -0.12 -0.86 0.63 0.00 -1.71 0.00 0.00 66.02 63.97 3hnn s SER 25 CO 0.02 0.06 1.49 0.79 1.20 0.00 0.00 173.24 176.79 3hnn n TRP 26 N 3.71 0.00 0.00 3.44 7.02 -1.26 -2.03 117.44 128.32 3hnn n TRP 26 Ca -0.22 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.26 3hnn n TRP 26 Cb 0.52 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 29.22 3hnn n TRP 26 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3hnn n SER 27 N -1.13 0.00 0.00 -0.99 3.41 -1.26 -4.08 113.62 109.57 3hnn n SER 27 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3hnn n SER 27 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3hnn n SER 27 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3hnn n ARG 28 N 0.00 0.00 -0.02 4.33 0.00 -1.26 -1.16 116.66 118.55 3hnn n ARG 28 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.65 3hnn n ARG 28 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 32.46 32.32 3hnn n ARG 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3hnn n LEU 29 N 0.00 2.56 -4.21 2.89 4.32 -1.26 -5.00 117.00 116.30 3hnn n LEU 29 Ca 0.00 0.17 -0.12 0.00 -0.02 0.00 0.00 56.01 56.03 3hnn n LEU 29 Cb 0.00 -1.00 -0.10 0.00 -1.62 0.00 0.00 43.42 40.70 3hnn n LEU 29 CO 0.00 0.84 -0.27 -0.13 -1.22 0.00 0.00 177.39 176.61 3hnn s ARG 30 N -2.55 1.14 -0.40 3.23 1.81 -1.26 -5.04 118.95 115.88 3hnn s ARG 30 Ca -0.23 -1.59 -0.05 0.00 -1.72 0.00 0.00 55.73 52.15 3hnn s ARG 30 Cb 0.07 0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.65 3hnn s ARG 30 CO 0.75 -0.31 3.00 1.19 -0.68 0.00 0.00 175.30 179.25 3hnn n PHE 31 N -0.25 1.22 -3.62 -0.53 3.72 -1.26 -4.79 117.46 111.95 3hnn n PHE 31 Ca -0.01 -1.89 -0.20 0.00 -0.05 0.00 0.00 57.45 55.29 3hnn n PHE 31 Cb 0.65 -1.49 -0.03 0.00 -0.94 0.00 0.00 39.48 37.67 3hnn n PHE 31 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3hnn s GLU 32 N -0.84 2.70 0.30 -1.08 0.41 -1.26 -5.04 118.70 113.88 3hnn s GLU 32 Ca 0.61 -1.35 0.01 0.00 -0.41 0.00 0.00 54.97 53.83 3hnn s GLU 32 Cb 0.35 -2.50 0.46 0.00 -1.78 0.00 0.00 34.13 30.67 3hnn s GLU 32 CO -0.15 -0.04 1.83 -0.84 -0.49 0.00 0.00 175.26 175.57 3hnn h ILE 33 N 1.08 1.22 -0.99 -1.63 3.07 -2.00 -2.90 117.51 115.35 3hnn h ILE 33 Ca -0.43 -0.83 0.19 0.00 1.55 0.00 0.00 64.86 65.34 3hnn h ILE 33 Cb 1.26 0.81 -0.11 0.00 -0.27 0.00 0.00 36.82 38.51 3hnn h ILE 33 CO 0.56 0.30 0.59 -0.33 -1.05 0.00 0.00 178.15 178.22 3hnn h GLU 34 N 0.68 0.71 -0.31 0.16 3.07 -1.96 -2.38 114.58 114.55 3hnn h GLU 34 Ca 0.15 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3hnn h GLU 34 Cb 0.33 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3hnn h GLU 34 CO 0.01 0.47 0.00 0.66 -1.40 0.00 0.00 179.01 178.74 3hnn n TYR 35 N -4.79 0.39 0.65 4.33 4.01 -1.10 -4.53 117.16 116.11 3hnn n TYR 35 Ca 0.23 -0.19 0.06 0.00 -0.16 0.00 0.00 57.90 57.84 3hnn n TYR 35 Cb 0.58 0.00 0.33 0.00 -0.31 0.00 0.00 39.34 39.94 3hnn n TYR 35 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hnn n ALA 36 N 1.31 1.81 1.29 -0.72 0.00 -0.90 -1.90 120.51 121.39 3hnn n ALA 36 Ca 0.18 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.69 3hnn n ALA 36 Cb 0.57 -1.20 0.51 0.00 0.00 0.00 0.00 19.45 19.33 3hnn n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hnn n LEU 37 N -1.20 0.58 -3.16 0.00 4.77 -1.26 -4.96 117.00 111.77 3hnn n LEU 37 Ca 0.07 -0.03 -0.18 0.00 -0.03 0.00 0.00 56.01 55.84 3hnn n LEU 37 Cb 0.08 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.05 3hnn n LEU 37 CO 0.09 0.11 0.17 -0.62 -1.33 0.00 0.00 177.39 175.81 3hnn n GLU 38 N -0.98 -6.49 -0.09 3.23 -0.58 -0.80 -4.92 120.64 110.02 3hnn n GLU 38 Ca 0.12 0.73 0.04 0.00 -0.42 0.00 0.00 57.16 57.63 3hnn n GLU 38 Cb 0.31 -5.43 0.06 0.00 -0.57 0.00 0.00 31.44 25.80 3hnn n GLU 38 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hnn n ARG 39 N -4.15 1.63 0.00 3.49 1.74 -1.26 -5.00 116.66 113.11 3hnn n ARG 39 Ca -0.09 -1.75 0.00 0.00 -0.77 0.00 0.00 57.85 55.24 3hnn n ARG 39 Cb 0.59 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 3hnn n ARG 39 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hnn n GLY 40 N -0.75 0.27 3.85 -0.13 0.00 -0.31 -0.58 105.19 107.54 3hnn n GLY 40 Ca 0.06 -0.94 -0.07 0.00 0.00 0.00 0.00 46.02 45.07 3hnn n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hnn s THR 41 N 0.00 0.00 0.04 2.61 -1.32 -0.86 -2.67 115.64 113.43 3hnn s THR 41 Ca 0.00 -0.98 0.03 0.00 -1.21 0.00 0.00 61.69 59.52 3hnn s THR 41 Cb 0.00 -2.07 -0.02 0.00 -1.51 0.00 0.00 72.50 68.90 3hnn s THR 41 CO 0.00 0.00 -0.08 0.42 -2.21 0.00 0.00 174.62 172.75 3hnn s THR 42 N -3.77 0.62 -0.27 5.08 -4.23 -1.26 -1.67 115.64 110.14 3hnn s THR 42 Ca 0.11 -0.94 -0.06 0.00 -1.18 0.00 0.00 61.69 59.63 3hnn s THR 42 Cb -0.06 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.15 3hnn s THR 42 CO 0.07 -0.25 0.04 -0.44 -0.54 0.00 0.00 174.62 173.50 3hnn s SER 43 N -1.30 4.87 -0.18 3.99 0.01 -0.78 -3.20 113.70 117.12 3hnn s SER 43 Ca -0.06 -0.58 -0.14 0.00 1.31 0.00 0.00 55.95 56.48 3hnn s SER 43 Cb -0.08 -1.83 -0.05 0.00 0.21 0.00 0.00 66.02 64.27 3hnn s SER 43 CO 0.01 -0.12 0.29 0.20 0.41 0.00 0.00 173.24 174.02 3hnn s ASN 44 N 1.49 6.39 0.24 2.44 0.01 0.97 -1.55 114.94 124.93 3hnn s ASN 44 Ca 0.04 0.46 0.12 0.00 -0.71 0.00 0.00 52.86 52.76 3hnn s ASN 44 Cb -0.16 -2.18 -0.05 0.00 0.41 0.00 0.00 41.25 39.27 3hnn s ASN 44 CO 0.01 0.07 -0.20 -0.55 -1.51 0.00 0.00 177.10 174.91 3hnn s SER 45 N 0.61 3.59 0.09 -1.22 0.15 0.49 -4.71 113.70 112.71 3hnn s SER 45 Ca 0.16 -0.93 0.05 0.00 0.70 0.00 0.00 55.95 55.92 3hnn s SER 45 Cb -0.13 -0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 63.82 3hnn s SER 45 CO 0.04 0.08 -0.12 -0.31 1.20 0.00 0.00 173.24 174.13 3hnn s TYR 46 N -2.12 1.17 -0.09 3.44 1.51 -0.53 0.38 117.35 121.12 3hnn s TYR 46 Ca 0.26 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 3hnn s TYR 46 Cb -0.06 -0.64 0.02 0.00 -0.11 0.00 0.00 41.96 41.17 3hnn s TYR 46 CO 0.13 0.05 -0.09 0.08 -1.11 0.00 0.00 175.55 174.61 3hnn s VAL 47 N -2.02 1.02 -0.15 0.71 1.01 -0.12 -0.27 120.40 120.57 3hnn s VAL 47 Ca 0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 3hnn s VAL 47 Cb -0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 3hnn s VAL 47 CO 0.01 0.35 -0.13 -0.63 0.00 0.00 0.00 175.10 174.70 3hnn s ILE 48 N 1.32 2.87 -0.62 2.22 1.01 -0.10 -1.41 121.20 126.48 3hnn s ILE 48 Ca -0.02 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.95 3hnn s ILE 48 Cb -0.14 -2.22 0.15 0.00 0.01 0.00 0.00 42.46 40.27 3hnn s ILE 48 CO -0.04 0.51 0.40 -1.61 0.00 0.00 0.00 174.94 174.20 3hnn s GLU 49 N 0.72 2.32 0.00 2.79 2.02 0.57 -1.66 118.70 125.46 3hnn s GLU 49 Ca -0.06 -2.87 0.00 0.00 0.02 0.00 0.00 54.97 52.06 3hnn s GLU 49 Cb -0.15 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.61 3hnn s GLU 49 CO 0.02 -1.18 0.00 0.41 0.02 0.00 0.00 175.26 174.52 3hnn n GLY 50 N 2.78 1.42 0.25 -1.39 0.00 -1.26 -4.79 105.19 102.19 3hnn n GLY 50 Ca 0.11 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.53 3hnn n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hnn h ASP 51 N 0.00 0.20 -2.24 1.61 3.32 0.10 -3.43 116.42 115.99 3hnn h ASP 51 Ca 0.00 -0.03 -0.54 0.00 0.02 0.00 0.00 57.03 56.47 3hnn h ASP 51 Cb 0.00 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.42 3hnn h ASP 51 CO 0.00 0.32 -0.61 -0.54 -1.72 0.00 0.00 179.24 176.70 3hnn s LYS 52 N -4.81 2.51 -0.12 3.56 1.02 0.47 -5.01 119.74 117.36 3hnn s LYS 52 Ca -0.05 -1.28 0.02 0.00 0.02 0.00 0.00 55.97 54.68 3hnn s LYS 52 Cb 0.16 -2.31 0.01 0.00 -0.52 0.00 0.00 37.83 35.17 3hnn s LYS 52 CO 0.72 0.38 -0.19 0.99 -0.92 0.00 0.00 175.35 176.34 3hnn s THR 53 N -2.23 1.78 -0.01 2.17 2.01 -1.26 -4.50 115.64 113.59 3hnn s THR 53 Ca 0.32 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.57 3hnn s THR 53 Cb -0.07 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 3hnn s THR 53 CO 0.22 0.50 -0.20 0.00 -0.69 0.00 0.00 174.62 174.44 3hnn s ALA 54 N 0.89 2.46 0.22 7.40 0.00 -0.66 -1.12 121.76 130.95 3hnn