#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vee s SER 2 N 0.00 3.50 0.02 1.61 0.01 -1.26 -5.08 113.70 112.50 1vee s SER 2 Ca 0.00 1.65 -0.17 0.00 1.31 0.00 0.00 55.95 58.74 1vee s SER 2 Cb 0.00 -2.31 0.03 0.00 0.21 0.00 0.00 66.02 63.96 1vee s SER 2 CO 0.00 -2.64 0.37 -0.55 0.41 0.00 0.00 173.24 170.83 1vee s SER 3 N -3.28 -0.24 0.55 2.44 0.15 -1.26 -5.17 113.70 106.89 1vee s SER 3 Ca 0.64 0.03 -0.10 0.00 0.70 0.00 0.00 55.95 57.21 1vee s SER 3 Cb -0.19 0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 1vee s SER 3 CO 0.57 -0.58 0.94 -0.83 1.20 0.00 0.00 173.24 174.54 1vee s GLY 4 N -1.75 1.71 0.37 9.45 0.00 -1.26 -4.96 107.32 110.88 1vee s GLY 4 Ca -0.08 -0.16 -0.22 0.00 0.00 0.00 0.00 44.72 44.26 1vee s GLY 4 CO 0.00 0.08 0.91 -0.45 0.00 0.00 0.00 173.10 173.64 1vee s SER 5 N -3.88 7.06 0.27 1.64 0.15 -1.09 -4.97 113.70 112.87 1vee s SER 5 Ca 0.53 1.68 -0.07 0.00 0.70 0.00 0.00 55.95 58.79 1vee s SER 5 Cb -0.11 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 1vee s SER 5 CO 0.46 -0.22 0.41 -0.44 1.20 0.00 0.00 173.24 174.64 1vee s SER 6 N -1.97 0.32 0.00 5.45 0.01 -1.26 -1.19 113.70 115.06 1vee s SER 6 Ca 0.56 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1vee s SER 6 Cb -0.13 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1vee s SER 6 CO 0.17 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 173.30 1vee n GLY 7 N -0.42 -2.01 3.69 3.44 0.00 -1.03 -4.82 105.19 104.04 1vee n GLY 7 Ca 0.00 0.75 -0.05 0.00 0.00 0.00 0.00 46.02 46.73 1vee n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vee s SER 8 N -4.00 -0.22 0.26 1.61 0.15 -1.26 -4.26 113.70 105.98 1vee s SER 8 Ca 0.00 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.37 1vee s SER 8 Cb 0.00 0.47 0.35 0.00 -1.71 0.00 0.00 66.02 65.13 1vee s SER 8 CO 0.00 -0.84 1.66 0.00 1.20 0.00 0.00 173.24 175.26 1vee h ALA 9 N 2.00 1.01 -0.00 5.45 0.00 -1.82 -0.44 119.26 125.45 1vee h ALA 9 Ca -0.24 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 1vee h ALA 9 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1vee h ALA 9 CO 0.27 0.61 -0.00 0.87 0.00 0.00 0.00 179.25 180.99 1vee h LYS 10 N 0.35 0.00 -0.31 0.00 1.57 -1.89 -1.92 116.57 114.37 1vee h LYS 10 Ca 0.04 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1vee h LYS 10 Cb 0.82 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.07 1vee h LYS 10 CO 0.07 0.56 -0.13 -0.97 -0.57 0.00 0.00 179.45 178.41 1vee h ASN 11 N -0.55 -0.44 -0.02 0.86 -1.24 -1.91 -1.14 115.58 111.13 1vee h ASN 11 Ca 0.00 0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 1vee h ASN 11 Cb 0.56 0.25 -0.00 0.00 0.73 0.00 0.00 38.32 39.87 1vee h ASN 11 CO 0.00 -0.16 0.01 0.00 -1.29 0.00 0.00 177.43 175.99 1vee h ALA 12 N 1.19 0.02 -0.98 1.57 0.00 -1.11 0.14 119.26 120.08 1vee h ALA 12 Ca 0.16 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1vee h ALA 12 Cb 0.31 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1vee h ALA 12 CO -0.36 -0.43 0.64 -0.92 0.00 0.00 0.00 179.25 178.18 1vee h TYR 13 N -0.07 1.19 -0.16 0.00 3.20 -0.97 0.15 116.97 120.31 1vee h TYR 13 Ca 0.01 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 1vee h TYR 13 Cb 0.09 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 37.96 1vee h TYR 13 CO -0.05 0.65 -0.10 1.15 -1.64 0.00 0.00 178.16 178.18 1vee h THR 14 N 1.19 1.32 -0.75 1.81 2.02 -1.03 -2.95 112.91 114.52 1vee h THR 14 Ca 0.41 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 1vee h THR 14 Cb 0.10 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1vee h THR 14 CO -0.15 0.35 0.30 0.11 0.37 0.00 0.00 175.52 176.50 1vee h LYS 15 N 0.00 1.11 0.00 6.66 1.79 0.09 -1.80 116.57 124.42 1vee h LYS 15 Ca 0.03 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.30 1vee h LYS 15 Cb 0.59 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1vee h LYS 15 CO 0.03 0.90 -0.04 -0.07 -1.08 0.00 0.00 179.45 179.19 1vee h LEU 16 N 1.09 0.00 0.00 2.94 3.38 -0.71 -0.22 115.31 121.79 1vee h LEU 16 Ca 0.25 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 1vee h LEU 16 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1vee h LEU 16 CO -0.02 0.04 -1.11 1.23 0.09 0.00 0.00 178.44 178.67 1vee h GLY 17 N 0.38 0.00 0.43 0.83 0.00 -1.16 -3.35 103.07 100.20 1vee h GLY 17 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vee h GLY 17 CO 0.00 0.00 -1.03 -0.37 0.00 0.00 0.00 176.54 175.14 1vee n THR 18 N -2.83 0.08 -3.93 4.70 5.66 -0.58 -4.83 114.28 112.56 1vee n THR 18 Ca -0.04 -0.16 -0.35 0.00 -3.05 0.00 0.00 64.05 60.45 