#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vil n GLU 2 N 0.00 -1.30 -0.16 5.55 0.28 -1.26 -4.77 120.64 118.98 2vil n GLU 2 Ca 0.00 1.14 0.03 0.00 -0.16 0.00 0.00 57.16 58.17 2vil n GLU 2 Cb 0.00 -1.57 0.10 0.00 1.43 0.00 0.00 31.44 31.39 2vil n GLU 2 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 2vil n LEU 3 N 0.31 1.56 -0.64 -1.84 -0.00 -1.26 -3.71 117.00 111.43 2vil n LEU 3 Ca -0.06 -0.79 0.10 0.00 -0.00 0.00 0.00 56.01 55.27 2vil n LEU 3 Cb 0.60 -0.31 0.33 0.00 -0.00 0.00 0.00 43.42 44.04 2vil n LEU 3 CO 0.35 0.30 0.75 -1.54 -0.00 0.00 0.00 177.39 177.25 2vil n SER 4 N 0.11 1.91 0.00 1.45 3.41 -1.26 -3.42 113.62 115.82 2vil n SER 4 Ca 0.07 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 2vil n SER 4 Cb 0.31 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2vil n SER 4 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2vil n LYS 5 N 0.49 0.00 -0.76 4.33 4.81 -1.24 -4.51 118.16 121.27 2vil n LYS 5 Ca 0.16 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.45 2vil n LYS 5 Cb 0.36 -0.24 0.06 0.00 0.02 0.00 0.00 35.03 35.23 2vil n LYS 5 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2vil n LYS 6 N -2.48 1.72 0.00 1.64 4.76 -1.26 -3.97 118.16 118.57 2vil n LYS 6 Ca 0.00 -1.53 0.00 0.00 -2.87 0.00 0.00 58.31 53.91 2vil n LYS 6 Cb 0.14 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 2vil n LYS 6 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2vil n VAL 7 N 0.04 0.00 0.17 -0.18 0.31 -1.25 -4.87 118.33 112.54 2vil n VAL 7 Ca 0.30 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.68 2vil n VAL 7 Cb 0.80 -0.02 0.51 0.00 -0.91 0.00 0.00 33.84 34.22 2vil n VAL 7 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2vil h THR 8 N 0.00 1.09 -0.99 2.52 1.35 -1.73 0.25 112.91 115.40 2vil h THR 8 Ca 0.00 -0.37 0.29 0.00 -0.55 0.00 0.00 66.41 65.78 2vil h THR 8 Cb 0.00 1.03 -0.04 0.00 -1.73 0.00 0.00 68.15 67.41 2vil h THR 8 CO 0.00 0.12 0.97 1.23 -0.25 0.00 0.00 175.52 177.59 2vil h GLY 9 N 0.41 0.00 0.00 5.82 0.00 -1.87 -3.32 103.07 104.11 2vil h GLY 9 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2vil h GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 2vil n LYS 10 N -3.60 0.00 -0.31 4.80 5.02 -0.63 -5.01 118.16 118.43 2vil n LYS 10 Ca 0.22 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.53 2vil n LYS 10 Cb 1.28 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 36.44 2vil n LYS 10 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2vil n LEU 11 N 0.00 2.63 0.00 -0.35 -0.00 0.77 -4.72 117.00 115.33 2vil n LEU 11 Ca 0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 56.01 54.68 2vil n LEU 11 Cb 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 42.86 2vil n LEU 11 CO 0.00 0.38 0.00 -0.90 -0.00 0.00 0.00 177.39 176.87 2vil n ASP 12 N 0.22 0.00 -3.65 1.45 5.68 -1.26 -5.04 116.55 113.95 2vil n ASP 12 Ca 0.10 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.34 2vil n ASP 12 Cb 0.58 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.49 2vil n ASP 12 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2vil s LYS 13 N -0.08 0.55 -1.24 0.11 1.02 -1.26 -4.95 119.74 113.89 2vil s LYS 13 Ca 0.00 1.28 -0.15 0.00 0.02 0.00 0.00 55.97 57.11 2vil s LYS 13 Cb 0.00 0.53 -0.00 0.00 -0.52 0.00 0.00 37.83 37.84 2vil s LYS 13 CO 0.00 -0.19 0.65 0.25 -0.92 0.00 0.00 175.35 175.14 2vil n THR 14 N 5.08 -4.57 -3.15 2.17 -2.24 -1.26 -4.95 114.28 105.36 2vil n THR 14 Ca -0.14 -0.77 0.05 0.00 -2.27 0.00 0.00 64.05 60.92 2vil n THR 14 Cb 0.52 -3.55 -0.01 0.00 -2.10 0.00 0.00 70.33 65.19 2vil n THR 14 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2vil s THR 15 N -3.64 -0.68 -0.01 4.28 2.01 -1.26 -5.14 115.64 111.20 2vil s THR 15 Ca 0.31 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 2vil s THR 15 Cb -0.12 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 2vil s THR 15 CO 0.88 0.00 1.11 -2.16 -0.69 0.00 0.00 174.62 173.76 2vil s PRO 16 N 2.90 4.44 0.00 4.92 0.04 -1.26 -4.69 135.00 141.36 2vil s PRO 16 Ca 0.13 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2vil s PRO 16 Cb -0.11 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2vil s PRO 16 CO -0.19 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.00 