s ALA 54 Ca -0.07 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 50.86 3hnn s ALA 54 Cb -0.15 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 3hnn s ALA 54 CO -0.01 0.55 0.18 0.96 0.00 0.00 0.00 175.76 177.43 3hnn s ILE 55 N -0.74 4.45 -0.09 0.00 -4.36 -0.40 -0.93 121.20 119.14 3hnn s ILE 55 Ca 0.12 -1.30 -0.00 0.00 -0.26 0.00 0.00 60.65 59.20 3hnn s ILE 55 Cb -0.10 -3.36 0.02 0.00 1.25 0.00 0.00 42.46 40.27 3hnn s ILE 55 CO 0.01 -0.27 -0.06 -0.63 0.24 0.00 0.00 174.94 174.23 3hnn s ILE 56 N -2.01 0.80 -0.75 8.37 1.01 0.63 -0.25 121.20 129.00 3hnn s ILE 56 Ca 0.32 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 3hnn s ILE 56 Cb -0.09 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 3hnn s ILE 56 CO 0.24 0.32 0.68 0.47 0.00 0.00 0.00 174.94 176.65 3hnn n ASP 57 N 4.77 -6.35 -4.72 3.58 8.00 -0.62 -1.45 116.55 119.77 3hnn n ASP 57 Ca -0.14 -0.34 -0.42 0.00 0.71 0.00 0.00 54.79 54.61 3hnn n ASP 57 Cb 0.50 -4.52 -0.00 0.00 -0.02 0.00 0.00 41.12 37.08 3hnn n ASP 57 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3hnn n PRO 58 N -2.32 2.25 -0.58 -0.24 -0.02 -1.26 -4.35 135.00 128.49 3hnn n PRO 58 Ca -0.03 0.79 -0.12 0.00 -2.02 0.00 0.00 63.50 62.12 3hnn n PRO 58 Cb 0.55 -2.42 0.10 0.00 -0.02 0.00 0.00 33.50 31.71 3hnn n PRO 58 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hnn n PRO 59 N 0.50 -1.34 -2.60 0.52 -0.04 -1.26 -5.00 135.00 125.78 3hnn n PRO 59 Ca 0.04 -0.78 -0.26 0.00 -0.04 0.00 0.00 63.50 62.46 3hnn n PRO 59 Cb 0.37 -0.63 0.02 0.00 -0.04 0.00 0.00 33.50 33.21 3hnn n PRO 59 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hnn s VAL 60 N -1.98 4.04 0.38 0.52 -7.23 -1.26 -4.68 120.40 110.19 3hnn s VAL 60 Ca 0.30 -0.07 0.18 0.00 -1.81 0.00 0.00 61.98 60.58 3hnn s VAL 60 Cb -0.02 -3.56 0.38 0.00 0.56 0.00 0.00 36.38 33.74 3hnn s VAL 60 CO 0.22 -0.53 1.73 1.05 -0.31 0.00 0.00 175.10 177.27 3hnn h GLU 61 N 0.06 0.36 0.00 4.82 4.11 -1.87 -0.34 114.58 121.72 3hnn h GLU 61 Ca -0.46 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 58.95 3hnn h GLU 61 Cb 1.24 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3hnn h GLU 61 CO 0.60 0.24 -0.02 0.66 0.07 0.00 0.00 179.01 180.56 3hnn h SER 62 N 0.37 0.00 -2.40 3.06 4.64 -1.94 -3.38 113.55 113.90 3hnn h SER 62 Ca 0.65 0.00 -0.79 0.00 -0.47 0.00 0.00 61.79 61.18 3hnn h SER 62 Cb 1.64 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.44 3hnn h SER 62 CO -0.38 0.02 0.83 0.49 -0.87 0.00 0.00 176.83 176.91 3hnn n PHE 63 N -3.84 2.76 0.00 4.77 3.72 -0.14 -4.94 117.46 119.78 3hnn n PHE 63 Ca -0.03 -2.70 0.00 0.00 -0.05 0.00 0.00 57.45 54.67 3hnn n PHE 63 Cb 0.10 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.49 3hnn n PHE 63 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3hnn n LYS 65 N 0.25 0.00 0.15 -1.08 3.00 -1.26 -1.71 118.16 117.50 3hnn n LYS 65 Ca 0.41 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.88 3hnn n LYS 65 Cb 0.29 0.00 0.76 0.00 0.00 0.00 0.00 35.03 36.07 3hnn n LYS 65 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.40 176.56 3hnn h ILE 66 N 0.00 0.63 0.08 3.15 3.07 -1.95 -2.73 117.51 119.77 3hnn h ILE 66 Ca 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.41 3hnn h ILE 66 Cb 0.00 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 37.38 3hnn h ILE 66 CO 0.00 0.00 -0.04 0.22 -1.05 0.00 0.00 178.15 177.28 3hnn h TYR 67 N 0.00 -0.10 0.00 0.16 3.20 -1.73 -2.71 116.97 115.79 3hnn h TYR 67 Ca 0.12 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 3hnn h TYR 67 Cb 0.57 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 3hnn h TYR 67 CO 0.00 0.35 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.69 3hnn h LEU 68 N -0.61 0.00 0.07 2.82 3.38 -1.77 -0.15 115.31 119.06 3hnn h LEU 68 Ca -0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 3hnn h LEU 68 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 3hnn h LEU 68 CO 0.02 0.11 -1.19 -0.33 0.09 0.00 0.00 178.44 177.13 3hnn h GLU 69 N 0.00 0.32 -0.33 1.13 5.08 -1.59 -2.67 114.58 116.51 3hnn h GLU 69 Ca -0.00 -0.49 -0.11 0.00 -1.00 0.00 0.00 59.36 57.76 3hnn h GLU 69 Cb 0.40 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3hnn h GLU 69 CO 0.01 1.21 -0.21 0.00 -1.00 0.00 0.00 179.01 179.03 3hnn h ALA 70 N 0.59 0.47 -0.81 3.43 0.00 -1.07 -2.93 119.26 118.94 3hnn h ALA 70 Ca -0.13 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.43 3hnn h ALA 70 Cb 1.90 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 3hnn h ALA 70 CO 0.20 0.43 0.53 1.25 0.00 0.00 0.00 179.25 181.66 3hnn h LEU 71 N 0.50 0.91 -0.78 0.00 5.85 -1.10 -2.15 115.31 118.54 3hnn h LEU 71 Ca 0.07 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.88 3hnn h LEU 71 Cb 0.76 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 3hnn h LEU 71 CO 0.06 0.65 0.41 1.56 -0.34 0.00 0.00 178.44 180.77 3hnn h GLN 72 N 1.07 0.64 0.00 1.25 4.20 -1.45 0.02 115.11 120.85 3hnn h GLN 72 Ca 0.30 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 3hnn h GLN 72 Cb -0.09 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.54 3hnn h GLN 72 CO -0.08 0.42 -0.13 1.96 -0.67 0.00 0.00 178.83 180.33 3hnn h GLN 73 N 0.66 0.00 0.00 1.46 4.20 -1.20 -3.25 115.11 116.98 3hnn h GLN 73 Ca 0.39 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.97 3hnn h GLN 73 Cb 0.43 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 3hnn h GLN 73 CO -0.29 0.13 -1.96 -2.37 -0.67 0.00 0.00 178.83 173.68 3hnn n THR 74 N -3.59 0.49 -3.70 -0.54 5.66 -0.55 -5.01 114.28 107.03 3hnn n THR 74 Ca -0.01 -0.54 -0.14 0.00 -3.05 0.00 0.00 64.05 60.31 3hnn n THR 74 Cb 0.27 -0.19 -0.09 0.00 -1.55 0.00 0.00 70.33 68.77 3hnn n THR 74 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3hnn s VAL 75 N -2.88 0.02 -0.29 1.08 0.11 -0.12 -5.12 120.40 113.20 3hnn s VAL 75 Ca -0.07 -0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.55 3hnn s VAL 75 Cb 0.09 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.23 3hnn s VAL 75 CO 0.72 -0.08 1.56 0.21 -3.33 0.00 0.00 175.10 174.18 3hnn s ASN 76 N -0.44 6.32 0.26 3.54 2.47 -1.26 -4.09 114.94 121.72 3hnn s ASN 76 Ca -0.06 1.33 -0.02 0.00 0.42 0.00 0.00 52.86 54.53 3hnn s ASN 76 Cb -0.03 -2.53 0.50 0.00 -1.45 0.00 0.00 41.25 37.73 3hnn s ASN 76 CO 0.03 -1.36 1.76 -0.07 -3.72 0.00 0.00 177.10 173.75 3hnn h LEU 77 N 12.07 0.50 -0.82 3.21 3.38 -1.90 0.11 115.31 131.87 3hnn h LEU 77 Ca -0.31 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hnn h LEU 77 Cb 1.14 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3hnn h LEU 77 CO 1.03 0.22 0.00 0.29 0.09 0.00 0.00 178.44 180.07 3hnn n LYS 78 N -4.88 0.12 -0.27 1.13 4.76 -1.26 -1.01 118.16 116.75 3hnn n LYS 78 Ca 0.16 0.51 0.12 0.00 -2.87 0.00 0.00 58.31 56.22 3hnn n LYS 78 Cb 0.41 -1.81 0.27 0.00 -1.84 0.00 0.00 35.03 32.06 3hnn n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3hnn n LYS 79 N -2.05 2.58 -2.35 1.97 5.02 0.38 -4.94 118.16 118.77 3hnn n LYS 79 Ca 0.00 -2.42 -0.43 0.00 -2.02 0.00 0.00 58.31 53.45 3hnn n LYS 79 Cb 0.11 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 3hnn n LYS 79 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hnn s LEU 80 N -1.26 4.24 0.00 -0.35 1.43 -0.18 -4.60 118.68 117.95 3hnn s LEU 80 Ca 0.43 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 3hnn s LEU 80 Cb 0.24 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.91 3hnn s LEU 80 CO 0.32 -0.74 0.00 0.47 0.23 0.00 0.00 176.35 176.64 3hnn n ASP 81 N 6.18 0.00 -4.79 2.29 8.00 -0.27 -4.21 116.55 123.74 3hnn n ASP 81 Ca 0.14 0.17 -0.31 0.00 0.71 0.00 0.00 54.79 55.50 3hnn n ASP 81 Cb 0.45 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.27 3hnn n ASP 81 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hnn s TYR 82 N -0.42 3.24 -0.36 1.24 2.02 -0.72 -0.40 117.35 121.96 3hnn s TYR 82 Ca 0.00 0.