1vee n THR 18 Cb 0.69 0.42 -0.14 0.00 -1.55 0.00 0.00 70.33 69.76 1vee n THR 18 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1vee s ASP 19 N -3.58 4.65 0.30 1.09 -1.08 -0.20 -4.99 116.67 112.87 1vee s ASP 19 Ca 0.05 -1.08 0.01 0.00 -0.52 0.00 0.00 52.55 51.00 1vee s ASP 19 Cb 0.15 -1.70 0.49 0.00 -1.46 0.00 0.00 42.92 40.40 1vee s ASP 19 CO 0.82 -0.20 1.86 -0.78 0.52 0.00 0.00 175.17 177.38 1vee h ASP 20 N 8.01 0.67 1.36 -0.34 3.58 -1.88 -2.94 116.42 124.89 1vee h ASP 20 Ca -0.26 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1vee h ASP 20 Cb 1.08 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1vee h ASP 20 CO 0.55 0.67 -0.36 0.78 -2.88 0.00 0.00 179.24 178.01 1vee h ASN 21 N 0.70 0.00 -4.17 2.28 4.21 -1.94 -3.47 115.58 113.19 1vee h ASN 21 Ca 0.16 -0.06 -0.53 0.00 1.21 0.00 0.00 56.30 57.07 1vee h ASN 21 Cb 0.28 0.00 0.15 0.00 -1.12 0.00 0.00 38.32 37.63 1vee h ASN 21 CO -0.00 0.03 0.40 0.00 -1.29 0.00 0.00 177.43 176.57 1vee s ALA 22 N -3.20 2.17 0.14 -0.83 0.00 -1.11 -3.84 121.76 115.09 1vee s ALA 22 Ca 0.06 0.88 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 1vee s ALA 22 Cb 0.10 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.77 1vee s ALA 22 CO 0.69 -1.79 0.32 -0.65 0.00 0.00 0.00 175.76 174.33 1vee s GLN 23 N -3.87 1.08 0.14 0.00 -1.52 -0.33 -4.87 119.66 110.29 1vee s GLN 23 Ca 0.74 -0.94 0.03 0.00 -1.95 0.00 0.00 55.36 53.24 1vee s GLN 23 Cb -0.29 0.41 -0.04 0.00 -0.22 0.00 0.00 33.01 32.88 1vee s GLN 23 CO 0.44 -0.40 0.24 -1.17 -0.25 0.00 0.00 175.29 174.15 1vee s LEU 24 N -2.88 4.21 -0.26 2.90 0.20 -1.26 -1.20 118.68 120.38 1vee s LEU 24 Ca 0.09 0.11 -0.02 0.00 0.69 0.00 0.00 54.13 55.00 1vee s LEU 24 Cb 0.03 -2.79 0.08 0.00 -0.43 0.00 0.00 46.19 43.08 1vee s LEU 24 CO -0.07 0.07 0.08 -0.22 -0.29 0.00 0.00 176.35 175.92 1vee s LEU 25 N -3.10 1.52 -0.81 -0.68 2.96 0.25 -3.27 118.68 115.55 1vee s LEU 25 Ca 0.34 -1.26 -0.26 0.00 -0.22 0.00 0.00 54.13 52.73 1vee s LEU 25 Cb -0.11 -0.67 0.03 0.00 0.50 0.00 0.00 46.19 45.94 1vee s LEU 25 CO 0.27 -0.38 1.42 -1.81 -1.32 0.00 0.00 176.35 174.54 1vee s ASP 26 N 1.80 6.11 0.00 3.68 1.11 -0.69 -1.16 116.67 127.52 1vee s ASP 26 Ca 0.05 -0.67 0.28 0.00 0.18 0.00 0.00 52.55 52.40 1vee s ASP 26 Cb -0.17 -2.56 1.16 0.00 1.07 0.00 0.00 42.92 42.42 1vee s ASP 26 CO -0.21 -1.85 1.81 2.30 1.18 0.00 0.00 175.17 178.40 1vee n ILE 27 N 6.69 0.00 -1.21 0.77 -5.35 -0.88 -1.73 119.36 117.64 1vee n ILE 27 Ca 0.15 -0.17 -0.30 0.00 -0.27 0.00 0.00 62.75 62.16 1vee n ILE 27 Cb 0.50 0.26 0.12 0.00 -1.74 0.00 0.00 39.64 38.77 1vee n ILE 27 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1vee s ARG 28 N -2.13 1.70 0.22 6.28 0.52 -1.25 -2.54 118.95 121.75 1vee s ARG 28 Ca 0.36 1.00 -0.30 0.00 -0.52 0.00 0.00 55.73 56.28 1vee s ARG 28 Cb 0.21 -1.85 -0.10 0.00 0.52 0.00 0.00 34.95 33.74 1vee s ARG 28 CO 0.39 -1.98 1.41 0.00 0.02 0.00 0.00 175.30 175.14 1vee s ALA 29 N -2.91 3.61 0.64 2.13 0.00 -1.26 -4.17 121.76 119.80 1vee s ALA 29 Ca 0.62 1.25 0.24 0.00 0.00 0.00 0.00 51.96 54.08 1vee s ALA 29 Cb -0.18 -3.54 1.22 0.00 0.00 0.00 0.00 23.12 20.63 1vee s ALA 29 CO 0.57 -0.68 1.69 1.15 0.00 0.00 0.00 175.76 178.48 1vee h THR 30 N 3.70 0.10 -0.54 0.00 2.02 -1.96 0.11 112.91 116.34 1vee h THR 30 Ca -0.45 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.66 1vee h THR 30 Cb 1.21 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1vee h THR 30 CO 0.80 0.00 0.03 0.00 0.37 0.00 0.00 175.52 176.72 1vee h ALA 31 N 1.05 1.04 -0.95 6.16 0.00 -2.00 -3.09 119.26 121.47 1vee h ALA 31 Ca 0.11 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.86 1vee h ALA 31 Cb 1.27 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1vee h ALA 31 CO -0.00 0.60 0.59 0.22 0.00 0.00 0.00 179.25 180.66 1vee h ASP 32 N 0.84 0.87 -0.64 0.00 1.82 -1.30 -1.07 116.42 116.94 1vee h ASP 32 Ca 0.16 0.04 0.18 0.00 -0.39 0.00 0.00 57.03 57.03 1vee h ASP 32 Cb 0.45 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.30 1vee h ASP 32 CO 0.02 0.48 0.46 -0.26 -1.61 0.00 0.00 179.24 178.33 1vee h PHE 33 N 0.96 0.01 0.00 0.28 -1.00 -1.52 0.26 116.94 115.94 1vee h PHE 33 Ca 0.46 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.21 1vee h PHE 33 Cb 0.41 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1vee h PHE 33 CO -0.02 0.01 -1.77 0.54 -1.61 0.00 0.00 178.31 175.45 1vee n ARG 34 N -4.35 0.65 -0.08 1.51 1.74 -0.48 -3.96 116.66 111.69 1vee n ARG 34 Ca 0.12 -0.10 -0.08 0.00 -0.77 0.00 0.00 57.85 57.03 1vee n ARG 34 Cb 0.70 