2vil n GLY 17 N 3.15 3.19 3.26 0.56 0.00 -0.63 -4.99 105.19 109.73 2vil n GLY 17 Ca 0.09 -1.53 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 2vil n GLY 17 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2vil s ILE 18 N -2.00 1.74 0.02 -0.61 -1.16 -1.26 -1.78 121.20 116.15 2vil s ILE 18 Ca 0.00 -1.13 0.00 0.00 -0.51 0.00 0.00 60.65 59.01 2vil s ILE 18 Cb 0.00 -1.48 -0.00 0.00 0.61 0.00 0.00 42.46 41.59 2vil s ILE 18 CO 0.00 0.32 0.00 0.00 -2.81 0.00 0.00 174.94 172.45 2vil n GLN 19 N 2.08 1.94 -4.10 3.50 0.00 -0.40 -4.90 117.38 115.50 2vil n GLN 19 Ca -0.16 -0.15 -0.15 0.00 0.00 0.00 0.00 57.00 56.53 2vil n GLN 19 Cb 0.53 0.04 -0.04 0.00 0.00 0.00 0.00 30.24 30.77 2vil n GLN 19 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2vil s ILE 20 N -1.08 0.00 -0.07 -0.39 1.01 -1.09 -1.39 121.20 118.19 2vil s ILE 20 Ca 0.00 -1.63 -0.01 0.00 0.00 0.00 0.00 60.65 59.01 2vil s ILE 20 Cb 0.00 -2.63 0.03 0.00 0.01 0.00 0.00 42.46 39.86 2vil s ILE 20 CO 0.00 0.00 -0.02 0.26 0.00 0.00 0.00 174.94 175.18 2vil s TRP 21 N -3.07 0.77 -0.03 3.97 0.51 0.24 0.51 118.94 121.85 2vil s TRP 21 Ca 0.31 -0.23 -0.27 0.00 -2.12 0.00 0.00 56.10 53.79 2vil s TRP 21 Cb -0.00 -0.81 -0.03 0.00 -0.81 0.00 0.00 33.47 31.81 2vil s TRP 21 CO 0.21 -0.32 0.87 -0.98 -0.51 0.00 0.00 176.95 176.22 2vil s ARG 22 N 1.70 4.51 -0.16 4.98 1.70 0.21 -1.87 118.95 130.03 2vil s ARG 22 Ca 0.01 1.21 0.15 0.00 -0.47 0.00 0.00 55.73 56.63 2vil s ARG 22 Cb -0.13 -3.45 0.34 0.00 -0.57 0.00 0.00 34.95 31.14 2vil s ARG 22 CO -0.04 -0.00 1.18 -0.89 -1.08 0.00 0.00 175.30 174.46 2vil n ILE 23 N 3.85 1.92 0.01 4.99 5.41 -0.37 -1.13 119.36 134.04 2vil n ILE 23 Ca 0.03 -2.60 -0.12 0.00 1.00 0.00 0.00 62.75 61.07 2vil n ILE 23 Cb 0.51 -0.18 -0.07 0.00 -0.71 0.00 0.00 39.64 39.18 2vil n ILE 23 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2vil h GLU 24 N 0.47 0.05 -1.81 0.38 4.11 -1.73 -2.53 114.58 113.52 2vil h GLU 24 Ca -0.01 -0.01 -0.23 0.00 0.07 0.00 0.00 59.36 59.19 2vil h GLU 24 Cb 1.04 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.19 2vil h GLU 24 CO 0.00 0.21 0.17 0.27 0.07 0.00 0.00 179.01 179.73 2vil n ASN 25 N -4.98 5.94 -3.24 3.06 6.94 -1.26 -4.01 115.26 117.71 2vil n ASN 25 Ca -0.07 -2.80 -0.21 0.00 -0.02 0.00 0.00 54.58 51.49 2vil n ASN 25 Cb 0.11 -1.16 -0.01 0.00 -2.36 0.00 0.00 39.78 36.37 2vil n ASN 25 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2vil n MET 26 N 1.09 -3.06 -3.70 -3.83 2.81 -0.95 -4.90 117.12 104.58 2vil n MET 26 Ca 0.25 0.43 -0.11 0.00 -1.81 0.00 0.00 57.70 56.46 2vil n MET 26 Cb 0.60 -5.10 -0.11 0.00 -0.71 0.00 0.00 33.22 27.90 2vil n MET 26 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2vil s GLU 27 N -5.87 0.41 0.20 0.03 2.12 -1.25 -5.07 118.70 109.26 2vil s GLU 27 Ca 0.34 0.76 -0.28 0.00 0.36 0.00 0.00 54.97 56.15 2vil s GLU 27 Cb -0.18 0.01 -0.08 0.00 0.26 0.00 0.00 34.13 34.14 2vil s GLU 27 CO 0.42 -0.14 0.89 1.41 -0.54 0.00 0.00 175.26 177.29 2vil s MET 28 N 1.24 4.74 -0.01 4.30 -2.45 -1.22 -3.41 119.30 122.50 2vil s MET 28 Ca -0.08 1.37 -0.06 0.00 -1.25 0.00 0.00 55.69 55.67 2vil s MET 28 Cb -0.08 -3.29 0.00 0.00 1.25 0.00 0.00 34.83 32.72 2vil s MET 28 CO -0.11 0.49 0.12 0.08 1.05 0.00 0.00 175.02 176.65 2vil s VAL 29 N -0.99 0.07 -0.98 10.11 1.01 -0.28 -0.62 120.40 128.71 2vil s VAL 29 Ca 0.40 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 2vil s VAL 29 Cb -0.25 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 2vil s VAL 29 CO 0.30 -0.31 1.83 -2.16 0.00 0.00 0.00 175.10 174.76 2vil s PRO 30 N -1.06 2.82 -0.26 2.72 0.04 -1.26 -0.62 135.00 137.38 2vil s PRO 30 Ca -0.11 -0.65 -0.29 0.00 0.04 0.00 0.00 61.00 59.99 2vil s PRO 30 Cb -0.06 -5.17 -0.03 0.00 0.04 0.00 0.00 34.50 29.28 2vil s PRO 30 CO 0.01 -3.17 1.81 0.08 0.04 0.00 0.00 177.00 175.77 2vil s VAL 31 N 8.91 3.45 0.00 -0.36 1.01 0.18 -4.94 120.40 128.65 2vil s VAL 31 Ca 0.64 0.48 0.00 0.00 0.00 0.00 0.00 61.98 63.10 2vil s VAL 31 Cb -0.04 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2vil s VAL 31 CO -0.00 -0.30 0.00 -0.81 0.00 0.00 0.00 175.10 173.99 2vil n PRO 32 N 8.20 1.17 0.04 2.72 -0.04 -1.26 -2.66 135.00 143.17 2vil n PRO 32 Ca 0.22 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 