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.83 3hnn s TYR 82 Cb 0.00 -1.65 0.11 0.00 -0.40 0.00 0.00 41.96 40.01 3hnn s TYR 82 CO 0.00 0.53 0.11 0.08 -1.57 0.00 0.00 175.55 174.71 3hnn s VAL 83 N -1.38 1.64 -0.02 0.71 1.01 0.13 -1.27 120.40 121.23 3hnn s VAL 83 Ca 0.29 -2.10 -0.23 0.00 0.00 0.00 0.00 61.98 59.95 3hnn s VAL 83 Cb -0.12 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 3hnn s VAL 83 CO 0.22 -0.69 0.68 -0.63 0.00 0.00 0.00 175.10 174.68 3hnn s ILE 84 N 1.00 4.93 -0.10 2.22 1.01 0.66 -2.54 121.20 128.37 3hnn s ILE 84 Ca 0.12 1.42 0.01 0.00 0.00 0.00 0.00 60.65 62.20 3hnn s ILE 84 Cb -0.20 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 3hnn s ILE 84 CO -0.13 0.33 -0.14 -0.76 0.00 0.00 0.00 174.94 174.24 3hnn s LEU 85 N 0.28 2.68 0.06 2.97 1.43 -0.65 -1.58 118.68 123.87 3hnn s LEU 85 Ca 0.35 -0.30 0.17 0.00 -1.03 0.00 0.00 54.13 53.32 3hnn s LEU 85 Cb -0.18 -1.58 -0.14 0.00 0.03 0.00 0.00 46.19 44.32 3hnn s LEU 85 CO 0.19 0.23 0.82 0.61 0.23 0.00 0.00 176.35 178.42 3hnn n GLY 86 N 3.12 -1.19 1.43 -3.19 0.00 -1.26 -4.68 105.19 99.41 3hnn n GLY 86 Ca -0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 3hnn n GLY 86 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hnn n HIS 87 N -2.89 -1.12 -5.24 1.61 -0.00 -1.26 -0.45 115.22 105.88 3hnn n HIS 87 Ca -0.10 -0.88 -0.31 0.00 -0.00 0.00 0.00 57.72 56.43 3hnn n HIS 87 Cb 0.84 0.28 -0.16 0.00 -0.00 0.00 0.00 29.99 30.95 3hnn n HIS 87 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 3hnn s PHE 88 N -4.96 2.34 -0.01 -1.40 5.36 -1.26 -4.97 117.98 113.07 3hnn s PHE 88 Ca 0.10 -0.63 -0.02 0.00 -0.96 0.00 0.00 56.93 55.42 3hnn s PHE 88 Cb -0.01 -1.53 0.00 0.00 -0.34 0.00 0.00 43.02 41.14 3hnn s PHE 88 CO 0.07 -0.16 0.04 -1.12 -1.46 0.00 0.00 175.22 172.59 3hnn s SER 89 N -0.27 0.00 0.01 6.13 0.01 -1.26 -5.00 113.70 113.32 3hnn s SER 89 Ca 0.00 -0.02 -0.25 0.00 1.31 0.00 0.00 55.95 56.98 3hnn s SER 89 Cb -0.12 0.11 -0.19 0.00 0.21 0.00 0.00 66.02 66.02 3hnn s SER 89 CO 0.02 -0.09 1.37 1.55 0.41 0.00 0.00 173.24 176.50 3hnn h PRO 90 N 5.71 -0.03 0.00 12.44 0.13 -2.02 -3.23 132.00 145.01 3hnn h PRO 90 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3hnn h PRO 90 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hnn h PRO 90 CO 0.46 0.33 0.00 0.27 -0.23 0.00 0.00 178.00 178.84 3hnn n ASN 91 N -4.93 0.00 0.04 1.44 2.04 -1.26 -1.29 115.26 111.31 3hnn n ASN 91 Ca -0.08 -0.04 0.11 0.00 -0.44 0.00 0.00 54.58 54.13 3hnn n ASN 91 Cb 0.20 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.37 3hnn n ASN 91 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3hnn n ARG 92 N -0.89 0.58 -0.34 -3.83 1.74 -1.22 -3.72 116.66 108.99 3hnn n ARG 92 Ca 0.01 -0.04 0.19 0.00 -0.77 0.00 0.00 57.85 57.23 3hnn n ARG 92 Cb 0.00 -1.65 0.40 0.00 -1.02 0.00 0.00 32.46 30.19 3hnn n ARG 92 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3hnn h ILE 93 N 0.00 0.50 -0.30 0.55 2.04 -1.38 0.11 117.51 119.04 3hnn h ILE 93 Ca 0.00 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3hnn h ILE 93 Cb 0.96 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3hnn h ILE 93 CO 0.00 0.10 0.17 -0.65 0.00 0.00 0.00 178.15 177.77 3hnn h PRO 94 N 0.54 0.40 0.03 2.37 0.11 -1.83 0.37 132.00 133.99 3hnn h PRO 94 Ca 0.66 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 66.49 3hnn h PRO 94 Cb 1.30 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.34 3hnn h PRO 94 CO -0.49 0.29 -1.04 1.15 -0.21 0.00 0.00 178.00 177.70 3hnn h THR 95 N 0.41 1.36 -0.42 -1.15 2.02 -1.10 -2.87 112.91 111.16 3hnn h THR 95 Ca 0.11 -2.46 -0.07 0.00 0.77 0.00 0.00 66.41 64.76 3hnn h THR 95 Cb 0.00 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 3hnn h THR 95 CO -0.02 0.74 -0.02 -0.26 0.37 0.00 0.00 175.52 176.33 3hnn h PHE 96 N 0.26 0.74 0.01 3.16 -1.00 -0.84 -2.69 116.94 116.58 3hnn h PHE 96 Ca -0.11 -0.10 -0.00 0.00 2.81 0.00 0.00 57.97 60.57 3hnn h PHE 96 Cb 1.69 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 41.05 3hnn h PHE 96 CO 0.08 0.71 -0.00 -0.22 -1.61 0.00 0.00 178.31 177.26 3hnn h LYS 97 N 0.65 -0.01 -0.97 1.51 3.11 -0.31 -3.03 116.57 117.52 3hnn h LYS 97 Ca 0.13 0.00 0.21 0.00 -2.81 0.00 0.00 60.65 58.18 3hnn h LYS 97 Cb 0.44 0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 31.58 3hnn h LYS 97 CO 0.02 0.59 0.62 0.00 -2.81 0.00 0.00 179.45 177.87 3hnn h ALA 98 N 0.36 2.01 -0.38 5.00 0.00 -1.49 -1.46 119.26 123.30 3hnn h ALA 98 Ca -0.00 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3hnn h ALA 98 Cb 0.60 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hnn h ALA 98 CO 0.00 -0.35 -0.31 -0.07 0.00 0.00 0.00 179.25 178.53 3hnn h LEU 99 N 0.55 0.86 -0.93 0.00 3.38 -1.45 -3.20 115.31 114.51 3hnn h LEU 99 Ca 0.54 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 3hnn h LEU 99 Cb 1.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3hnn h LEU 99 CO -0.28 1.10 -0.48 -0.07 0.09 0.00 0.00 178.44 178.80 3hnn h LEU 100 N 0.69 0.13 0.24 1.67 3.38 -1.14 0.30 115.31 120.57 3hnn h LEU 100 Ca 0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hnn h LEU 100 Cb 0.85 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3hnn h LEU 100 CO 0.07 0.59 -0.28 -0.33 0.09 0.00 0.00 178.44 178.59 3hnn h GLU 101 N 0.10 -0.50 0.00 1.13 4.39 -1.55 -2.96 114.58 115.18 3hnn h GLU 101 Ca 0.00 0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 3hnn h GLU 101 Cb 0.89 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 3hnn h GLU 101 CO 0.07 -0.34 -0.35 -0.07 -1.16 0.00 0.00 179.01 177.16 3hnn h LEU 102 N -0.52 0.00 -6.53 1.33 3.38 -1.50 -3.36 115.31 108.10 3hnn h LEU 102 Ca -0.03 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.35 3hnn h LEU 102 Cb 0.46 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.83 3hnn h LEU 102 CO -0.06 0.35 -0.89 0.00 0.09 0.00 0.00 178.44 177.94 3hnn s ALA 103 N -3.79 1.68 0.34 1.53 0.00 0.10 -4.25 121.76 117.38 3hnn s ALA 103 Ca -0.01 -2.55 0.06 0.00 0.00 0.00 0.00 51.96 49.46 3hnn s ALA 103 Cb 0.12 -1.69 0.63 0.00 0.00 0.00 0.00 23.12 22.19 3hnn s ALA 103 CO 0.68 -2.02 1.87 -1.35 0.00 0.00 0.00 175.76 174.95 3hnn h PRO 104 N 5.90 0.43 0.00 0.00 0.11 -1.68 -3.19 132.00 133.57 3hnn h PRO 104 Ca 0.20 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3hnn h PRO 104 Cb 0.90 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3hnn h PRO 104 CO 0.41 0.52 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 3hnn n GLN 105 N -4.26 0.43 -2.15 1.05 0.00 -1.26 -4.87 117.38 106.33 3hnn n GLN 105 Ca 0.01 0.05 -0.42 0.00 0.00 0.00 0.00 57.00 56.64 3hnn n GLN 105 Cb 0.27 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.98 3hnn n GLN 105 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 3hnn s ILE 106 N -2.26 3.14 0.12 -0.39 -4.36 -1.21 -4.88 121.20 111.36 3hnn s ILE 106 Ca 0.23 0.87 -0.15 0.00 -0.26 0.00 0.00 60.65 61.34 3hnn s ILE 106 Cb 0.12 -3.56 -0.07 0.00 1.25 0.00 0.00 42.46 40.21 3hnn s ILE 106 CO 0.24 0.10 0.53 -0.89 0.24 0.00 0.00 174.94 175.16 3hnn s THR 107 N 0.66 4.87 -0.02 8.37 2.01 0.46 -4.39 115.64 127.60 3hnn s THR 107 Ca 0.62 0.87 -0.12 0.00 0.31 0.00 0.00 61.69 63.37 3hnn s THR 107 Cb -0.38 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 3hnn s THR 107 CO 0.34 0.33 0.34 -0.36 -0.69 0.00 0.00 174.62 174.58 3hnn s PHE 108 N -1.36 3.68 -0.06 4.92 0.40 0.12 0.23 117.98 125.90 3hnn s PHE 108 Ca 0.35 0.84 0.05 0.00 -0.60 0.00 0.00 56.93 57.57 3hnn s PHE 108 Cb -0.16 -2.18 -0.00 0.00 0.51 0.00 0.00 43.02 41.19 3hnn s PHE 108 CO 0.19 0.65 -0.20 0.08 0.70 0.00 0.00 175.22 176.63 3hnn s VAL 109 N -1.12 1.68 0.14 -0.44 1.01 -1.05 0.02 120.40 120.63 3hnn s VAL 109 Ca 0.23 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 3hnn s VAL 109 Cb -0.15 -1.44 0.07 0.00 0.00 0.00 0.00 36.38 34.86 3hnn s VAL 109 CO 0.12 0.48 1.02 0.00 0.00 0.00 0.00 175.10 176.72 3hnn s SER 111 N -3.06 6.88 0.23 0.00 0.15 -1.26 -4.15 113.70 112.50 3hnn s SER 111 Ca 0.15 2.14 0.04 0.00 0.70 0.00 0.00 55.95 58.98 3hnn s SER 111 Cb -0.01 -2.60 0.64 0.00 -1.71 0.00 0.00 66.02 62.34 3hnn s SER 111 CO 0.02 -0.41 1.12 0.18 1.20 