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 1vee n ARG 34 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1vee n GLN 35 N -2.41 0.48 -0.06 5.56 6.02 0.12 -4.80 117.38 122.28 1vee n GLN 35 Ca -0.05 0.19 -0.11 0.00 -0.01 0.00 0.00 57.00 57.02 1vee n GLN 35 Cb 0.62 -1.34 -0.15 0.00 1.02 0.00 0.00 30.24 30.38 1vee n GLN 35 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1vee n VAL 36 N -4.34 1.51 0.00 5.09 3.14 0.70 -4.68 118.33 119.75 1vee n VAL 36 Ca -0.13 -0.80 0.00 0.00 -2.96 0.00 0.00 64.34 60.46 1vee n VAL 36 Cb 0.47 -0.86 0.00 0.00 -1.06 0.00 0.00 33.84 32.39 1vee n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vee n GLY 37 N 1.74 -0.09 3.18 7.55 0.00 0.05 -4.37 105.19 113.25 1vee n GLY 37 Ca -0.28 -2.23 -0.09 0.00 0.00 0.00 0.00 46.02 43.42 1vee n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vee s SER 38 N -4.00 0.15 0.69 1.61 1.04 -0.72 -3.26 113.70 109.21 1vee s SER 38 Ca 0.00 -0.63 -0.13 0.00 0.48 0.00 0.00 55.95 55.67 1vee s SER 38 Cb 0.00 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1vee s SER 38 CO 0.00 -0.66 1.08 -2.16 0.98 0.00 0.00 173.24 172.48 1vee s PRO 39 N -3.51 2.74 -0.61 4.02 0.04 -1.26 -1.33 135.00 135.09 1vee s PRO 39 Ca 0.02 1.18 0.04 0.00 0.04 0.00 0.00 61.00 62.29 1vee s PRO 39 Cb 0.04 -1.96 0.16 0.00 0.04 0.00 0.00 34.50 32.78 1vee s PRO 39 CO -0.09 -1.27 0.40 0.54 0.04 0.00 0.00 177.00 176.62 1vee s ASN 40 N -3.17 4.33 0.00 6.66 6.03 -1.26 -4.76 114.94 122.77 1vee s ASN 40 Ca 0.62 -3.47 0.31 0.00 -1.03 0.00 0.00 52.86 49.30 1vee s ASN 40 Cb -0.17 -1.49 1.83 0.00 -3.03 0.00 0.00 41.25 38.38 1vee s ASN 40 CO 0.49 -0.15 2.17 2.30 -2.03 0.00 0.00 177.10 179.89 1vee n ILE 41 N 2.48 0.00 -0.33 0.54 -5.35 -1.26 -4.12 119.36 111.32 1vee n ILE 41 Ca 0.16 0.00 0.20 0.00 -0.27 0.00 0.00 62.75 62.84 1vee n ILE 41 Cb 0.35 -0.51 0.42 0.00 -1.74 0.00 0.00 39.64 38.16 1vee n ILE 41 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1vee h LYS 42 N 0.00 0.38 -0.09 6.28 2.10 -1.91 -0.00 116.57 123.32 1vee h LYS 42 Ca 0.00 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 1vee h LYS 42 Cb 0.03 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.27 1vee h LYS 42 CO 0.00 0.25 -0.04 0.78 -2.00 0.00 0.00 179.45 178.44 1vee h GLY 43 N 0.39 0.14 1.14 0.07 0.00 -1.89 -2.42 103.07 100.50 1vee h GLY 43 Ca 0.68 -0.07 -0.27 0.00 0.00 0.00 0.00 47.33 47.67 1vee h GLY 43 CO -0.57 0.06 -1.12 1.41 0.00 0.00 0.00 176.54 176.32 1vee h LEU 44 N 0.13 0.82 0.00 3.11 3.38 -1.32 -3.48 115.31 117.96 1vee h LEU 44 Ca 0.03 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1vee h LEU 44 Cb 0.16 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1vee h LEU 44 CO 0.01 1.55 0.00 0.61 0.09 0.00 0.00 178.44 180.70 1vee n GLY 45 N 1.34 1.08 3.31 0.83 0.00 -0.91 -5.00 105.19 105.83 1vee n GLY 45 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1vee n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vee n LYS 46 N 0.00 0.70 -4.26 1.61 4.76 -1.23 -5.01 118.16 114.73 1vee n LYS 46 Ca 0.00 -3.39 -0.17 0.00 -2.87 0.00 0.00 58.31 51.88 1vee n LYS 46 Cb 0.00 1.42 -0.13 0.00 -1.84 0.00 0.00 35.03 34.48 1vee n LYS 46 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1vee s LYS 47 N -3.59 0.70 0.98 1.97 2.47 -1.26 -3.50 119.74 117.51 1vee s LYS 47 Ca 0.11 -0.54 -0.12 0.00 -1.56 0.00 0.00 55.97 53.86 1vee s LYS 47 Cb 0.01 -0.64 0.18 0.00 -1.46 0.00 0.00 37.83 35.91 1vee s LYS 47 CO 0.08 0.16 1.08 0.00 0.16 0.00 0.00 175.35 176.83 1vee s ALA 48 N -0.67 0.97 -0.33 3.13 0.00 -1.26 -4.52 121.76 119.08 1vee s ALA 48 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 1vee s ALA 48 Cb -0.06 -3.19 0.13 0.00 0.00 0.00 0.00 23.12 20.00 1vee s ALA 48 CO 0.00 -2.81 0.19 0.08 0.00 0.00 0.00 175.76 173.22 1vee s VAL 49 N -2.85 0.03 -0.63 0.00 1.01 -1.20 -5.00 120.40 111.75 1vee s VAL 49 Ca 0.65 -1.33 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 1vee s VAL 49 Cb -0.20 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1vee s VAL 49 CO 0.59 -0.87 1.42 -0.94 0.00 0.00 0.00 175.10 175.29 1vee s SER 50 N 1.47 6.04 -0.30 3.32 1.04 -1.26 -1.70 113.70 122.30 1vee s SER 50 Ca 0.15 0.04 -0.03 0.00 0.48 0.00 0.00 55.95 56.59 1vee s SER 50 Cb -0.20 -2.55 0.11 0.00 0.10 0.00 0.00 66.02 63.48 1vee s SER 50 CO -0.13 -1.83 0.17 -0.89 0.98 0.00 0.00 173.24 171.54 1vee s THR 51 N 6.31 -0.12 0.06 2.02 2.01 -0.71 -4.99 115.64 120.23 1vee s THR 51 Ca 0.48 -0.80 -0.31 0.00 0.31 0.00 0.00 61.69 61.37 1vee s THR 51 Cb -0.10 -0.99 -0.08 0.00 0.01 0.00 0.00 72.50 71.35 1vee s