2vil n PRO 32 Cb 0.46 0.00 0.26 0.00 -0.04 0.00 0.00 33.50 34.18 2vil n PRO 32 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2vil n THR 33 N -0.05 0.21 0.25 0.52 -2.24 -1.26 -2.94 114.28 108.77 2vil n THR 33 Ca 0.00 -0.15 -0.05 0.00 -2.27 0.00 0.00 64.05 61.58 2vil n THR 33 Cb 0.00 -0.06 0.09 0.00 -2.10 0.00 0.00 70.33 68.26 2vil n THR 33 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2vil n LYS 34 N -1.84 1.75 0.00 -0.78 4.81 -1.26 -4.15 118.16 116.69 2vil n LYS 34 Ca 0.05 -1.08 0.00 0.00 -0.87 0.00 0.00 58.31 56.40 2vil n LYS 34 Cb 0.39 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 33.91 2vil n LYS 34 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2vil n SER 35 N 0.02 0.00 -4.53 3.14 7.64 -1.25 -5.11 113.62 113.53 2vil n SER 35 Ca 0.18 0.00 -0.55 0.00 1.01 0.00 0.00 58.87 59.50 2vil n SER 35 Cb 0.81 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.94 2vil n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2vil n TYR 36 N -1.23 0.94 0.00 1.43 4.11 -1.15 -3.61 117.16 117.65 2vil n TYR 36 Ca 0.00 0.88 0.00 0.00 -0.00 0.00 0.00 57.90 58.78 2vil n TYR 36 Cb 0.00 -2.18 0.00 0.00 -0.00 0.00 0.00 39.34 37.16 2vil n TYR 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2vil n GLY 37 N 1.91 1.95 3.39 -7.48 0.00 -1.26 -5.03 105.19 98.68 2vil n GLY 37 Ca 0.19 -0.40 -0.45 0.00 0.00 0.00 0.00 46.02 45.36 2vil n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vil s ASN 38 N -1.00 6.34 -0.12 1.61 -0.87 -1.24 -1.89 114.94 117.78 2vil s ASN 38 Ca 0.00 -1.69 0.02 0.00 -1.57 0.00 0.00 52.86 49.62 2vil s ASN 38 Cb 0.00 -2.31 -0.01 0.00 -0.02 0.00 0.00 41.25 38.91 2vil s ASN 38 CO 0.00 -1.05 -0.19 0.72 -2.57 0.00 0.00 177.10 174.01 2vil s PHE 39 N 2.43 2.68 0.65 2.20 -0.12 -0.92 -4.80 117.98 120.10 2vil s PHE 39 Ca 0.17 -0.89 -0.17 0.00 -0.05 0.00 0.00 56.93 55.98 2vil s PHE 39 Cb -0.18 -1.78 -0.15 0.00 -0.63 0.00 0.00 43.02 40.28 2vil s PHE 39 CO 0.02 -0.34 -0.33 0.66 -0.05 0.00 0.00 175.22 175.17 2vil n TYR 40 N 3.58 -3.58 -0.02 3.49 4.01 -1.26 -3.43 117.16 119.94 2vil n TYR 40 Ca -0.19 0.30 -0.12 0.00 -0.16 0.00 0.00 57.90 57.73 2vil n TYR 40 Cb 0.53 -1.59 -0.14 0.00 -0.31 0.00 0.00 39.34 37.83 2vil n TYR 40 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2vil n GLU 41 N 1.79 0.67 -2.26 -0.72 0.28 -0.56 -4.40 120.64 115.44 2vil n GLU 41 Ca 0.05 0.27 -0.41 0.00 -0.16 0.00 0.00 57.16 56.91 2vil n GLU 41 Cb 0.49 -1.75 0.00 0.00 1.43 0.00 0.00 31.44 31.61 2vil n GLU 41 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2vil n GLY 42 N 1.70 5.14 0.00 -1.84 0.00 -1.26 -4.26 105.19 104.66 2vil n GLY 42 Ca -0.22 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.63 2vil n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vil n ASP 43 N 2.28 2.19 -3.76 1.61 9.92 -0.23 -4.13 116.55 124.44 2vil n ASP 43 Ca 0.50 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.63 2vil n ASP 43 Cb 0.30 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.68 2vil n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2vil s TYR 45 N -0.33 0.13 -0.06 0.00 1.51 -0.35 -1.24 117.35 117.02 2vil s TYR 45 Ca -0.05 -0.14 -0.30 0.00 -1.01 0.00 0.00 57.07 55.58 2vil s TYR 45 Cb -0.03 -0.62 -0.02 0.00 -0.11 0.00 0.00 41.96 41.18 2vil s TYR 45 CO 0.02 -0.44 1.03 0.08 -1.11 0.00 0.00 175.55 175.13 2vil s VAL 46 N 2.16 4.71 0.30 0.71 1.01 -0.78 -1.44 120.40 127.07 2vil s VAL 46 Ca 0.03 1.97 0.08 0.00 0.00 0.00 0.00 61.98 64.06 2vil s VAL 46 Cb -0.15 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 2vil s VAL 46 CO -0.08 0.06 0.20 -0.22 0.00 0.00 0.00 175.10 175.07 2vil s LEU 47 N 1.66 3.57 -0.21 3.92 0.20 -0.47 0.80 118.68 128.15 2vil s LEU 47 Ca 0.51 -0.47 -0.05 0.00 0.69 0.00 0.00 54.13 54.81 2vil s LEU 47 Cb -0.20 -2.13 0.11 0.00 -0.43 0.00 0.00 46.19 43.54 2vil s LEU 47 CO 0.22 -0.20 0.39 -0.22 -0.29 0.00 0.00 176.35 176.25 2vil s LEU 48 N -3.88 -0.61 -0.13 -0.68 2.96 -0.49 -1.31 118.68 114.53 2vil s LEU 48 Ca 0.37 0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 54.84 2vil s LEU 48 Cb -0.06 1.19 -0.03 0.00 0.50 0.00 0.00 46.19 47.79 2vil s LEU 48 CO 0.25 -0.27 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.41 2vil s SER 49 N 2.57 4.70 -0.13 3.68 0.15 -0.60 -1.27 113.70 122.79 2vil s SER 49 Ca 0.06 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2vil s SER 49 Cb -0.14 -1.64 0.02 0.00 -1.71 0.00 0.00 66.02 62.55 2vil s SER 49 CO -0.14 0.21 -0.13 -0.89 1.20 0.00 0.00 173.24 173.50 2vil s THR 50 N 0.10 1.42 0.19 6.45 2.01 -0.73 -0.24 115.64 124.82 2vil s THR 50 Ca -0.01 -0.54 0.08 0.00 0.31 0.00 0.00 61.69 61.52 2vil s THR 50 Cb -0.14 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 2vil s THR 50 CO 0.03 0.43 -0.16 0.00 -0.69 0.00 0.00 174.62 174.23 2vil s ARG 51 N 1.47 1.30 0.53 4.92 1.70 -1.02 -1.60 118.95 126.25 2vil s ARG 51 Ca 0.03 -1.50 -0.18 0.00 -0.47 0.00 0.00 55.73 53.61 2vil s ARG 51 Cb -0.13 -1.21 -0.06 0.00 -0.57 0.00 0.00 34.95 32.97 2vil s ARG 51 CO -0.09 0.22 1.06 -1.59 -1.08 0.00 0.00 175.30 173.82 2vil s LYS 52 N -3.22 3.56 0.07 3.89 -2.85 -1.26 -1.51 119.74 118.42 2vil s LYS 52 Ca 0.19 1.33 0.01 0.00 -1.00 0.00 0.00 55.97 56.51 2vil s LYS 52 Cb -0.03 -2.06 -0.01 0.00 -2.06 0.00 0.00 37.83 33.67 2vil s LYS 52 CO 0.07 -0.63 0.05 0.25 0.10 0.00 0.00 175.35 175.19 2vil n THR 53 N -1.41 0.00 0.81 3.79 -2.24 -0.43 -4.80 114.28 110.00 2vil n THR 53 Ca 0.09 -0.49 0.13 0.00 -2.27 0.00 0.00 64.05 61.51 2vil n THR 53 Cb 0.52 0.23 0.39 0.00 -2.10 0.00 0.00 70.33 69.37 2vil n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vil n GLY 54 N 0.36 -1.48 0.07 3.38 0.00 -1.26 -3.97 105.19 102.28 2vil n GLY 54 Ca 0.01 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 2vil n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vil n SER 55 N -1.83 2.53 0.00 1.61 3.41 -1.26 -5.09 113.62 112.99 2vil n SER 55 Ca 0.05 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2vil n SER 55 Cb 0.38 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2vil n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vil n GLY 56 N 2.59 -1.62 3.20 5.00 0.00 -1.25 -5.15 105.19 107.94 2vil n GLY 56 Ca -0.24 0.78 -0.16 0.00 0.00 0.00 0.00 46.02 46.40 2vil n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vil s PHE 57 N 0.00 1.19 -0.20 1.61 0.08 -1.26 -1.31 117.98 118.09 2vil s PHE 57 Ca 0.00 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.46 2vil s PHE 57 Cb 0.00 -0.64 0.05 0.00 -0.57 0.00 0.00 43.02 41.86 2vil s PHE 57 CO 0.00 0.06 -0.07 -1.12 -0.10 0.00 0.00 175.22 173.99 2vil s SER 58 N -2.37 3.40 0.28 1.36 0.01 -0.57 -4.88 113.70 110.93 2vil s SER 58 Ca 0.06 -0.94 -0.05 0.00 1.31 0.00 0.00 55.95 56.33 2vil s SER 58 Cb -0.04 -1.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.03 2vil s SER 58 CO 0.01 -0.20 0.54 -0.31 0.41 0.00 0.00 173.24 173.70 2vil s TYR 59 N 1.47 3.48 -0.30 2.43 2.02 -1.26 -2.42 117.35 122.77 2vil s TYR 59 Ca -0.02 0.62 -0.03 0.00 -0.37 0.00 0.00 57.07 57.27 2vil s TYR 59 Cb -0.17 -2.09 0.11 0.00 -0.40 0.00 0.00 41.96 39.41 2vil s TYR 59 CO -0.07 0.20 0.14 -0.80 -1.57 0.00 0.00 175.55 173.45 2vil s ASN 60 N -3.13 3.42 -0.27 2.29 0.01 0.66 -1.47 114.94 116.46 2vil s ASN 60 Ca 0.44 -1.40 -0.21 0.00 -0.71 0.00 0.00 52.86 50.98 2vil s ASN 60 Cb -0.11 -0.34 -0.01 0.00 0.41 0.00 0.00 41.25 41.20 2vil s ASN 60 CO 0.29 -0.42 0.65 -0.63 -1.51 0.00 0.00 177.10 175.48 2vil s ILE 61 N 1.97 4.95 0.33 0.60 1.01 0.01 -1.55 121.20 128.52 2vil s ILE 61 Ca 0.10 1.10 0.08 0.00 0.00 0.00 0.00 60.65 61.93 2vil s ILE 61 Cb -0.17 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 2vil s ILE 61 CO -0.32 -0.03 0.20 -1.00 0.00 0.00 0.00 174.94 173.79 2vil s HIS 62 N 2.57 2.82 -0.25 3.97 3.76 -0.43 -1.22 115.29 126.52 2vil s HIS 62 Ca 0.27 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.82 2vil s HIS 62 Cb -0.15 -1.66 0.09 0.00 1.11 0.00 0.00 32.58 31.96 2vil s HIS 62 CO 0.09 0.30 0.11 1.52 -0.85 0.00 0.00 174.74 175.91 2vil s TYR 63 N -2.35 0.49 0.02 1.40 1.13 -0.90 -1.37 117.35 115.77 2vil s TYR 63 Ca 0.38 -0.81 -0.30 0.00 -1.41 0.00 0.00 57.07 54.94 2vil s TYR 63 Cb -0.04 -0.94 -0.04 0.00 -1.10 0.00 0.00 41.96 39.84 2vil s TYR 63 CO 0.24 -0.72 1.02 -0.46 -2.51 0.00 0.00 175.55 173.12 2vil s TRP 64 N 2.04 3.63 -0.59 -3.49 -0.00 -0.52 -2.33 118.94 117.68 2vil s TRP 64 Ca 0.06 1.64 0.06 0.00 -0.00 0.00 0.00 56.10 57.86 2vil s TRP 64 Cb -0.16 -3.17 0.29 0.00 -0.00 0.00 0.00 33.47 30.43 2vil s TRP 64 CO -0.25 -0.22 0.81 1.28 -0.00 0.00 0.00 176.95 178.56 2vil n LEU 65 N 3.84 3.65 -4.53 5.86 7.99 -0.80 -1.21 117.00 131.82 2vil n LEU 65 Ca 0.06 -5.47 -0.17 0.00 -0.01 0.00 0.00 56.01 50.43 2vil n LEU 65 Cb 0.50 -0.47 -0.14 0.00 -0.11 0.00 0.00 43.42 43.20 2vil n LEU 65 CO 0.53 2.18 1.57 0.61 -1.51 0.00 0.00 177.39 180.77 2vil n GLY 66 N 0.45 -0.30 3.34 -0.72 0.00 0.49 -3.82 105.19 104.63 2vil n GLY 66 Ca 0.30 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 46.21 2vil n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vil n LYS 67 N 7.34 0.00 0.00 1.61 3.00 -1.26 -1.07 118.16 127.79 2vil n LYS 67 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.86 2vil n LYS 67 Cb 0.31 -1.13 0.00 0.00 0.00 0.00 0.00 35.03 34.21 2vil n LYS 67 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2vil n ASN 68 N 6.98 0.00 -3.09 3.14 3.02 -1.26 -4.82 115.26 119.23 2vil n ASN 68 Ca 0.64 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.19 2vil n ASN 68 Cb 0.10 0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 2vil n ASN 68 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2vil n SER 69 N -1.94 0.00 -4.56 6.41 3.41 -1.26 -4.94 113.62 110.74 2vil n SER 69 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 2vil n SER 69 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 2vil n SER 69 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2vil s SER 70 N -1.86 3.50 0.55 4.04 1.04 -1.26 -4.96 113.70 114.75 2vil s SER 70 Ca 0.00 -1.32 0.35 0.00 0.48 0.00 0.00 55.95 55.46 2vil s SER 70 Cb 0.00 -0.32 1.50 0.00 0.10 0.00 0.00 66.02 67.30 2vil s SER 70 CO 0.00 -0.42 1.79 -0.61 0.98 0.00 0.00 173.24 174.99 2vil h GLN 71 N 1.92 0.00 -0.27 4.02 4.15 -2.00 0.34 115.11 123.28 2vil h GLN 71 Ca -0.43 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 58.92 2vil h GLN 71 Cb 1.24 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 2vil h GLN 71 CO 0.76 0.00 -0.12 0.38 -1.93 0.00 0.00 178.83 177.92 2vil h ASP 72 N 0.00 0.57 -0.76 -0.69 2.03 -1.98 -2.20 116.42 113.39 2vil h ASP 72 Ca 0.50 -0.40 0.07 0.00 -0.73 0.00 0.00 57.03 56.47 2vil h ASP 72 Cb 2.11 -0.16 -0.05 0.00 -0.83 0.00 0.00 39.33 40.40 2vil h ASP 72 CO -0.01 0.85 0.50 -0.33 -1.03 0.00 0.00 179.24 179.22 2vil h GLU 73 N 0.29 0.75 -0.37 4.15 3.07 -0.70 0.48 114.58 122.25 2vil h GLU 73 Ca 0.06 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 2vil h GLU 73 Cb 0.63 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 2vil h GLU 73 CO 0.04 0.49 0.01 0.37 -1.40 0.00 0.00 179.01 178.52 2vil h GLN 74 N 0.77 0.58 0.00 2.33 4.15 -1.13 0.11 115.11 121.92 2vil h GLN 74 Ca 0.33 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.63 2vil h GLN 74 Cb 0.31 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2vil h GLN 74 CO -0.12 0.60 0.00 0.41 -1.93 0.00 0.00 178.83 177.79 2vil n GLY 75 N -0.85 -1.64 0.06 2.39 0.00 0.13 -1.29 105.19 103.99 2vil n GLY 75 Ca 0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2vil n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vil h ALA 76 N 2.65 0.01 -0.05 4.61 0.00 0.16 -2.13 119.26 124.50 2vil h ALA 76 Ca 0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 54.91 54.34 2vil h ALA 76 Cb 0.67 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.50 2vil h ALA 76 CO 0.00 0.02 -0.96 0.00 0.00 0.00 0.00 179.25 178.31 2vil h ALA 77 N -0.41 0.20 -0.05 0.00 0.00 -1.42 -1.56 119.26 116.01 2vil h ALA 77 Ca -0.01 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 2vil h ALA 77 Cb 0.61 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2vil h ALA 77 CO -0.00 0.69 0.02 0.00 0.00 0.00 0.00 179.25 179.96 2vil h ALA 78 N 0.47 0.07 -0.46 0.00 0.00 -1.35 0.50 119.26 118.49 2vil h ALA 78 Ca -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2vil h ALA 78 Cb 1.60 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2vil h ALA 78 CO 0.19 -0.35 0.17 0.82 0.00 0.00 0.00 179.25 180.07 2vil h ILE 79 N -0.07 1.21 0.00 0.00 2.04 -1.44 -1.38 117.51 117.87 2vil h ILE 79 Ca 0.02 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 2vil h ILE 79 Cb 0.16 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2vil h ILE 79 CO -0.00 0.25 -0.08 1.88 0.00 0.00 0.00 178.15 180.20 2vil h TYR 80 N 0.60 0.00 0.00 1.37 