0.00 0.00 173.24 175.36 3hnn n LEU 112 N 0.32 -0.01 -0.28 3.45 4.77 -1.26 0.01 117.00 124.00 3hnn n LEU 112 Ca 0.03 1.21 0.06 0.00 -0.03 0.00 0.00 56.01 57.28 3hnn n LEU 112 Cb 0.48 -0.47 0.20 0.00 -2.33 0.00 0.00 43.42 41.29 3hnn n LEU 112 CO 0.48 -1.25 1.08 -0.65 -1.33 0.00 0.00 177.39 175.71 3hnn h PRO 113 N 0.00 0.57 0.00 3.23 0.11 -1.93 -3.17 132.00 130.81 3hnn h PRO 113 Ca 0.47 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.48 3hnn h PRO 113 Cb 1.05 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 3hnn h PRO 113 CO -0.65 0.37 -0.30 0.00 -0.21 0.00 0.00 178.00 177.22 3hnn h ALA 114 N 1.53 1.32 -0.15 -0.75 0.00 -0.75 -2.99 119.26 117.47 3hnn h ALA 114 Ca 0.43 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3hnn h ALA 114 Cb 0.59 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 3hnn h ALA 114 CO -0.35 0.38 -0.34 0.00 0.00 0.00 0.00 179.25 178.93 3hnn h ALA 115 N 1.70 -0.40 -0.82 0.00 0.00 -1.63 -2.45 119.26 115.64 3hnn h ALA 115 Ca -0.00 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.04 3hnn h ALA 115 Cb 0.60 0.65 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 3hnn h ALA 115 CO 0.04 -0.82 0.45 0.78 0.00 0.00 0.00 179.25 179.70 3hnn h GLY 116 N -0.41 1.30 1.90 0.00 0.00 -1.70 -1.74 103.07 102.42 3hnn h GLY 116 Ca 0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3hnn h GLY 116 CO -0.38 0.07 0.05 -0.55 0.00 0.00 0.00 176.54 175.74 3hnn h ASP 117 N 0.73 0.12 0.23 0.19 3.32 -1.51 -3.12 116.42 116.36 3hnn h ASP 117 Ca 0.41 -0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.12 3hnn h ASP 117 Cb 0.45 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3hnn h ASP 117 CO -0.28 0.10 -1.97 -0.11 -1.72 0.00 0.00 179.24 175.26 3hnn n LEU 118 N -4.51 1.97 -0.32 1.55 0.00 -0.70 -3.18 117.00 111.82 3hnn n LEU 118 Ca -0.01 0.24 -0.04 0.00 0.00 0.00 0.00 56.01 56.19 3hnn n LEU 118 Cb 0.09 -0.61 0.09 0.00 0.00 0.00 0.00 43.42 42.99 3hnn n LEU 118 CO 0.34 0.70 1.15 0.03 0.00 0.00 0.00 177.39 179.61 3hnn h ARG 119 N 0.04 1.24 0.00 1.96 3.08 -1.45 -1.44 114.38 117.81 3hnn h ARG 119 Ca -0.40 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.49 3hnn h ARG 119 Cb 2.03 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.85 3hnn h ARG 119 CO 0.07 0.93 0.00 0.00 -1.07 0.00 0.00 179.97 179.89 3hnn n ALA 120 N -2.41 1.86 0.01 0.04 0.00 -1.18 -3.99 120.51 114.83 3hnn n ALA 120 Ca 0.09 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 3hnn n ALA 120 Cb 0.12 -1.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.10 3hnn n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hnn h ALA 121 N 2.45 -0.00 -2.85 0.00 0.00 -1.21 -3.41 119.26 114.24 3hnn h ALA 121 Ca 0.00 -0.16 -0.68 0.00 0.00 0.00 0.00 54.91 54.07 3hnn h ALA 121 Cb 0.43 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.00 3hnn h ALA 121 CO 0.00 -0.34 -0.55 -0.06 0.00 0.00 0.00 179.25 178.31 3hnn s PHE 122 N -4.90 3.19 -1.73 0.00 0.40 -1.25 -4.98 117.98 108.71 3hnn s PHE 122 Ca -0.15 -0.60 0.07 0.00 -0.60 0.00 0.00 56.93 55.65 3hnn s PHE 122 Cb 0.03 -2.37 0.41 0.00 0.51 0.00 0.00 43.02 41.59 3hnn s PHE 122 CO 0.67 -0.48 0.99 -2.30 0.70 0.00 0.00 175.22 174.81 3hnn n PRO 123 N 4.99 0.17 0.00 0.24 -0.02 -1.26 -4.03 135.00 135.09 3hnn n PRO 123 Ca -0.13 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3hnn n PRO 123 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 3hnn n PRO 123 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hnn n ASP 124 N -1.14 0.00 -4.82 2.55 9.92 -1.26 -5.12 116.55 116.68 3hnn n ASP 124 Ca 0.05 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 53.97 3hnn n ASP 124 Cb 0.04 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.45 3hnn n ASP 124 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3hnn s ASP 125 N -3.97 6.99 0.40 -2.24 1.11 -1.26 -5.05 116.67 112.65 3hnn s ASP 125 Ca 0.00 1.65 -0.24 0.00 0.18 0.00 0.00 52.55 54.14 3hnn s ASP 125 Cb 0.00 -2.52 -0.09 0.00 1.07 0.00 0.00 42.92 41.38 3hnn s ASP 125 CO 0.00 -0.27 1.05 0.21 1.18 0.00 0.00 175.17 177.34 3hnn s ASN 126 N -2.07 6.76 0.09 0.27 2.47 -1.26 -4.89 114.94 116.31 3hnn s ASN 126 Ca 0.58 2.05 0.06 0.00 0.42 0.00 0.00 52.86 55.97 3hnn s ASN 126 Cb -0.11 -2.59 -0.03 0.00 -1.45 0.00 0.00 41.25 37.07 3hnn s ASN 126 CO 0.16 -0.49 -0.16 -0.76 -3.72 0.00 0.00 177.10 172.13 3hnn s LEU 127 N -2.62 2.30 -0.82 3.21 1.43 -1.26 -5.10 118.68 115.82 3hnn s LEU 127 Ca 0.57 -0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 3hnn s LEU 127 Cb -0.22 -0.64 0.18 0.00 0.03 0.00 0.00 46.19 45.54 3hnn s LEU 127 CO 0.28 -0.04 0.83 0.20 0.23 0.00 0.00 176.35 177.85 3hnn s ASN 128 N -1.86 6.65 0.03 2.29 0.01 -1.26 -5.04 114.94 115.76 3hnn s ASN 128 Ca 0.02 -2.39 -0.01 0.00 -0.71 0.00 0.00 52.86 49.76 3hnn s ASN 128 Cb -0.10 -2.26 -0.04 0.00 0.41 0.00 0.00 41.25 39.26 3hnn s ASN 128 CO 0.03 -0.74 0.20 -0.63 -1.51 0.00 0.00 177.10 174.45 3hnn s ILE 129 N 1.02 5.41 -0.38 0.60 1.01 -1.26 0.16 121.20 127.76 3hnn s ILE 129 Ca 0.20 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.59 3hnn s ILE 129 Cb -0.11 -3.59 0.15 0.00 0.01 0.00 0.00 42.46 38.92 3hnn s ILE 129 CO -0.07 0.23 0.25 -0.22 0.00 0.00 0.00 174.94 175.13 3hnn s LEU 130 N -2.23 1.32 0.00 2.97 2.96 0.10 -4.86 118.68 118.95 3hnn s LEU 130 Ca 0.31 -2.47 0.00 0.00 -0.22 0.00 0.00 54.13 51.75 3hnn s LEU 130 Cb -0.13 -0.49 0.00 0.00 0.50 0.00 0.00 46.19 46.07 3hnn s LEU 130 CO 0.23 -0.27 0.00 -2.65 -1.32 0.00 0.00 176.35 172.35 3hnn n PRO 131 N 3.66 -1.10 0.02 0.98 -0.02 -1.26 -3.28 135.00 134.00 3hnn n PRO 131 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3hnn n PRO 131 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.87 3hnn n PRO 131 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hnn n ARG 133 N -1.42 0.00 0.00 -0.52 1.74 -1.26 -4.82 116.66 110.38 3hnn n ARG 133 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hnn n ARG 133 Cb 0.00 -0.08 0.00 0.00 -1.02 0.00 0.00 32.46 31.36 3hnn n ARG 133 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hnn n GLY 134 N 1.74 -0.69 0.02 -0.13 0.00 -1.26 -4.71 105.19 100.15 3hnn n GLY 134 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3hnn n GLY 134 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hnn n LYS 135 N 0.00 2.90 -2.38 1.61 4.81 -1.26 -4.85 118.16 118.99 3hnn n LYS 135 Ca 0.00 -0.01 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 3hnn n LYS 135 Cb 0.00 -1.10 -0.03 0.00 0.02 0.00 0.00 35.03 33.92 3hnn n LYS 135 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3hnn s GLU 136 N -2.12 4.46 0.58 1.64 0.41 -1.26 -4.99 118.70 117.42 3hnn s GLU 136 Ca -0.02 1.86 0.08 0.00 -0.41 0.00 0.00 54.97 56.48 3hnn s GLU 136 Cb 0.01 -3.03 0.08 0.00 -1.78 0.00 0.00 34.13 29.41 3hnn s GLU 136 CO 0.16 0.03 0.64 0.95 -0.49 0.00 0.00 175.26 176.55 3hnn s THR 137 N -1.24 1.78 -0.06 3.63 -4.23 -1.26 -4.13 115.64 110.14 3hnn s THR 137 Ca 0.48 -1.22 -0.03 0.00 -1.18 0.00 0.00 61.69 59.74 3hnn s THR 137 Cb -0.32 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.55 3hnn s THR 137 CO 0.42 0.00 0.11 -0.22 -0.54 0.00 0.00 174.62 174.38 3hnn s LEU 138 N -4.54 0.11 -0.25 4.79 0.20 -0.57 -4.96 118.68 113.46 3hnn s LEU 138 Ca 0.49 0.20 -0.12 0.00 0.69 0.00 0.00 54.13 55.38 3hnn s LEU 138 Cb -0.04 0.06 -0.05 0.00 -0.43 0.00 0.00 46.19 45.74 3hnn s LEU 138 CO 0.31 -0.24 0.24 -0.62 -0.29 0.00 0.00 176.35 175.75 3hnn s ASP 139 N 2.13 6.17 0.00 3.68 -1.08 -1.26 0.68 116.67 126.99 3hnn s ASP 139 Ca 0.03 0.17 0.21 0.00 -0.52 0.00 0.00 52.55 52.44 3hnn s ASP 139 Cb -0.12 -2.15 -0.17 0.00 -1.46 0.00 0.00 42.92 39.02 3hnn s ASP 139 CO -0.04 -0.03 0.92 0.18 0.52 0.00 0.00 175.17 176.71 3hnn n LEU 140 N 4.69 1.22 0.00 -1.34 4.77 -1.02 -4.89 117.00 120.44 3hnn n LEU 140 Ca -0.13 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 3hnn n LEU 140 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3hnn n LEU 140 CO 0.36 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3hnn n GLY 141 N 1.46 0.32 2.68 -0.72 0.00 -1.26 0.14 105.19 107.81 3hnn n GLY 141 Ca 0.05 -1.