THR 51 CO 0.21 -0.70 1.56 0.54 -0.69 0.00 0.00 174.62 175.54 1vee s VAL 52 N 2.04 3.19 0.52 3.82 0.11 -1.26 -3.99 120.40 124.83 1vee s VAL 52 Ca 0.10 0.67 -0.18 0.00 -2.93 0.00 0.00 61.98 59.64 1vee s VAL 52 Cb -0.16 -3.43 -0.07 0.00 -1.53 0.00 0.00 36.38 31.19 1vee s VAL 52 CO -0.32 0.01 1.03 -0.47 -3.33 0.00 0.00 175.10 172.02 1vee s TYR 53 N 2.33 3.10 -0.25 1.54 5.04 -1.05 -4.99 117.35 123.07 1vee s TYR 53 Ca 0.70 1.54 -0.06 0.00 -2.44 0.00 0.00 57.07 56.81 1vee s TYR 53 Cb -0.38 -2.98 0.13 0.00 0.35 0.00 0.00 41.96 39.08 1vee s TYR 53 CO 0.31 -0.78 0.51 1.21 -1.34 0.00 0.00 175.55 175.46 1vee s ASN 54 N -2.46 -0.64 0.60 4.32 2.47 -1.26 -5.01 114.94 112.96 1vee s ASN 54 Ca 0.64 1.02 0.33 0.00 0.42 0.00 0.00 52.86 55.27 1vee s ASN 54 Cb -0.14 1.75 1.91 0.00 -1.45 0.00 0.00 41.25 43.32 1vee s ASN 54 CO 0.27 -0.24 2.26 1.23 -3.72 0.00 0.00 177.10 176.90 1vee h GLY 55 N 8.09 0.00 1.37 1.21 0.00 -2.00 -0.80 103.07 110.94 1vee h GLY 55 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1vee h GLY 55 CO 0.17 0.00 -0.10 1.18 0.00 0.00 0.00 176.54 177.78 1vee n GLU 56 N -3.67 0.36 -0.81 4.80 -0.58 -1.26 -3.83 120.64 115.65 1vee n GLU 56 Ca -0.03 -0.08 0.06 0.00 -0.42 0.00 0.00 57.16 56.68 1vee n GLU 56 Cb 0.10 -1.50 0.15 0.00 -0.57 0.00 0.00 31.44 29.61 1vee n GLU 56 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1vee n ASP 57 N -1.25 1.50 -0.23 1.62 2.03 -0.32 -4.91 116.55 115.00 1vee n ASP 57 Ca 0.11 -3.26 -0.03 0.00 0.52 0.00 0.00 54.79 52.14 1vee n ASP 57 Cb 0.29 -0.45 0.04 0.00 -0.72 0.00 0.00 41.12 40.28 1vee n ASP 57 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1vee h LYS 58 N 0.90 -0.09 -0.45 -0.67 1.57 -1.63 0.37 116.57 116.57 1vee h LYS 58 Ca -0.06 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1vee h LYS 58 Cb 1.26 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 1vee h LYS 58 CO 0.03 -0.06 0.20 -1.00 -0.57 0.00 0.00 179.45 178.05 1vee h PRO 59 N -0.09 0.66 -0.61 3.15 0.13 -1.92 -0.63 132.00 132.68 1vee h PRO 59 Ca 0.28 -0.11 0.02 0.00 -0.87 0.00 0.00 66.00 65.32 1vee h PRO 59 Cb 0.54 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.52 1vee h PRO 59 CO -0.71 0.58 0.39 0.78 -0.23 0.00 0.00 178.00 178.81 1vee h GLY 60 N 0.58 0.87 0.92 1.56 0.00 -1.75 -0.03 103.07 105.22 1vee h GLY 60 Ca 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1vee h GLY 60 CO -0.02 0.27 -0.19 -2.75 0.00 0.00 0.00 176.54 173.86 1vee h PHE 61 N 0.78 -0.48 -0.76 5.60 3.04 -0.75 -3.02 116.94 121.34 1vee h PHE 61 Ca 0.24 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.30 1vee h PHE 61 Cb -0.03 0.16 -0.09 0.00 2.56 0.00 0.00 35.95 38.55 1vee h PHE 61 CO -0.04 -0.25 0.36 -0.07 -2.02 0.00 0.00 178.31 176.29 1vee h LEU 62 N -0.61 0.42 -0.22 0.59 3.38 -0.84 -1.96 115.31 116.08 1vee h LEU 62 Ca -0.05 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1vee h LEU 62 Cb 0.45 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1vee h LEU 62 CO 0.09 0.20 -0.09 0.11 0.09 0.00 0.00 178.44 178.84 1vee h LYS 63 N 0.56 -0.05 -0.43 1.13 1.57 -0.90 -0.87 116.57 117.58 1vee h LYS 63 Ca 0.40 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.31 1vee h LYS 63 Cb 0.53 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1vee h LYS 63 CO -0.34 -0.04 0.33 0.87 -0.57 0.00 0.00 179.45 179.71 1vee h LYS 64 N -0.06 0.00 0.00 3.15 1.57 -1.24 -0.58 116.57 119.41 1vee h LYS 64 Ca 0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1vee h LYS 64 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1vee h LYS 64 CO -0.26 0.00 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.48 1vee h LEU 65 N 0.00 0.00 -2.30 2.94 3.38 -1.21 -3.19 115.31 114.93 1vee h LEU 65 Ca 0.20 -0.80 0.04 0.00 0.09 0.00 0.00 57.88 57.41 1vee h LEU 65 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1vee h LEU 65 CO -0.00 0.94 0.21 -1.28 0.09 0.00 0.00 178.44 178.39 1vee h SER 66 N -1.00 0.00 0.03 -0.43 0.87 -0.58 0.20 113.55 112.64 1vee h SER 66 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1vee h SER 66 Cb 0.84 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1vee h SER 66 CO -0.01 0.00 -0.24 0.00 -0.53 0.00 0.00 176.83 176.05 1vee n LEU 67 N -3.46 2.04 -0.03 2.23 -0.00 -0.28 -4.48 117.00 113.02 1vee n LEU 67 Ca 0.00 -0.70 -0.05 0.00 -0.00 0.00 0.00 56.01 55.27 1vee n LEU 67 Cb 0.31 -0.02 -0.03 0.00 -0.00 0.00 0.00 43.42 43.68 1vee n LEU 67 CO 0.23 0.36 -0.70 2.29 -0.00 0.00 0.00 177.39 179.57 1vee n LYS 68 N 0.27 0.14 -2.82 1.47 -0.00 -0.19 -4.95 118.16 112.08 1vee n LYS 68 Ca 0.12 