0.05 -1.10 0.82 116.97 118.71 2vil h TYR 80 Ca 0.15 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.86 2vil h TYR 80 Cb 0.22 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 2vil h TYR 80 CO 0.01 0.08 -0.33 1.15 -1.05 0.00 0.00 178.16 178.02 2vil h THR 81 N 0.00 0.58 0.00 -2.88 2.02 0.12 -2.65 112.91 110.09 2vil h THR 81 Ca -0.00 -1.75 -0.05 0.00 0.77 0.00 0.00 66.41 65.38 2vil h THR 81 Cb 0.21 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 2vil h THR 81 CO 0.01 0.32 -1.01 0.74 0.37 0.00 0.00 175.52 175.95 2vil h THR 82 N 0.00 0.18 0.17 3.16 2.02 0.08 -3.05 112.91 115.46 2vil h THR 82 Ca -0.00 -1.33 -0.32 0.00 0.77 0.00 0.00 66.41 65.52 2vil h THR 82 Cb 1.21 1.73 0.01 0.00 -1.74 0.00 0.00 68.15 69.36 2vil h THR 82 CO 0.04 0.10 -1.56 1.56 0.37 0.00 0.00 175.52 176.04 2vil h GLN 83 N 0.00 0.36 0.00 6.66 4.20 -0.97 -3.25 115.11 122.11 2vil h GLN 83 Ca -0.05 -0.62 -0.15 0.00 0.06 0.00 0.00 58.65 57.89 2vil h GLN 83 Cb 1.18 0.23 -0.02 0.00 0.30 0.00 0.00 27.48 29.17 2vil h GLN 83 CO 0.02 1.26 -0.73 0.00 -0.67 0.00 0.00 178.83 178.71 2vil h MET 84 N 0.10 0.00 0.90 1.46 -0.00 -1.61 -2.42 114.93 113.36 2vil h MET 84 Ca -0.27 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.39 2vil h MET 84 Cb 2.07 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 33.68 2vil h MET 84 CO 0.20 0.73 -0.43 0.22 -0.00 0.00 0.00 176.91 177.62 2vil h ASP 85 N 0.00 -1.03 -0.19 -0.10 1.82 -1.62 0.09 116.42 115.39 2vil h ASP 85 Ca -0.01 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.62 2vil h ASP 85 Cb 1.35 0.27 -0.02 0.00 0.68 0.00 0.00 39.33 41.61 2vil h ASP 85 CO 0.09 -0.69 -0.00 1.05 -1.61 0.00 0.00 179.24 178.08 2vil h GLU 86 N -1.29 0.45 0.00 0.28 4.11 -1.65 -0.80 114.58 115.67 2vil h GLU 86 Ca -0.12 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.22 2vil h GLU 86 Cb 0.93 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2vil h GLU 86 CO 0.20 0.48 0.00 1.88 0.07 0.00 0.00 179.01 181.65 2vil h TYR 87 N 0.44 0.00 -0.48 2.06 0.05 -1.23 -2.45 116.97 115.35 2vil h TYR 87 Ca 0.10 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.78 2vil h TYR 87 Cb 0.29 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.98 2vil h TYR 87 CO 0.01 0.00 0.12 1.28 -1.05 0.00 0.00 178.16 178.52 2vil n LEU 88 N -2.47 4.70 0.00 3.88 4.77 0.00 -4.82 117.00 123.06 2vil n LEU 88 Ca 0.02 -2.42 0.00 0.00 -0.03 0.00 0.00 56.01 53.58 2vil n LEU 88 Cb 0.25 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2vil n LEU 88 CO 0.22 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 2vil n GLY 89 N 0.16 0.83 2.46 -0.72 0.00 -0.93 -3.59 105.19 103.40 2vil n GLY 89 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2vil n GLY 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vil n SER 90 N 0.00 -2.72 0.17 1.61 3.41 -0.88 -4.85 113.62 110.36 2vil n SER 90 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 2vil n SER 90 Cb 0.00 -0.97 0.13 0.00 -0.26 0.00 0.00 64.21 63.11 2vil n SER 90 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2vil h VAL 91 N 0.00 0.00 -3.99 -3.33 -1.51 -1.76 -3.46 116.25 102.19 2vil h VAL 91 Ca 0.00 -0.95 -0.48 0.00 -1.23 0.00 0.00 66.70 64.04 2vil h VAL 91 Cb 0.16 1.79 0.16 0.00 -2.13 0.00 0.00 31.29 31.26 2vil h VAL 91 CO 0.00 0.00 0.22 0.00 -1.23 0.00 0.00 177.57 176.56 2vil s ALA 92 N -3.25 1.29 0.39 5.19 0.00 -1.26 -4.16 121.76 119.96 2vil s ALA 92 Ca 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.96 2vil s ALA 92 Cb 0.07 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 20.00 2vil s ALA 92 CO 0.70 -2.57 0.12 0.28 0.00 0.00 0.00 175.76 174.29 2vil n VAL 93 N -4.03 0.00 -4.50 0.00 0.31 -0.54 -4.86 118.33 104.69 2vil n VAL 93 Ca 0.07 -1.70 -0.21 0.00 -0.01 0.00 0.00 64.34 62.49 2vil n VAL 93 Cb 0.55 0.15 -0.15 0.00 -0.91 0.00 0.00 33.84 33.48 2vil n VAL 93 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2vil s GLN 94 N -3.47 1.01 0.01 5.55 -0.21 -1.25 -0.81 119.66 120.50 2vil s GLN 94 Ca 0.09 -0.40 0.02 0.00 0.02 0.00 0.00 55.36 55.10 2vil s GLN 94 Cb -0.01 -0.96 -0.01 0.00 1.00 0.00 0.00 33.01 33.03 2vil s GLN 94 CO 0.06 0.21 -0.07 -1.01 -2.12 0.00 0.00 175.29 172.36 2vil s HIS 95 N -0.11 0.63 -0.31 0.91 3.76 -0.35 -4.93 115.29 114.88 2vil s