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 3hnn n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hnn n LYS 142 N 0.59 -1.62 0.00 1.61 5.02 -1.26 -1.45 118.16 121.05 3hnn n LYS 142 Ca 0.00 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 3hnn n LYS 142 Cb 0.00 -5.36 0.00 0.00 -0.02 0.00 0.00 35.03 29.65 3hnn n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hnn n GLY 143 N 0.05 1.67 2.56 0.72 0.00 -1.26 -5.01 105.19 103.92 3hnn n GLY 143 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3hnn n GLY 143 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hnn n HIS 144 N -1.23 3.00 -2.59 1.61 8.25 -0.53 -3.76 115.22 119.98 3hnn n HIS 144 Ca 0.00 -2.99 -0.42 0.00 -0.26 0.00 0.00 57.72 54.04 3hnn n HIS 144 Cb 0.00 -2.51 -0.03 0.00 1.12 0.00 0.00 29.99 28.58 3hnn n HIS 144 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hnn s VAL 145 N 2.79 4.54 -0.20 1.59 1.01 -1.26 -2.43 120.40 126.44 3hnn s VAL 145 Ca 0.57 1.83 -0.13 0.00 0.00 0.00 0.00 61.98 64.25 3hnn s VAL 145 Cb 0.16 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 3hnn s VAL 145 CO -0.07 0.06 0.26 -0.76 0.00 0.00 0.00 175.10 174.58 3hnn s LEU 146 N 1.69 4.18 -0.05 3.92 1.02 0.21 -1.50 118.68 128.16 3hnn s LEU 146 Ca 0.53 0.37 -0.04 0.00 0.02 0.00 0.00 54.13 55.01 3hnn s LEU 146 Cb -0.22 -2.30 -0.04 0.00 0.02 0.00 0.00 46.19 43.65 3hnn s LEU 146 CO 0.23 0.06 0.13 -0.54 0.02 0.00 0.00 176.35 176.25 3hnn s LYS 147 N 0.82 3.32 -0.08 1.70 1.02 0.58 -1.52 119.74 125.59 3hnn s LYS 147 Ca 0.14 -0.30 0.03 0.00 0.02 0.00 0.00 55.97 55.86 3hnn s LYS 147 Cb -0.13 -3.06 -0.01 0.00 -0.52 0.00 0.00 37.83 34.11 3hnn s LYS 147 CO 0.04 0.71 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.93 3hnn s PHE 148 N -1.16 2.63 -0.51 3.18 0.40 -1.26 -0.74 117.98 120.52 3hnn s PHE 148 Ca 0.21 -0.59 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 3hnn s PHE 148 Cb -0.12 -1.69 0.15 0.00 0.51 0.00 0.00 43.02 41.86 3hnn s PHE 148 CO 0.11 -0.13 0.32 -0.51 0.70 0.00 0.00 175.22 175.71 3hnn s LEU 149 N -0.10 3.20 0.30 -0.37 1.02 0.50 -4.53 118.68 118.71 3hnn s LEU 149 Ca -0.04 -3.03 -0.30 0.00 0.02 0.00 0.00 54.13 50.78 3hnn s LEU 149 Cb -0.14 -1.16 -0.11 0.00 0.02 0.00 0.00 46.19 44.80 3hnn s LEU 149 CO 0.04 -0.20 1.56 -2.84 0.02 0.00 0.00 176.35 174.93 3hnn s PRO 150 N -0.20 4.13 -0.48 1.29 0.02 -1.26 -1.68 135.00 136.82 3hnn s PRO 150 Ca 0.22 2.55 0.08 0.00 0.02 0.00 0.00 61.00 63.87 3hnn s PRO 150 Cb -0.16 -3.02 0.27 0.00 0.02 0.00 0.00 34.50 31.62 3hnn s PRO 150 CO -0.07 -0.60 0.67 0.44 -0.33 0.00 0.00 177.00 177.11 3hnn n ILE 151 N 1.88 0.70 -1.99 2.83 -5.35 0.68 -4.91 119.36 113.20 3hnn n ILE 151 Ca 0.07 -4.63 -0.37 0.00 -0.27 0.00 0.00 62.75 57.55 3hnn n ILE 151 Cb 0.38 -1.68 0.03 0.00 -1.74 0.00 0.00 39.64 36.62 3hnn n ILE 151 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3hnn s PRO 152 N -2.00 3.11 0.21 6.28 0.04 -1.24 -4.43 135.00 136.97 3hnn s PRO 152 Ca 0.39 1.91 -0.16 0.00 0.04 0.00 0.00 61.00 63.18 3hnn s PRO 152 Cb 0.20 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.69 3hnn s PRO 152 CO -0.08 -1.12 0.52 -1.54 0.04 0.00 0.00 177.00 174.83 3hnn s SER 153 N -1.42 -0.20 0.14 6.66 1.04 -0.81 -4.96 113.70 114.16 3hnn s SER 153 Ca 0.74 -0.61 -0.20 0.00 0.48 0.00 0.00 55.95 56.36 3hnn s SER 153 Cb -0.32 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.41 3hnn s SER 153 CO 0.36 -1.10 1.67 -0.65 0.98 0.00 0.00 173.24 174.51 3hnn h PRO 154 N 2.21 -0.10 -0.42 4.02 0.11 -1.98 -1.07 132.00 134.77 3hnn h PRO 154 Ca -0.27 0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.70 3hnn h PRO 154 Cb 1.26 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3hnn h PRO 154 CO 0.36 -0.07 -0.31 -0.09 -0.21 0.00 0.00 178.00 177.68 3hnn h ARG 155 N -0.11 0.95 -2.92 1.05 9.65 -2.00 -3.37 114.38 117.63 3hnn h ARG 155 Ca 0.13 -0.46 -0.61 0.00 -1.10 0.00 0.00 59.98 57.94 3hnn h ARG 155 Cb 0.31 -0.01 -0.40 0.00 -1.39 0.00 0.00 29.97 28.48 3hnn h ARG 155 CO -0.31 1.12 -0.72 -1.58 2.80 0.00 0.00 179.97 181.28 3hnn s TRP 156 N -4.51 2.45 0.49 2.20 0.51 -1.05 -4.89 118.94 114.14 3hnn s TRP 156 Ca -0.11 -2.79 0.36 0.00 -2.12 0.00 0.00 56.10 51.44 3hnn s TRP 156 Cb 0.12 -2.05 1.90 0.00 -0.81 0.00 0.00 33.47 32.63 3hnn s TRP 156 CO 0.88 -0.71 2.21 -1.00 -0.51 0.00 0.00 176.95 177.82 3hnn h PRO 157 N 6.02 0.00 0.00 4.98 0.13 -1.37 -0.74 132.00 141.02 3hnn h PRO 157 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3hnn h PRO 157 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3hnn h PRO 157 CO 0.56 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.36 3hnn h ALA 158 N 1.97 1.00 -0.73 -0.56 0.00 -1.90 -3.41 119.26 115.62 3hnn h ALA 158 Ca -0.00 0.00 -0.77 0.00 0.00 0.00 0.00 54.91 54.14 3hnn h ALA 158 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hnn h ALA 158 CO 0.00 0.00 0.73 0.41 0.00 0.00 0.00 179.25 180.39 3hnn n GLY 159 N 0.35 0.11 2.99 0.00 0.00 -0.35 -4.34 105.19 103.96 3hnn n GLY 159 Ca 0.02 0.93 -0.13 0.00 0.00 0.00 0.00 46.02 46.84 3hnn n GLY 159 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hnn s LEU 160 N 3.20 0.95 -0.10 0.99 2.96 0.41 -0.23 118.68 126.86 3hnn s LEU 160 Ca 0.97 0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 55.22 3hnn s LEU 160 Cb -1.35 0.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.81 3hnn s LEU 160 CO 0.71 -0.11 -0.08 0.00 -1.32 0.00 0.00 176.35 175.55 3hnn s THR 162 N -0.34 3.08 -0.11 0.00 2.01 -0.92 -0.37 115.64 118.98 3hnn s THR 162 Ca 0.05 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.34 3hnn s THR 162 Cb -0.12 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.20 3hnn s THR 162 CO 0.02 0.59 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.96 3hnn s TYR 163 N -0.68 1.71 -0.34 4.92 5.04 0.08 0.61 117.35 128.68 3hnn s TYR 163 Ca 0.10 -0.83 -0.21 0.00 -2.44 0.00 0.00 57.07 53.69 3hnn s TYR 163 Cb -0.11 -1.31 -0.00 0.00 0.35 0.00 0.00 41.96 40.89 3hnn s TYR 163 CO 0.01 -0.49 0.66 0.34 -1.34 0.00 0.00 175.55 174.72 3hnn s ASP 164 N 1.32 6.47 0.24 4.32 -1.08 -0.48 -0.30 116.67 127.16 3hnn s ASP 164 Ca -0.01 0.29 -0.05 0.00 -0.52 0.00 0.00 52.55 52.26 3hnn s ASP 164 Cb -0.14 -2.34 0.27 0.00 -1.46 0.00 0.00 42.92 39.25 3hnn s ASP 164 CO -0.05 -0.57 1.78 0.58 0.52 0.00 0.00 175.17 177.43 3hnn h VAL 165 N 5.64 1.24 -0.30 1.11 2.07 -1.54 0.54 116.25 125.01 3hnn h VAL 165 Ca -0.26 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.32 3hnn h VAL 165 Cb 1.11 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3hnn h VAL 165 CO 0.83 0.33 -0.10 -0.61 0.02 0.00 0.00 177.57 178.04 3hnn h GLN 166 N 0.96 0.60 0.00 1.57 5.75 -1.80 -3.27 115.11 118.91 3hnn h GLN 166 Ca 0.21 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3hnn h GLN 166 Cb 0.30 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.83 3hnn h GLN 166 CO -0.00 0.81 -1.27 0.25 -2.65 0.00 0.00 178.83 175.96 3hnn n THR 167 N -4.45 0.07 -3.27 2.39 -2.24 -1.17 -4.99 114.28 100.62 3hnn n THR 167 Ca -0.03 -0.23 -0.24 0.00 -2.27 0.00 0.00 64.05 61.28 3hnn n THR 167 Cb 0.34 0.42 0.03 0.00 -2.10 0.00 0.00 70.33 69.02 3hnn n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hnn n GLN 168 N -1.88 -5.12 -3.63 -0.78 6.02 0.19 -4.73 117.38 107.45 3hnn n GLN 168 Ca 0.01 0.78 -0.37 0.00 -0.01 0.00 0.00 57.00 57.41 3hnn n GLN 168 Cb 0.44 -5.64 -0.06 0.00 1.02 0.00 0.00 30.24 25.99 3hnn n GLN 168 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hnn s ILE 169 N -3.16 5.28 -0.23 5.09 1.01 -1.19 -0.76 121.20 127.23 3hnn s ILE 169 Ca 0.40 0.53 -0.05 0.00 0.00 0.00 0.00 60.65 61.54 3hnn s ILE 169 Cb -0.19 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 3hnn s ILE 169 CO 0.50 0.51 -0.01 -0.22 0.00 0.00 0.00 174.94 175.72 3hnn s LEU 170 N -0.44 3.09 -0.43 2.97 2.96 -0.51 -1.39 118.68 124.93 3hnn s LEU 170 Ca 0.18 -0.42 -0.22 0.00 -0.22 0.00 0.00 54.13 53.45 3hnn