0.04 -0.43 0.00 -0.00 0.00 0.00 58.31 58.05 1vee n LYS 68 Cb 0.47 -1.02 -0.04 0.00 -0.00 0.00 0.00 35.03 34.44 1vee n LYS 68 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1vee s PHE 69 N -2.12 3.08 0.40 5.58 0.08 -0.12 -4.93 117.98 119.96 1vee s PHE 69 Ca -0.08 0.75 0.13 0.00 0.12 0.00 0.00 56.93 57.85 1vee s PHE 69 Cb 0.02 -3.62 0.83 0.00 -0.57 0.00 0.00 43.02 39.69 1vee s PHE 69 CO 0.13 -0.81 1.90 1.57 -0.10 0.00 0.00 175.22 177.91 1vee h LYS 70 N 8.47 0.04 -2.10 0.44 -0.00 -1.88 -3.34 116.57 118.20 1vee h LYS 70 Ca -0.23 -0.01 -0.58 0.00 -0.00 0.00 0.00 60.65 59.83 1vee h LYS 70 Cb 1.08 -0.00 -0.40 0.00 -0.00 0.00 0.00 32.23 32.90 1vee h LYS 70 CO 0.97 0.31 -0.86 -0.25 -0.00 0.00 0.00 179.45 179.62 1vee n ASP 71 N -4.21 1.90 -0.26 7.07 8.00 -1.26 -4.98 116.55 122.81 1vee n ASP 71 Ca -0.02 -3.05 -0.02 0.00 0.71 0.00 0.00 54.79 52.41 1vee n ASP 71 Cb 0.33 -0.65 0.10 0.00 -0.02 0.00 0.00 41.12 40.87 1vee n ASP 71 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1vee h PRO 72 N 4.10 0.82 0.00 -0.24 0.13 -1.89 -0.35 132.00 134.57 1vee h PRO 72 Ca 0.13 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1vee h PRO 72 Cb 0.77 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1vee h PRO 72 CO 0.64 0.54 0.00 -0.85 -0.23 0.00 0.00 178.00 178.10 1vee n GLU 73 N -4.68 0.09 0.00 0.86 0.00 -1.22 -1.70 120.64 113.99 1vee n GLU 73 Ca 0.09 0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.40 1vee n GLU 73 Cb 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.07 1vee n GLU 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1vee n ASN 74 N -1.18 2.54 -4.47 -1.84 3.02 -0.80 -3.77 115.26 108.77 1vee n ASN 74 Ca 0.02 -0.06 -0.43 0.00 -0.03 0.00 0.00 54.58 54.08 1vee n ASN 74 Cb 0.03 0.63 -0.05 0.00 -0.61 0.00 0.00 39.78 39.78 1vee n ASN 74 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1vee s THR 75 N -1.14 4.65 0.25 3.41 2.01 -0.21 -4.62 115.64 119.99 1vee s THR 75 Ca 0.00 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.46 1vee s THR 75 Cb 0.00 -4.43 -0.09 0.00 0.01 0.00 0.00 72.50 67.99 1vee s THR 75 CO 0.00 -0.99 1.20 -0.89 -0.69 0.00 0.00 174.62 173.25 1vee s THR 76 N 3.22 3.32 -0.51 -0.82 2.01 -1.25 -4.20 115.64 117.41 1vee s THR 76 Ca 0.21 1.22 -0.13 0.00 0.31 0.00 0.00 61.69 63.30 1vee s THR 76 Cb -0.17 -3.78 0.13 0.00 0.01 0.00 0.00 72.50 68.69 1vee s THR 76 CO 0.14 0.25 0.44 -0.76 -0.69 0.00 0.00 174.62 174.00 1vee s LEU 77 N -0.97 6.00 -0.74 4.42 1.43 -0.52 -1.18 118.68 127.12 1vee s LEU 77 Ca 0.50 -1.84 -0.26 0.00 -1.03 0.00 0.00 54.13 51.49 1vee s LEU 77 Cb -0.34 -2.13 0.04 0.00 0.03 0.00 0.00 46.19 43.78 1vee s LEU 77 CO 0.42 -0.79 1.25 -0.31 0.23 0.00 0.00 176.35 177.14 1vee s TYR 78 N 1.50 2.33 0.09 0.29 1.51 -0.34 -1.23 117.35 121.51 1vee s TYR 78 Ca 0.04 -0.13 -0.30 0.00 -1.01 0.00 0.00 57.07 55.67 1vee s TYR 78 Cb -0.28 -4.59 -0.05 0.00 -0.11 0.00 0.00 41.96 36.92 1vee s TYR 78 CO 0.02 -2.03 0.99 0.42 -1.11 0.00 0.00 175.55 173.84 1vee s ILE 79 N 5.52 4.51 -0.11 2.71 1.01 -0.60 -0.59 121.20 133.65 1vee s ILE 79 Ca 0.34 2.01 -0.00 0.00 0.00 0.00 0.00 60.65 62.99 1vee s ILE 79 Cb -0.09 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.12 1vee s ILE 79 CO 0.14 0.27 -0.08 -0.22 0.00 0.00 0.00 174.94 175.05 1vee s LEU 80 N 0.22 1.22 0.44 2.97 2.96 -0.31 -2.40 118.68 123.78 1vee s LEU 80 Ca 0.49 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 54.16 1vee s LEU 80 Cb -0.24 -0.82 -0.06 0.00 0.50 0.00 0.00 46.19 45.57 1vee s LEU 80 CO 0.30 -0.10 0.05 1.51 -1.32 0.00 0.00 176.35 176.78 1vee s ASP 81 N 1.59 4.04 0.20 3.68 1.47 -1.26 -2.08 116.67 124.32 1vee s ASP 81 Ca 0.03 -1.39 -0.06 0.00 1.18 0.00 0.00 52.55 52.31 1vee s ASP 81 Cb -0.13 -0.16 0.15 0.00 -0.34 0.00 0.00 42.92 42.44 1vee s ASP 81 CO -0.07 -0.58 1.63 0.07 0.68 0.00 0.00 175.17 176.90 1vee h LYS 82 N 1.59 0.86 0.00 2.11 -0.00 -1.93 0.25 116.57 119.45 1vee h LYS 82 Ca -0.44 -0.33 -0.11 0.00 -0.00 0.00 0.00 60.65 59.78 1vee h LYS 82 Cb 1.26 -0.05 -0.03 0.00 -0.00 0.00 0.00 32.23 33.41 1vee h LYS 82 CO 0.77 0.96 -0.08 1.19 -0.00 0.00 0.00 179.45 182.30 1vee n PHE 83 N -4.13 -0.64 -0.07 0.07 3.72 -1.26 -0.83 117.46 114.32 1vee n PHE 83 Ca 0.01 -0.82 -0.01 0.00 -0.05 0.00 0.00 57.45 56.58 1vee n PHE 83 Cb 0.41 0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1vee n PHE 83 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1vee n ASP 84 N -2.12 -0.12 0.00 4.37 5.68 -1.26 -4.26 116.55 118.83 1vee n ASP 84 Ca 0.01 0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.59 