HIS 95 Ca 0.02 -0.22 -0.17 0.00 -0.15 0.00 0.00 55.06 54.54 2vil s HIS 95 Cb -0.06 -0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.21 2vil s HIS 95 CO -0.00 -0.02 0.47 0.50 -0.85 0.00 0.00 174.74 174.83 2vil s ARG 96 N -0.56 3.81 0.18 1.40 3.00 -1.26 -2.11 118.95 123.41 2vil s ARG 96 Ca -0.01 -0.03 0.07 0.00 -1.00 0.00 0.00 55.73 54.77 2vil s ARG 96 Cb -0.05 -3.74 -0.04 0.00 0.00 0.00 0.00 34.95 31.12 2vil s ARG 96 CO 0.00 -0.48 -0.14 -1.21 0.00 0.00 0.00 175.30 173.47 2vil s GLU 97 N 2.26 1.22 0.21 5.12 0.41 -0.98 -4.82 118.70 122.13 2vil s GLU 97 Ca 0.18 -1.49 -0.06 0.00 -0.41 0.00 0.00 54.97 53.19 2vil s GLU 97 Cb -0.16 -0.99 0.02 0.00 -1.78 0.00 0.00 34.13 31.22 2vil s GLU 97 CO 0.11 0.17 0.38 0.28 -0.49 0.00 0.00 175.26 175.71 2vil n VAL 98 N -0.15 0.00 0.88 2.63 0.31 -1.26 -1.90 118.33 118.84 2vil n VAL 98 Ca -0.10 -0.73 0.08 0.00 -0.01 0.00 0.00 64.34 63.58 2vil n VAL 98 Cb 0.60 0.58 0.43 0.00 -0.91 0.00 0.00 33.84 34.54 2vil n VAL 98 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2vil n GLN 99 N -0.31 0.39 -0.31 5.55 0.00 -1.25 -2.44 117.38 119.02 2vil n GLN 99 Ca -0.03 0.05 0.00 0.00 -0.00 0.00 0.00 57.00 57.02 2vil n GLN 99 Cb 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.07 2vil n GLN 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2vil n GLY 100 N -0.02 -0.33 0.00 1.69 0.00 -1.26 -4.83 105.19 100.43 2vil n GLY 100 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2vil n GLY 100 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2vil n HIS 101 N 0.00 0.00 -0.02 1.61 8.25 -1.02 -4.60 115.22 119.44 2vil n HIS 101 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 2vil n HIS 101 Cb 0.59 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.89 2vil n HIS 101 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2vil n GLU 102 N -1.23 2.82 0.00 -0.41 0.00 -1.08 -4.55 120.64 116.19 2vil n GLU 102 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 57.16 55.53 2vil n GLU 102 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 31.44 29.58 2vil n GLU 102 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2vil n SER 103 N 0.22 0.00 0.12 -1.84 3.41 -1.26 -1.67 113.62 112.60 2vil n SER 103 Ca 0.17 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2vil n SER 103 Cb 0.81 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 65.04 2vil n SER 103 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2vil h GLU 104 N 0.00 0.17 0.87 4.33 4.11 -1.97 -2.73 114.58 119.37 2vil h GLU 104 Ca 0.00 -0.07 -0.04 0.00 0.07 0.00 0.00 59.36 59.32 2vil h GLU 104 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2vil h GLU 104 CO 0.00 0.52 -0.48 1.15 0.07 0.00 0.00 179.01 180.26 2vil h THR 105 N 0.15 0.03 0.47 -1.06 2.02 -1.87 0.55 112.91 113.20 2vil h THR 105 Ca 0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 2vil h THR 105 Cb 0.72 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2vil h THR 105 CO 0.05 0.00 -0.29 0.15 0.37 0.00 0.00 175.52 175.81 2vil h PHE 106 N -1.25 -0.75 -0.04 3.16 3.57 -1.36 0.13 116.94 120.40 2vil h PHE 106 Ca -0.12 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.38 2vil h PHE 106 Cb 0.99 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 2vil h PHE 106 CO -0.06 -0.44 0.28 -0.09 -2.23 0.00 0.00 178.31 175.77 2vil h ARG 107 N -0.72 0.00 0.15 1.11 2.43 -1.45 0.57 114.38 116.47 2vil h ARG 107 Ca -0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2vil h ARG 107 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2vil h ARG 107 CO 0.06 0.00 -0.07 0.00 -1.51 0.00 0.00 179.97 178.45 2vil h ALA 108 N 1.47 -0.20 0.00 2.80 0.00 0.29 -1.86 119.26 121.75 2vil h ALA 108 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2vil h ALA 108 Cb 0.58 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2vil h ALA 108 CO -0.00 -0.48 0.00 1.88 0.00 0.00 0.00 179.25 180.65 2vil h TYR 109 N -0.46 0.00 -3.64 0.00 0.05 -0.59 -3.36 116.97 108.97 2vil h TYR 109 Ca -0.02 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 58.11 2vil h TYR 109 Cb 0.36 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 37.71 2vil h TYR 109 CO 0.01 0.00 -0.73 -0.06 -1.05 0.00 0.00 178.16 176.33 2vil s PHE 110 N -3.64 3.49 -1.38 4.88 0.40 -0.70 -4.89 