s LEU 170 Cb -0.14 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.80 3hnn s LEU 170 CO 0.07 -0.04 0.74 -0.31 -1.32 0.00 0.00 176.35 175.48 3hnn s TYR 171 N 1.50 3.03 -0.74 5.38 1.51 0.20 -0.45 117.35 127.77 3hnn s TYR 171 Ca 0.05 0.16 0.12 0.00 -1.01 0.00 0.00 57.07 56.39 3hnn s TYR 171 Cb -0.15 -3.53 -0.08 0.00 -0.11 0.00 0.00 41.96 38.08 3hnn s TYR 171 CO -0.02 -0.91 0.57 0.25 -1.11 0.00 0.00 175.55 174.33 3hnn n THR 172 N 6.01 0.00 0.00 -0.71 -2.24 -1.03 -2.16 114.28 114.15 3hnn n THR 172 Ca 0.01 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3hnn n THR 172 Cb 0.48 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 3hnn n THR 172 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hnn n ASP 173 N -0.91 0.00 0.16 3.42 -0.08 -1.26 -2.23 116.55 115.64 3hnn n ASP 173 Ca 0.03 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.33 3hnn n ASP 173 Cb 0.21 0.00 0.22 0.00 2.34 0.00 0.00 41.12 43.89 3hnn n ASP 173 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3hnn h LYS 174 N 0.00 0.00 -6.88 -0.67 1.79 -1.94 0.13 116.57 109.00 3hnn h LYS 174 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 3hnn h LYS 174 Cb 0.00 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 30.70 3hnn h LYS 174 CO 0.00 0.52 0.59 0.42 -1.08 0.00 0.00 179.45 179.90 3hnn s ILE 175 N -3.53 2.93 0.00 1.86 -1.09 -0.95 -3.81 121.20 116.61 3hnn s ILE 175 Ca -0.00 0.91 0.00 0.00 -2.23 0.00 0.00 60.65 59.33 3hnn s ILE 175 Cb 0.11 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 3hnn s ILE 175 CO 0.73 0.20 0.00 0.49 -1.23 0.00 0.00 174.94 175.13 3hnn n PHE 176 N 0.76 0.00 -1.54 3.97 3.72 -1.26 -4.66 117.46 118.45 3hnn n PHE 176 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.18 3hnn n PHE 176 Cb 0.43 -0.26 0.17 0.00 -0.94 0.00 0.00 39.48 38.88 3hnn n PHE 176 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hnn n GLY 177 N -2.03 -1.70 3.36 1.37 0.00 -1.25 -5.00 105.19 99.94 3hnn n GLY 177 Ca 0.00 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 3hnn n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hnn s ALA 178 N -3.77 -1.15 -1.05 4.61 0.00 -0.44 -4.72 121.76 115.24 3hnn s ALA 178 Ca 0.57 1.06 -0.14 0.00 0.00 0.00 0.00 51.96 53.45 3hnn s ALA 178 Cb -0.02 -0.44 0.19 0.00 0.00 0.00 0.00 23.12 22.84 3hnn s ALA 178 CO 0.41 -0.25 1.18 -1.01 0.00 0.00 0.00 175.76 176.09 3hnn s HIS 179 N -0.37 3.58 -0.13 0.00 3.76 -1.26 -1.79 115.29 119.08 3hnn s HIS 179 Ca -0.05 -2.01 -0.09 0.00 -0.15 0.00 0.00 55.06 52.75 3hnn s HIS 179 Cb -0.03 -4.14 0.04 0.00 1.11 0.00 0.00 32.58 29.56 3hnn s HIS 179 CO 0.03 -1.27 0.33 -1.50 -0.85 0.00 0.00 174.74 171.48 3hnn s ILE 180 N 1.13 -0.02 -0.17 0.60 2.07 -1.09 -4.50 121.20 119.22 3hnn s ILE 180 Ca 0.34 0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.59 3hnn s ILE 180 Cb -0.06 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 3hnn s ILE 180 CO -0.06 0.02 -0.02 0.00 -1.91 0.00 0.00 174.94 172.98 3hnn n GLY 182 N 3.82 1.94 0.12 0.00 0.00 -1.26 -4.86 105.19 104.95 3hnn n GLY 182 Ca -0.17 -1.50 0.02 0.00 0.00 0.00 0.00 46.02 44.37 3hnn n GLY 182 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hnn h ASP 183 N 1.74 0.00 -3.02 1.61 3.32 -2.00 -3.45 116.42 114.62 3hnn h ASP 183 Ca -0.25 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.25 3hnn h ASP 183 Cb 1.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3hnn h ASP 183 CO 0.34 0.51 0.75 -1.81 -1.72 0.00 0.00 179.24 177.30 3hnn s ASP 184 N -6.08 6.97 0.10 6.45 1.01 -1.26 -4.93 116.67 118.93 3hnn s ASP 184 Ca 0.01 1.95 -0.08 0.00 0.71 0.00 0.00 52.55 55.14 3hnn s ASP 184 Cb 0.08 -2.56 -0.18 0.00 1.01 0.00 0.00 42.92 41.27 3hnn s ASP 184 CO 0.78 -0.63 1.23 0.58 0.21 0.00 0.00 175.17 177.33 3hnn h VAL 185 N 4.94 1.36 -1.96 -1.27 2.07 -1.97 -3.43 116.25 115.98 3hnn h VAL 185 Ca -0.36 -2.46 -0.48 0.00 0.82 0.00 0.00 66.70 64.23 3hnn h VAL 185 Cb 1.17 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 33.42 3hnn h VAL 185 CO 0.89 0.74 -0.43 -0.36 0.02 0.00 0.00 177.57 178.43 3hnn s PHE 186 N -3.18 3.10 -0.24 1.57 0.08 -1.26 -0.02 117.98 118.04 3hnn s PHE 186 Ca -0.07 -0.19 -0.00 0.00 0.12 0.00 0.00 56.93 56.79 3hnn s PHE 186 Cb 0.08 -1.73 0.19 0.00 -0.57 0.00 0.00 43.02 40.99 3hnn s PHE 186 CO 0.89 0.24 1.86 -0.40 -0.10 0.00 0.00 175.22 177.72 3hnn n ASP 187 N -1.41 5.58 0.05 1.36 5.75 -0.15 -4.57 116.55 123.15 3hnn n ASP 187 Ca -0.04 -2.86 -0.05 0.00 -0.01 0.00 0.00 54.79 51.83 3hnn n ASP 187 Cb 0.58 -0.97 0.14 0.00 -1.03 0.00 0.00 41.12 39.84 3hnn n ASP 187 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3hnn h ASP 188 N 1.16 0.41 -0.13 -1.12 3.32 -1.95 -2.98 116.42 115.11 3hnn h ASP 188 Ca 0.24 -0.19 -0.70 0.00 0.02 0.00 0.00 57.03 56.39 3hnn h ASP 188 Cb 1.11 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 3hnn h ASP 188 CO 0.57 0.82 3.21 -3.20 -1.72 0.00 0.00 179.24 178.92 3hnn n ASN 189 N -3.99 5.26 -0.13 6.45 2.85 -1.26 -4.79 115.26 119.66 3hnn n ASN 189 Ca -0.02 -2.80 0.03 0.00 -0.11 0.00 0.00 54.58 51.68 3hnn n ASN 189 Cb 0.54 -1.61 0.34 0.00 1.24 0.00 0.00 39.78 40.28 3hnn n ASN 189 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 3hnn h TRP 190 N 5.70 0.74 -0.07 1.20 5.08 -1.92 -2.53 115.95 124.16 3hnn h TRP 190 Ca 0.64 0.02 -0.04 0.00 1.08 0.00 0.00 58.89 60.58 3hnn h TRP 190 Cb 0.54 -0.25 -0.01 0.00 -3.00 0.00 0.00 29.16 26.44 3hnn h TRP 190 CO 1.55 0.45 -0.15 1.49 -1.28 0.00 0.00 178.44 180.50 3hnn h GLU 191 N 0.79 0.10 0.00 0.12 4.81 -1.90 -1.60 114.58 116.90 3hnn h GLU 191 Ca 0.24 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3hnn h GLU 191 Cb -0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3hnn h GLU 191 CO -0.06 0.26 0.00 -1.13 -0.73 0.00 0.00 179.01 177.35 3hnn n SER 192 N -4.31 0.00 -0.00 1.04 3.41 -0.95 -3.49 113.62 109.32 3hnn n SER 192 Ca -0.02 0.28 0.04 0.00 -0.26 0.00 0.00 58.87 58.92 3hnn n SER 192 Cb 0.25 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 63.72 3hnn n SER 192 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hnn n PHE 193 N -1.42 0.00 -0.12 7.33 3.72 -0.65 -4.76 117.46 121.56 3hnn n PHE 193 Ca 0.09 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.38 3hnn n PHE 193 Cb 0.28 -0.06 -0.05 0.00 -0.94 0.00 0.00 39.48 38.70 3hnn n PHE 193 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3hnn h LYS 194 N 0.00 -0.33 -0.86 -1.08 1.57 -1.48 -0.37 116.57 114.02 3hnn h LYS 194 Ca 0.00 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 3hnn h LYS 194 Cb 0.26 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.57 3hnn h LYS 194 CO 0.00 -0.22 0.50 1.49 -0.57 0.00 0.00 179.45 180.65 3hnn h GLU 195 N -0.34 0.79 0.00 3.15 4.81 -1.86 -2.23 114.58 118.89 3hnn h GLU 195 Ca 0.13 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 3hnn h GLU 195 Cb 0.59 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3hnn h GLU 195 CO -0.57 0.52 -0.45 -0.44 -0.73 0.00 0.00 179.01 177.34 3hnn h ASP 196 N 0.81 0.00 0.19 1.04 5.19 -1.61 0.46 116.42 122.50 3hnn h ASP 196 Ca 0.42 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.58 3hnn h ASP 196 Cb 0.42 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.94 3hnn h ASP 196 CO -0.26 0.45 -1.03 1.56 -3.12 0.00 0.00 179.24 176.83 3hnn h GLN 197 N 0.00 0.55 0.75 3.56 4.20 -0.67 -1.57 115.11 121.93 3hnn h GLN 197 Ca -0.00 -0.62 -0.04 0.00 0.06 0.00 0.00 58.65 58.05 3hnn h GLN 197 Cb 0.91 0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.87 3hnn h GLN 197 CO 0.06 1.23 -0.36 -0.09 -0.67 0.00 0.00 178.83 179.00 3hnn h ARG 198 N 0.30 -0.98 -0.92 1.46 2.43 -1.29 -2.19 114.38 113.18 3hnn h ARG 198 Ca -0.12 0.07 0.26 0.00 -0.81 0.00 0.00 59.98 59.38 3hnn h ARG 198 Cb 1.68 0.22 -0.14 0.00 -0.42 0.00 0.00 29.97 31.31 3hnn h ARG 198 CO 0.19 -0.65 0.35 -0.92 -1.51 0.00 0.00 179.97 177.43 3hnn h TYR 199 N -1.27 0.54 -0.35 2.20 3.20 -0.99 -0.39 116.97 119.92 3hnn h TYR 199 Ca -0.10 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 3hnn h TYR 