1vee n ASP 84 Cb 0.20 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1vee n ASP 84 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vee n GLY 85 N -1.07 0.74 0.00 6.12 0.00 -1.26 -3.29 105.19 106.43 1vee n GLY 85 Ca 0.01 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1vee n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vee n ASN 86 N 4.50 0.00 -0.30 1.61 3.02 -1.26 -4.96 115.26 117.87 1vee n ASN 86 Ca 0.00 -0.98 0.14 0.00 -0.03 0.00 0.00 54.58 53.71 1vee n ASN 86 Cb 0.00 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.47 1vee n ASN 86 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1vee h SER 87 N 0.00 -0.06 -0.97 6.41 4.64 -1.89 -0.23 113.55 121.44 1vee h SER 87 Ca 0.00 0.21 0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1vee h SER 87 Cb 0.49 0.30 -0.05 0.00 -0.31 0.00 0.00 62.40 62.83 1vee h SER 87 CO 0.00 -0.20 0.64 -0.33 -0.87 0.00 0.00 176.83 176.08 1vee h GLU 88 N 0.17 1.28 -0.01 4.77 5.08 -1.91 -0.60 114.58 123.36 1vee h GLU 88 Ca 0.56 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 1vee h GLU 88 Cb 1.16 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1vee h GLU 88 CO -0.70 0.85 -0.02 1.25 -1.00 0.00 0.00 179.01 179.40 1vee h LEU 89 N 1.32 0.03 -1.68 1.33 7.12 -1.53 -3.18 115.31 118.72 1vee h LEU 89 Ca 0.36 -0.58 0.09 0.00 0.13 0.00 0.00 57.88 57.88 1vee h LEU 89 Cb -0.15 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 39.94 1vee h LEU 89 CO -0.08 0.60 0.38 0.58 -0.13 0.00 0.00 178.44 179.80 1vee h VAL 90 N -0.54 0.90 0.00 1.05 2.07 -0.90 -0.58 116.25 118.24 1vee h VAL 90 Ca 0.00 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1vee h VAL 90 Cb 0.60 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1vee h VAL 90 CO 0.00 0.07 -0.07 0.00 0.02 0.00 0.00 177.57 177.59 1vee h ALA 91 N 1.71 1.88 0.13 1.67 0.00 -1.08 -2.00 119.26 121.57 1vee h ALA 91 Ca 0.26 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.81 1vee h ALA 91 Cb 0.53 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1vee h ALA 91 CO -0.07 0.08 -1.55 0.93 0.00 0.00 0.00 179.25 178.65 1vee h GLU 92 N 0.00 0.27 -0.03 0.00 5.08 -1.22 -3.29 114.58 115.38 1vee h GLU 92 Ca -0.00 -0.45 0.03 0.00 -1.00 0.00 0.00 59.36 57.93 1vee h GLU 92 Cb 0.12 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 1vee h GLU 92 CO 0.01 1.22 -0.51 1.25 -1.00 0.00 0.00 179.01 179.97 1vee h LEU 93 N -0.20 -1.59 -0.93 1.33 5.85 -0.98 0.27 115.31 119.05 1vee h LEU 93 Ca -0.33 0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 1vee h LEU 93 Cb 1.84 0.61 -0.02 0.00 0.37 0.00 0.00 40.66 43.46 1vee h LEU 93 CO 0.07 -0.50 0.11 -0.37 -0.34 0.00 0.00 178.44 177.41 1vee h VAL 94 N -0.64 1.24 0.15 1.05 -1.51 -1.58 -2.50 116.25 112.45 1vee h VAL 94 Ca 0.03 -0.90 -0.00 0.00 -1.23 0.00 0.00 66.70 64.59 1vee h VAL 94 Cb 0.70 0.69 -0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1vee h VAL 94 CO -0.37 0.33 -0.09 0.00 -1.23 0.00 0.00 177.57 176.22 1vee h ALA 95 N 1.27 -0.22 0.00 5.19 0.00 -1.48 -1.61 119.26 122.41 1vee h ALA 95 Ca 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1vee h ALA 95 Cb 0.35 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1vee h ALA 95 CO 0.00 -0.63 -0.09 -0.07 0.00 0.00 0.00 179.25 178.47 1vee h LEU 96 N -0.23 0.00 -0.70 0.00 -0.00 -0.88 -1.77 115.31 111.73 1vee h LEU 96 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.73 1vee h LEU 96 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 1vee h LEU 96 CO 0.02 0.09 -0.53 0.78 -0.00 0.00 0.00 178.44 178.81 1vee h ASN 97 N 0.00 0.36 0.00 -0.43 2.35 -0.94 -3.47 115.58 113.46 1vee h ASN 97 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1vee h ASN 97 Cb 0.17 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1vee h ASN 97 CO 0.01 0.82 0.00 0.61 -1.65 0.00 0.00 177.43 177.22 1vee n GLY 98 N 0.12 0.31 3.75 2.83 0.00 -0.67 -5.11 105.19 106.43 1vee n GLY 98 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1vee n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vee s PHE 99 N 0.00 2.25 0.12 1.61 0.40 -0.67 -3.38 117.98 118.31 1vee s PHE 99 Ca 0.00 1.37 -0.33 0.00 -0.60 0.00 0.00 56.93 57.37 1vee s PHE 99 Cb 0.00 -3.82 -0.12 0.00 0.51 0.00 0.00 43.02 39.59 1vee s PHE 99 CO 0.00 -2.97 1.54 -0.22 0.70 0.00 0.00 175.22 174.27 1vee h LYS 100 N 1.40 -0.47 -2.46 0.44 1.63 -1.42 -3.39 116.57 112.30 1vee h LYS 100 Ca -0.51 0.03 0.16 0.00 -0.85 0.00 0.00 60.65 59.48 1vee h LYS 100 Cb 1.30 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.99 1vee h LYS 100 CO 0.57 -0.32 0.52 -1.54 -3.45 0.00 0.00 179.45 175.24 1vee s SER 101 N -4.91 -0.08 0.02 4.20 1.04 -1.26 -5.00 113.70 107.72 1vee s SER 101 Ca -0.15 -0.58 -0.14 0.00 0.48 0.00 0.00 55.95 55.57 1vee s SER 101 Cb 0.08 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.73 1vee s SER 101 CO 0.60 -0.99 0.29 0.00 0.98 0.00 0.00 173.24 174.12 1vee s ALA 102 N -2.68 -0.68 -0.18 5.32 0.00 -1.26 -1.44 121.76 120.85 1vee s ALA 102 Ca 0.17 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.19 1vee s ALA 102 Cb -0.02 0.22 0.06 0.00 0.00 0.00 0.00 23.12 23.38 1vee s ALA 102 CO 0.04 -0.35 0.04 0.71 0.00 0.00 0.00 175.76 176.21 1vee s TYR 103 N -2.08 0.84 0.11 0.00 1.51 -0.36 -2.69 117.35 114.68 1vee s TYR 103 Ca -0.08 -0.68 -0.30 0.00 -1.01 0.00 0.00 57.07 55.00 1vee s TYR 103 Cb -0.03 -0.94 -0.06 0.00 -0.11 0.00 0.00 41.96 40.82 1vee s TYR 103 CO -0.00 -0.56 1.04 0.00 -1.11 0.00 0.00 175.55 174.91 1vee s ALA 104 N 1.92 3.29 -0.62 3.71 0.00 -0.33 -1.56 121.76 128.17 1vee s ALA 104 Ca 0.00 0.68 -0.25 0.00 0.00 0.00 0.00 51.96 52.39 1vee s ALA 104 Cb -0.16 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.67 1vee s ALA 104 CO -0.08 -0.16 1.07 0.42 0.00 0.00 0.00 175.76 177.01 1vee s ILE 105 N 0.20 4.15 0.32 0.00 1.09 -1.01 -2.46 121.20 123.49 1vee s ILE 105 Ca 0.50 0.28 -0.29 0.00 -1.10 0.00 0.00 60.65 60.04 1vee s ILE 105 Cb -0.26 -4.69 -0.12 0.00 -1.06 0.00 0.00 42.46 36.33 1vee s ILE 105 CO 0.31 -1.40 1.47 1.17 -0.10 0.00 0.00 174.94 176.39 1vee n LYS 106 N 8.13 2.47 -1.15 2.79 3.00 -1.26 -1.63 118.16 130.52 1vee n LYS 106 Ca 0.02 0.87 -0.05 0.00 -0.00 0.00 0.00 58.31 59.15 1vee n LYS 106 Cb 0.48 -2.58 -0.02 0.00 0.00 0.00 0.00 35.03 32.91 1vee n LYS 106 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1vee n ASP 107 N 1.36 -4.17 0.00 3.14 8.00 -1.26 -4.14 116.55 119.48 1vee n ASP 107 Ca 0.06 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1vee n ASP 107 Cb 0.36 -2.11 0.00 0.00 -0.02 0.00 0.00 41.12 39.36 1vee n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vee n GLY 108 N -1.63 1.57 0.08 0.44 0.00 -0.64 -1.52 105.19 103.49 1vee n GLY 108 Ca -0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 1vee n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vee n ALA 109 N 5.58 1.91 0.17 4.61 0.00 0.08 -1.22 120.51 131.64 1vee n ALA 109 Ca 0.00 -0.85 0.02 0.00 0.00 0.00 0.00 53.44 52.61 1vee n ALA 109 Cb 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 19.45 18.84 1vee n ALA 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vee n GLU 110 N -2.73 0.48 -0.64 0.00 1.02 -0.01 -1.53 120.64 117.24 1vee n GLU 110 Ca -0.18 -0.64 -0.27 0.00 -0.02 0.00 0.00 57.16 56.06 1vee n GLU 110 Cb 0.92 -1.02 0.24 0.00 -0.02 0.00 0.00 31.44 31.56 1vee n GLU 110 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vee n GLY 111 N 0.36 -3.21 0.43 0.62 0.00 -0.57 -4.77 105.19 98.04 1vee n GLY 111 Ca 0.02 -1.41 0.25 0.00 0.00 0.00 0.00 46.02 44.88 1vee n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee h PRO 112 N 0.00 0.00 0.00 1.61 0.13 -1.97 -1.84 132.00 129.93 1vee h PRO 112 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1vee h PRO 112 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1vee h PRO 112 CO 0.23 0.00 -0.07 2.89 -0.23 0.00 0.00 178.00 180.81 1vee n ARG 113 N -4.30 1.02 -0.38 0.86 1.85 -1.26 -4.85 116.66 109.59 1vee n ARG 113 Ca 0.15 -1.07 -0.29 0.00 -1.00 0.00 0.00 57.85 55.64 1vee n ARG 113 Cb 0.81 -0.75 0.27 0.00 -1.05 0.00 0.00 32.46 31.74 1vee n ARG 113 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1vee n GLY 114 N -0.29 -2.92 0.22 2.89 0.00 -0.69 -4.08 105.19 100.31 1vee n GLY 114 Ca 0.02 -1.37 -0.06 0.00 0.00 0.00 0.00 46.02 44.61 1vee n GLY 114 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1vee n TRP 115 N -5.32 -0.23 0.05 1.61 -0.00 -0.36 -0.65 117.44 112.54 1vee n TRP 115 Ca 0.07 0.66 -0.11 0.00 -0.00 0.00 0.00 57.50 58.11 1vee n TRP 115 Cb 0.56 -0.52 -0.06 0.00 -0.00 0.00 0.00 31.31 31.29 1vee n TRP 115 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1vee h LEU 116 N 0.00 -0.19 0.00 5.87 3.38 -1.55 -2.31 115.31 120.51 1vee h LEU 116 Ca 0.08 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1vee h LEU 116 Cb 0.22 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1vee h LEU 116 CO -0.50 -0.10 0.00 0.59 0.09 0.00 0.00 178.44 178.52 1vee n ASN 117 N -5.19 0.00 -1.12 -0.43 3.02 0.17 -3.04 115.26 108.68 1vee n ASN 117 Ca -0.06 -0.86 0.08 0.00 -0.03 0.00 0.00 54.58 53.71 1vee n ASN 117 Cb 0.11 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.55 