117.98 116.14 2vil s PHE 110 Ca -0.00 -2.81 -0.15 0.00 -0.60 0.00 0.00 56.93 53.37 2vil s PHE 110 Cb 0.09 -2.71 0.07 0.00 0.51 0.00 0.00 43.02 40.98 2vil s PHE 110 CO 0.39 -0.93 2.01 0.36 0.70 0.00 0.00 175.22 177.74 2vil n LYS 111 N 4.33 3.05 0.12 0.44 2.85 -1.23 -4.02 118.16 123.70 2vil n LYS 111 Ca 0.02 -2.95 0.00 0.00 -1.05 0.00 0.00 58.31 54.33 2vil n LYS 111 Cb 0.42 -3.31 0.00 0.00 -0.65 0.00 0.00 35.03 31.49 2vil n LYS 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2vil n GLN 112 N 6.59 0.00 0.00 -1.58 10.64 -1.26 -5.05 117.38 126.72 2vil n GLN 112 Ca 0.49 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.66 2vil n GLN 112 Cb 0.41 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.79 2vil n GLN 112 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2vil n GLY 113 N -1.26 0.18 1.61 2.61 0.00 -1.26 -5.11 105.19 101.97 2vil n GLY 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2vil n GLY 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vil n LEU 114 N 0.00 -4.54 -4.62 0.99 4.77 -1.26 -4.97 117.00 107.36 2vil n LEU 114 Ca 0.00 2.92 -0.25 0.00 -0.03 0.00 0.00 56.01 58.66 2vil n LEU 114 Cb 0.00 -2.75 -0.09 0.00 -2.33 0.00 0.00 43.42 38.25 2vil n LEU 114 CO 0.00 -0.19 -0.31 -0.63 -1.33 0.00 0.00 177.39 174.93 2vil s ILE 115 N -2.46 2.59 -0.26 -0.08 1.01 -0.79 -5.00 121.20 116.21 2vil s ILE 115 Ca 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 60.65 58.62 2vil s ILE 115 Cb 0.00 -2.79 0.10 0.00 0.01 0.00 0.00 42.46 39.78 2vil s ILE 115 CO 0.00 -0.20 0.15 -0.31 0.00 0.00 0.00 174.94 174.58 2vil s TYR 116 N -2.53 0.18 0.00 3.97 1.51 -1.26 -2.15 117.35 117.07 2vil s TYR 116 Ca 0.35 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 2vil s TYR 116 Cb 0.00 -0.79 0.00 0.00 -0.11 0.00 0.00 41.96 41.07 2vil s TYR 116 CO 0.19 -0.77 0.00 1.63 -1.11 0.00 0.00 175.55 175.49 2vil n LYS 117 N 5.27 0.19 -3.22 -0.62 4.76 -1.22 -4.43 118.16 118.88 2vil n LYS 117 Ca -0.06 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.99 2vil n LYS 117 Cb 0.44 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.57 2vil n LYS 117 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2vil s GLN 118 N -2.39 4.21 0.00 1.97 0.74 -1.26 -1.49 119.66 121.43 2vil s GLN 118 Ca 0.00 0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.87 2vil s GLN 118 Cb 0.00 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.55 2vil s GLN 118 CO 0.00 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.00 2vil n GLY 119 N 3.83 -2.90 2.54 2.59 0.00 -1.26 -4.68 105.19 105.31 2vil n GLY 119 Ca -0.04 -0.98 -0.03 0.00 0.00 0.00 0.00 46.02 44.97 2vil n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vil n GLY 120 N 0.00 -0.78 3.45 -0.02 0.00 -1.26 -4.93 105.19 101.64 2vil n GLY 120 Ca 0.00 0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.83 2vil n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vil s VAL 121 N -3.07 4.59 0.00 1.61 1.01 -1.26 -4.96 120.40 118.33 2vil s VAL 121 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2vil s VAL 121 Cb -0.01 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.86 2vil s VAL 121 CO 0.48 -1.14 0.53 0.00 0.00 0.00 0.00 175.10 174.97 2vil n ALA 122 N 6.95 -0.00 0.00 5.51 0.00 -1.26 -4.62 120.51 127.09 2vil n ALA 122 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2vil n ALA 122 Cb 0.45 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.15 2vil n ALA 122 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2vil n SER 123 N -1.08 0.00 0.00 0.00 7.64 -1.26 -4.99 113.62 113.94 2vil n SER 123 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2vil n SER 123 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2vil n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vil n GLY 124 N 0.00 3.04 0.00 0.23 0.00 -1.26 -4.68 105.19 102.52 2vil n GLY 124 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2vil n GLY 124 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2vil n MET 125 N 0.00 0.00 -0.09 1.61 2.81 -1.26 -5.34 117.12 114.85 2vil n MET 125 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2vil n MET 125 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 2vil n MET 125 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11