199 Cb 0.78 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3hnn h TYR 199 CO 0.00 -0.19 0.05 -0.92 -1.64 0.00 0.00 178.16 175.46 3hnn h TYR 200 N 0.26 0.62 -0.83 -3.82 5.03 -1.30 -2.50 116.97 114.42 3hnn h TYR 200 Ca 0.61 -0.09 0.04 0.00 2.58 0.00 0.00 58.73 61.87 3hnn h TYR 200 Cb 1.28 -0.17 -0.05 0.00 1.55 0.00 0.00 36.73 39.34 3hnn h TYR 200 CO -0.18 0.65 0.55 0.35 -1.32 0.00 0.00 178.16 178.20 3hnn h PHE 201 N 0.41 0.98 -0.38 -3.82 3.04 -0.43 -1.48 116.94 115.26 3hnn h PHE 201 Ca 0.10 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.92 3hnn h PHE 201 Cb 0.36 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.54 3hnn h PHE 201 CO 0.03 0.56 -0.39 -0.91 -2.02 0.00 0.00 178.31 175.57 3hnn h ASN 202 N 1.01 1.01 -0.08 0.41 2.35 -1.18 0.15 115.58 119.25 3hnn h ASN 202 Ca 0.34 -0.47 -0.07 0.00 -0.55 0.00 0.00 56.30 55.54 3hnn h ASN 202 Cb 0.07 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.15 3hnn h ASN 202 CO -0.10 1.27 -0.24 0.00 -1.65 0.00 0.00 177.43 176.71 3hnn n LEU 204 N -4.50 3.24 0.00 0.00 4.77 -0.57 -4.85 117.00 115.09 3hnn n LEU 204 Ca -0.08 -2.12 0.00 0.00 -0.03 0.00 0.00 56.01 53.78 3hnn n LEU 204 Cb 0.44 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3hnn n LEU 204 CO 0.40 0.76 0.00 0.00 -1.33 0.00 0.00 177.39 177.22 3hnn n ALA 206 N 0.58 0.00 0.26 -1.18 0.00 0.53 -4.80 120.51 115.89 3hnn n ALA 206 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.64 3hnn n ALA 206 Cb 0.52 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.21 3hnn n ALA 206 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hnn n PRO 207 N 0.00 0.04 -1.15 0.00 -0.04 -1.26 -3.07 135.00 129.52 3hnn n PRO 207 Ca 0.00 0.41 -0.08 0.00 -0.04 0.00 0.00 63.50 63.79 3hnn n PRO 207 Cb 0.00 -1.59 0.14 0.00 -0.04 0.00 0.00 33.50 32.01 3hnn n PRO 207 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hnn n HIS 208 N -1.66 1.27 -0.28 0.54 8.25 -1.26 -4.91 115.22 117.16 3hnn n HIS 208 Ca 0.01 -1.83 0.09 0.00 -0.26 0.00 0.00 57.72 55.74 3hnn n HIS 208 Cb 0.10 -0.38 0.24 0.00 1.12 0.00 0.00 29.99 31.06 3hnn n HIS 208 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hnn h ALA 209 N 1.43 1.18 0.00 -1.41 0.00 -1.90 -0.66 119.26 117.90 3hnn h ALA 209 Ca 0.19 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 3hnn h ALA 209 Cb 1.31 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3hnn h ALA 209 CO 0.40 -0.34 -0.33 -0.84 0.00 0.00 0.00 179.25 178.14 3hnn h ILE 210 N 0.33 0.85 0.02 0.00 3.07 -1.91 -1.67 117.51 118.19 3hnn h ILE 210 Ca 0.48 -1.34 -0.27 0.00 1.55 0.00 0.00 64.86 65.28 3hnn h ILE 210 Cb 0.87 1.82 0.02 0.00 -0.27 0.00 0.00 36.82 39.26 3hnn h ILE 210 CO -0.52 0.32 -1.06 0.45 -1.05 0.00 0.00 178.15 176.29 3hnn h HIS 211 N 0.00 0.97 -0.46 0.16 3.86 -1.56 -1.65 115.15 116.48 3hnn h HIS 211 Ca -0.00 -0.54 0.08 0.00 -1.16 0.00 0.00 60.37 58.75 3hnn h HIS 211 Cb 0.80 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 29.09 3hnn h HIS 211 CO 0.00 1.38 0.05 0.28 0.86 0.00 0.00 177.93 180.50 3hnn h VAL 212 N 0.35 0.70 -0.73 2.45 2.07 -1.02 0.27 116.25 120.35 3hnn h VAL 212 Ca -0.13 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3hnn h VAL 212 Cb 1.71 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 3hnn h VAL 212 CO 0.20 0.03 0.30 -0.33 0.02 0.00 0.00 177.57 177.79 3hnn h GLU 213 N 0.17 1.07 0.13 1.57 5.08 -1.31 -0.95 114.58 120.34 3hnn h GLU 213 Ca 0.23 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3hnn h GLU 213 Cb 0.32 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3hnn h GLU 213 CO -0.34 0.87 -0.06 0.00 -1.00 0.00 0.00 179.01 178.48 3hnn h ALA 214 N 1.27 -0.17 -0.72 3.43 0.00 -0.38 -2.39 119.26 120.29 3hnn h ALA 214 Ca 0.25 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3hnn h ALA 214 Cb 0.19 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3hnn h ALA 214 CO -0.02 -0.50 0.48 0.00 0.00 0.00 0.00 179.25 179.21 3hnn h ALA 215 N 0.47 2.01 -0.36 0.00 0.00 -0.28 0.36 119.26 121.46 3hnn h ALA 215 Ca -0.02 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3hnn h ALA 215 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hnn h ALA 215 CO 0.03 -0.18 -0.35 -0.07 0.00 0.00 0.00 179.25 178.68 3hnn h LEU 216 N 0.48 0.86 -0.28 0.00 3.38 -0.90 -2.64 115.31 116.21 3hnn h LEU 216 Ca 0.34 -0.37 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 3hnn h LEU 216 Cb 0.67 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hnn h LEU 216 CO -0.11 1.12 -0.77 -0.08 0.09 0.00 0.00 178.44 178.69 3hnn h GLU 217 N 0.68 0.58 -0.17 1.13 4.22 -0.90 -2.64 114.58 117.48 3hnn h GLU 217 Ca 0.07 -0.48 0.05 0.00 0.08 0.00 0.00 59.36 59.07 3hnn h GLU 217 Cb 0.90 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 3hnn h GLU 217 CO 0.08 1.11 0.13 0.87 -2.18 0.00 0.00 179.01 179.02 3hnn h LYS 218 N 0.39 0.00 -0.01 1.92 1.57 -0.76 -2.92 116.57 116.76 3hnn h LYS 218 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hnn h LYS 218 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 3hnn h LYS 218 CO 0.14 0.00 -0.48 0.44 -0.57 0.00 0.00 179.45 178.98 3hnn n ILE 219 N -4.32 0.00 0.31 1.86 -5.35 -1.01 -4.70 119.36 106.15 3hnn n ILE 219 Ca 0.01 -0.26 0.14 0.00 -0.27 0.00 0.00 62.75 62.37 3hnn n ILE 219 Cb 0.26 1.14 0.62 0.00 -1.74 0.00 0.00 39.64 39.92 3hnn n ILE 219 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3hnn h SER 220 N 1.32 0.00 0.93 7.28 4.64 -1.26 -2.07 113.55 124.39 3hnn h SER 220 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hnn h SER 220 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3hnn h SER 220 CO 0.00 0.00 -0.27 0.47 -0.87 0.00 0.00 176.83 176.16 3hnn n ASP 221 N -2.48 0.44 -4.78 4.97 8.00 -1.26 -4.93 116.55 116.51 3hnn n ASP 221 Ca 0.01 0.23 -0.38 0.00 0.71 0.00 0.00 54.79 55.35 3hnn n ASP 221 Cb 0.18 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.01 3hnn n ASP 221 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hnn s LEU 222 N -3.57 4.51 -0.55 0.64 1.43 -0.78 -5.02 118.68 115.35 3hnn s LEU 222 Ca 0.11 1.66 -0.22 0.00 -1.03 0.00 0.00 54.13 54.65 3hnn s LEU 222 Cb 0.16 -3.50 0.05 0.00 0.03 0.00 0.00 46.19 42.93 3hnn s LEU 222 CO 0.63 0.13 0.84 -1.58 0.23 0.00 0.00 176.35 176.60 3hnn s GLN 223 N -1.46 3.24 -0.11 1.70 0.74 -1.26 -5.03 119.66 117.49 3hnn s GLN 223 Ca 0.40 -0.53 0.02 0.00 0.05 0.00 0.00 55.36 55.30 3hnn s GLN 223 Cb -0.21 -4.09 -0.01 0.00 1.10 0.00 0.00 33.01 29.80 3hnn s GLN 223 CO 0.25 -1.43 -0.19 0.08 -0.55 0.00 0.00 175.29 173.45 3hnn s VAL 224 N 3.53 2.51 -0.20 1.34 1.01 -1.26 -4.77 120.40 122.56 3hnn s VAL 224 Ca 0.25 -0.86 0.22 0.00 0.00 0.00 0.00 61.98 61.58 3hnn s VAL 224 Cb -0.15 -2.00 -0.30 0.00 0.00 0.00 0.00 36.38 33.92 3hnn s VAL 224 CO 0.16 0.55 0.59 0.54 0.00 0.00 0.00 175.10 176.93 3hnn n ARG 225 N 3.46 0.55 -3.64 2.72 5.12 0.06 -4.98 116.66 119.95 3hnn n ARG 225 Ca -0.18 -0.15 -0.09 0.00 -1.93 0.00 0.00 57.85 55.49 3hnn n ARG 225 Cb 0.53 -1.53 -0.07 0.00 -1.16 0.00 0.00 32.46 30.22 3hnn n ARG 225 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3hnn s LEU 226 N -4.32 -0.77 -0.51 0.55 2.96 -1.24 -4.74 118.68 110.60 3hnn s LEU 226 Ca -0.05 1.34 -0.21 0.00 -0.22 0.00 0.00 54.13 54.99 3hnn s LEU 226 Cb 0.14 2.29 0.05 0.00 0.50 0.00 0.00 46.19 49.17 3hnn s LEU 226 CO 0.89 -0.22 0.75 -0.31 -1.32 0.00 0.00 176.35 176.15 3hnn s TYR 227 N 0.98 2.95 -1.17 5.38 2.02 -0.34 -1.42 117.35 125.75 3hnn s TYR 227 Ca -0.05 -0.24 -0.19 0.00 -0.37 0.00 0.00 57.07 56.22 3hnn s TYR 227 Cb -0.05 -3.71 0.08 0.00 -0.40 0.00 0.00 41.96 37.88 3hnn s TYR 227 CO -0.10 -1.12 1.57 0.00 -1.57 0.00 0.00 175.55 174.33 3hnn s ALA 228 N 3.17 3.19 0.65 3.71 0.00 0.40 -1.97 121.76 130.92 3hnn s ALA 228 Ca 0.23 -2.74 -0.11 0.00 0.00 0.00 0.00 51.96 49.34 3hnn s ALA 228 Cb -0.16 -4.52 -0.01 0.00 0.00 0.00 0.00 23.12 18.43 3hnn s ALA 228 CO 0.16 -3.33 1.05 0.14 0.00 0.00 0.00 175.76 173.78 3hnn s VAL 229 N 4.10 4.13 0.02 0.00 -7.23 -1.26 -2.45 120.40 117.70 3hnn s VAL 229 Ca 0.49 0.64 