1vee n ASN 117 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1vee n SER 118 N -0.84 3.93 -3.50 6.41 7.64 -0.23 -4.72 113.62 122.32 1vee n SER 118 Ca 0.10 -2.38 -0.20 0.00 1.01 0.00 0.00 58.87 57.41 1vee n SER 118 Cb 0.05 -0.45 0.09 0.00 -1.01 0.00 0.00 64.21 62.88 1vee n SER 118 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1vee n SER 119 N 0.64 -3.79 -4.53 6.43 2.88 -1.17 -4.86 113.62 109.23 1vee n SER 119 Ca 0.20 -0.59 -0.29 0.00 -1.33 0.00 0.00 58.87 56.87 1vee n SER 119 Cb 0.72 -5.09 -0.10 0.00 -0.75 0.00 0.00 64.21 58.98 1vee n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1vee s LEU 120 N -6.74 2.84 0.81 2.46 1.43 -1.21 -5.11 118.68 113.16 1vee s LEU 120 Ca 0.24 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 1vee s LEU 120 Cb -0.10 -1.63 0.08 0.00 0.03 0.00 0.00 46.19 44.56 1vee s LEU 120 CO 0.73 0.16 1.09 -2.16 0.23 0.00 0.00 176.35 176.40 1vee s PRO 121 N -2.34 2.00 -0.29 1.29 0.04 -1.26 -4.68 135.00 129.76 1vee s PRO 121 Ca 0.21 0.75 -0.15 0.00 0.04 0.00 0.00 61.00 61.85 1vee s PRO 121 Cb -0.10 -1.90 0.10 0.00 0.04 0.00 0.00 34.50 32.64 1vee s PRO 121 CO 0.12 -1.70 0.73 -0.46 0.04 0.00 0.00 177.00 175.73 1vee s TRP 122 N -3.08 -1.03 -1.03 0.56 -0.11 -1.26 -4.41 118.94 108.59 1vee s TRP 122 Ca 0.61 2.00 -0.23 0.00 1.22 0.00 0.00 56.10 59.70 1vee s TRP 122 Cb -0.15 0.62 -0.02 0.00 -1.50 0.00 0.00 33.47 32.41 1vee s TRP 122 CO 0.55 -0.51 1.80 0.42 -4.62 0.00 0.00 176.95 174.59 1vee s ILE 123 N 1.82 3.66 0.27 5.86 1.01 -0.44 -4.94 121.20 128.44 1vee s ILE 123 Ca -0.09 -0.74 -0.20 0.00 0.00 0.00 0.00 60.65 59.62 1vee s ILE 123 Cb -0.06 -4.51 -0.09 0.00 0.01 0.00 0.00 42.46 37.82 1vee s ILE 123 CO -0.19 -1.32 0.78 -1.61 0.00 0.00 0.00 174.94 172.60 1vee s GLU 124 N 6.10 4.25 0.71 2.79 2.02 -1.26 -1.76 118.70 131.55 1vee s GLU 124 Ca 0.62 0.91 -0.11 0.00 0.02 0.00 0.00 54.97 56.41 1vee s GLU 124 Cb -0.03 -2.73 0.02 0.00 0.10 0.00 0.00 34.13 31.49 1vee s GLU 124 CO 0.01 0.30 1.08 -1.25 0.02 0.00 0.00 175.26 175.42 1vee s PRO 125 N -2.28 2.81 -1.21 0.39 0.04 -1.26 -4.92 135.00 128.57 1vee s PRO 125 Ca 0.48 0.61 -0.19 0.00 0.04 0.00 0.00 61.00 61.93 1vee s PRO 125 Cb -0.15 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1vee s PRO 125 CO 0.20 -1.10 1.92 1.63 0.04 0.00 0.00 177.00 179.69 1vee n LYS 126 N -3.08 2.38 -3.38 4.56 4.76 -1.26 -4.69 118.16 117.46 1vee n LYS 126 Ca 0.07 -2.68 -0.13 0.00 -2.87 0.00 0.00 58.31 52.70 1vee n LYS 126 Cb 0.56 -3.43 -0.09 0.00 -1.84 0.00 0.00 35.03 30.23 1vee n LYS 126 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1vee s LYS 127 N 4.84 0.33 0.58 1.97 2.36 -1.26 -5.15 119.74 123.41 1vee s LYS 127 Ca 0.58 0.18 -0.20 0.00 -2.55 0.00 0.00 55.97 53.98 1vee s LYS 127 Cb 0.06 -0.61 -0.04 0.00 -1.05 0.00 0.00 37.83 36.19 1vee s LYS 127 CO 0.07 -0.85 1.24 0.99 1.55 0.00 0.00 175.35 178.35 1vee s THR 128 N 2.45 2.48 0.30 3.43 2.01 -1.26 -5.06 115.64 120.00 1vee s THR 128 Ca 0.10 0.31 0.06 0.00 0.31 0.00 0.00 61.69 62.47 1vee s THR 128 Cb -0.14 -3.13 -0.06 0.00 0.01 0.00 0.00 72.50 69.17 1vee s THR 128 CO -0.24 -0.05 -0.02 -0.94 -0.69 0.00 0.00 174.62 172.68 1vee s SER 129 N -1.43 2.77 0.00 3.53 1.04 -1.26 -5.08 113.70 113.27 1vee s SER 129 Ca 0.76 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1vee s SER 129 Cb -0.33 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.62 1vee s SER 129 CO 0.37 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1vee n GLY 130 N -0.65 -0.80 3.72 7.32 0.00 -1.26 -5.18 105.19 108.33 1vee n GLY 130 Ca -0.05 0.38 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1vee n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vee s PRO 131 N 0.00 -0.01 0.00 1.61 0.04 -1.26 -5.03 135.00 130.35 1vee s PRO 131 Ca 0.00 0.07 0.06 0.00 0.04 0.00 0.00 61.00 61.17 1vee s PRO 131 Cb 0.00 -1.73 0.11 0.00 0.04 0.00 0.00 34.50 32.92 1vee s PRO 131 CO 0.00 -2.93 0.92 -1.13 0.04 0.00 0.00 177.00 173.90 1vee n SER 132 N -4.23 -0.03 -4.14 6.66 3.41 -1.26 -5.03 113.62 108.99 1vee n SER 132 Ca 0.10 -1.75 -0.38 0.00 -0.26 0.00 0.00 58.87 56.58 1vee n SER 132 Cb 0.59 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 1vee n SER 132 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1vee s SER 133 N -1.00 6.00 0.00 4.04 1.04 -1.26 -5.41 113.70 117.11 1vee s SER 133 Ca 0.08 -3.41 0.00 0.00 0.48 0.00 0.00 55.95 53.10 1vee s SER 133 Cb 0.10 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.27 1vee s SER 133 CO -0.04 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.52