0.10 0.00 -1.81 0.00 0.00 61.98 61.40 3hnn s VAL 229 Cb 0.01 -3.68 -0.10 0.00 0.56 0.00 0.00 36.38 33.18 3hnn s VAL 229 CO 0.00 -0.88 1.35 1.23 -0.31 0.00 0.00 175.10 176.50 3hnn h GLY 230 N -0.44 0.00 -5.53 2.32 0.00 -1.01 -3.42 103.07 94.99 3hnn h GLY 230 Ca -0.45 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.40 3hnn h GLY 230 CO 0.63 0.00 -0.81 0.30 0.00 0.00 0.00 176.54 176.66 3hnn s HIS 231 N -2.83 1.26 0.00 5.60 3.76 -1.26 -0.02 115.29 121.80 3hnn s HIS 231 Ca 0.02 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 3hnn s HIS 231 Cb 0.09 -0.89 0.00 0.00 1.11 0.00 0.00 32.58 32.89 3hnn s HIS 231 CO 0.79 -0.15 0.00 0.41 -0.85 0.00 0.00 174.74 174.94 3hnn n GLY 232 N 3.35 -1.78 3.77 -2.22 0.00 -0.74 -1.32 105.19 106.24 3hnn n GLY 232 Ca -0.19 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 3hnn n GLY 232 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hnn s PRO 233 N 0.00 3.21 0.31 1.61 0.04 -1.26 -4.90 135.00 134.00 3hnn s PRO 233 Ca 0.00 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 3hnn s PRO 233 Cb 0.00 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 3hnn s PRO 233 CO 0.00 -0.99 1.25 -0.51 0.04 0.00 0.00 177.00 176.79 3hnn s LEU 234 N -3.90 4.46 -0.33 -3.56 1.02 0.98 -4.68 118.68 112.66 3hnn s LEU 234 Ca 0.75 2.55 -0.12 0.00 0.02 0.00 0.00 54.13 57.33 3hnn s LEU 234 Cb -0.26 -3.64 -0.01 0.00 0.02 0.00 0.00 46.19 42.29 3hnn s LEU 234 CO 0.29 -0.42 0.21 -0.69 0.02 0.00 0.00 176.35 175.76 3hnn s VAL 235 N -1.06 5.06 0.14 -1.59 1.01 -0.83 -0.98 120.40 122.15 3hnn s VAL 235 Ca 0.48 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3hnn s VAL 235 Cb -0.37 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3hnn s VAL 235 CO 0.49 -0.00 0.00 -1.14 0.00 0.00 0.00 175.10 174.45 3hnn n ARG 236 N 5.07 0.00 -0.15 2.72 0.63 -1.26 -1.19 116.66 122.47 3hnn n ARG 236 Ca -0.13 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.70 3hnn n ARG 236 Cb 0.49 -0.04 -0.01 0.00 0.45 0.00 0.00 32.46 33.36 3hnn n ARG 236 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3hnn h THR 237 N 0.00 1.27 -0.28 5.15 2.02 -1.86 -2.95 112.91 116.26 3hnn h THR 237 Ca 0.00 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.08 3hnn h THR 237 Cb 0.00 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3hnn h THR 237 CO 0.00 0.37 0.00 -1.20 0.37 0.00 0.00 175.52 175.06 3hnn n SER 238 N -4.36 2.21 0.02 4.18 7.64 -1.26 -4.60 113.62 117.45 3hnn n SER 238 Ca -0.00 -1.84 -0.10 0.00 1.01 0.00 0.00 58.87 57.93 3hnn n SER 238 Cb 0.32 -0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.27 3hnn n SER 238 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3hnn h LEU 239 N 2.78 -1.10 0.15 -3.43 6.46 -1.78 0.29 115.31 118.67 3hnn h LEU 239 Ca 0.00 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3hnn h LEU 239 Cb 0.62 0.42 -0.00 0.00 -0.73 0.00 0.00 40.66 40.97 3hnn h LEU 239 CO 0.00 -0.33 -0.08 0.40 -0.62 0.00 0.00 178.44 177.80 3hnn h ILE 240 N -0.42 0.83 -1.00 4.05 2.04 -1.83 -0.70 117.51 120.49 3hnn h ILE 240 Ca 0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.92 3hnn h ILE 240 Cb 0.46 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 3hnn h ILE 240 CO -0.25 0.00 0.65 0.00 0.00 0.00 0.00 178.15 178.55 3hnn h ALA 241 N 0.63 1.37 -0.46 1.87 0.00 -1.84 -1.96 119.26 118.87 3hnn h ALA 241 Ca -0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3hnn h ALA 241 Cb 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hnn h ALA 241 CO 0.03 0.52 -0.24 1.25 0.00 0.00 0.00 179.25 180.80 3hnn h LEU 242 N 1.23 1.00 -1.22 0.00 5.85 -0.17 -0.41 115.31 121.60 3hnn h LEU 242 Ca 0.41 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3hnn h LEU 242 Cb 0.05 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3hnn h LEU 242 CO -0.14 1.18 -0.01 0.74 -0.34 0.00 0.00 178.44 179.87 3hnn h THR 243 N 0.83 1.20 0.12 1.05 2.02 -0.71 0.11 112.91 117.52 3hnn h THR 243 Ca 0.10 -0.80 -0.27 0.00 0.77 0.00 0.00 66.41 66.21 3hnn h THR 243 Cb 0.82 0.96 0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3hnn h THR 243 CO 0.07 0.27 -1.20 1.56 0.37 0.00 0.00 175.52 176.59 3hnn h GLN 244 N 0.50 0.35 -0.66 6.66 1.08 -1.28 -2.22 115.11 119.54 3hnn h GLN 244 Ca 0.11 -0.53 0.05 0.00 -1.45 0.00 0.00 58.65 56.82 3hnn h GLN 244 Cb 0.34 0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 3hnn h GLN 244 CO 0.01 1.23 0.38 0.00 -0.95 0.00 0.00 178.83 179.50 3hnn h ALA 245 N 0.55 0.88 -0.34 3.87 0.00 -0.70 0.12 119.26 123.64 3hnn h ALA 245 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hnn h ALA 245 Cb 1.90 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 3hnn h ALA 245 CO 0.21 0.09 0.22 1.88 0.00 0.00 0.00 179.25 181.64 3hnn h TYR 246 N 0.72 0.44 -0.59 0.00 -1.99 -0.99 0.22 116.97 114.79 3hnn h TYR 246 Ca 0.29 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.01 3hnn h TYR 246 Cb 0.13 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 38.68 3hnn h TYR 246 CO -0.07 0.29 0.31 0.00 -0.00 0.00 0.00 178.16 178.69 3hnn h ALA 247 N 1.11 0.75 -0.05 3.88 0.00 -0.98 -1.63 119.26 122.34 3hnn h ALA 247 Ca 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hnn h ALA 247 Cb -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3hnn h ALA 247 CO -0.03 0.29 -0.18 -0.44 0.00 0.00 0.00 179.25 178.89 3hnn h ASP 248 N 0.80 0.25 0.12 0.00 3.32 -0.65 -0.25 116.42 120.01 3hnn h ASP 248 Ca 0.21 -0.62 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 3hnn h ASP 248 Cb 0.07 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hnn h ASP 248 CO -0.03 0.83 -0.06 -0.50 -1.72 0.00 0.00 179.24 177.75 3hnn h TRP 249 N -0.32 0.00 0.10 4.55 6.55 -0.55 -0.67 115.95 125.61 3hnn h TRP 249 Ca -0.01 0.00 -0.33 0.00 0.95 0.00 0.00 58.89 59.50 3hnn h TRP 249 Cb 0.81 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.09 3hnn h TRP 249 CO 0.13 0.06 -1.80 0.77 -1.05 0.00 0.00 178.44 176.56 3hnn h SER 250 N 0.00 0.33 0.93 -3.49 0.02 -1.25 -2.70 113.55 107.38 3hnn h SER 250 Ca -0.00 -0.63 -0.02 0.00 -0.84 0.00 0.00 61.79 60.30 3hnn h SER 250 Cb 0.14 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 3hnn h SER 250 CO 0.01 1.55 -0.09 0.07 -1.14 0.00 0.00 176.83 177.24 3hnn h LYS 251 N 0.06 0.00 0.01 3.45 2.10 -0.90 -2.88 116.57 118.40 3hnn h LYS 251 Ca -0.34 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.16 3hnn h LYS 251 Cb 2.03 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.37 3hnn h LYS 251 CO 0.11 0.09 -0.58 0.00 -2.00 0.00 0.00 179.45 177.07 3hnn h ALA 252 N 1.91 0.06 0.00 0.07 0.00 -1.20 -3.32 119.26 116.78 3hnn h ALA 252 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3hnn h ALA 252 Cb 0.57 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hnn h ALA 252 CO 0.01 0.33 0.00 0.37 0.00 0.00 0.00 179.25 179.96 3hnn h GLN 253 N -0.16 0.00 -0.45 0.00 5.75 -1.36 -2.31 115.11 116.58 3hnn h GLN 253 Ca -0.07 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.36 3hnn h GLN 253 Cb 1.30 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.83 3hnn h GLN 253 CO 0.11 0.00 0.02 0.87 -2.65 0.00 0.00 178.83 177.18 3hnn h LYS 254 N 0.00 0.79 -0.77 1.69 1.57 -1.61 -3.05 116.57 115.19 3hnn h LYS 254 Ca 0.00 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 3hnn h LYS 254 Cb 0.35 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 3hnn h LYS 254 CO 0.00 0.84 0.45 -0.07 -0.57 0.00 0.00 179.45 180.10 3hnn h LEU 255 N 0.64 0.94 0.00 2.94 3.38 -1.55 -2.67 115.31 118.99 3hnn h LEU 255 Ca 0.13 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hnn h LEU 255 Cb 0.47 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hnn h LEU 255 CO 0.02 0.74 0.00 -0.62 0.09 0.00 0.00 178.44 178.67 3hnn n GLU 256 N -4.47 0.58 -0.19 1.13 4.71 -1.16 -5.17 120.64 116.08 3hnn n GLU 256 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 3hnn n GLU 256 Cb 0.07 -1.24 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 3hnn n GLU 256 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94