#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 0.68 -0.64 1.61 0.15 -1.26 -5.09 113.70 109.16 1vee s SER 2 Ca 0.00 -0.54 -0.26 0.00 0.70 0.00 0.00 55.95 55.85 1vee s SER 2 Cb 0.00 0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 1vee s SER 2 CO 0.00 -0.23 2.04 -0.94 1.20 0.00 0.00 173.24 175.31 1vee s SER 3 N -1.55 4.96 0.11 5.45 1.04 -1.26 -4.81 113.70 117.64 1vee s SER 3 Ca -0.12 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1vee s SER 3 Cb -0.10 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1vee s SER 3 CO -0.00 -2.65 0.00 0.61 0.98 0.00 0.00 173.24 172.18 1vee n GLY 4 N 6.02 2.12 3.52 7.32 0.00 -1.26 -4.54 105.19 118.36 1vee n GLY 4 Ca 0.29 0.39 -0.14 0.00 0.00 0.00 0.00 46.02 46.55 1vee n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vee s SER 5 N -4.00 -0.64 0.36 1.61 0.15 -1.25 -5.01 113.70 104.92 1vee s SER 5 Ca 0.00 1.12 -0.04 0.00 0.70 0.00 0.00 55.95 57.73 1vee s SER 5 Cb 0.00 1.11 0.01 0.00 -1.71 0.00 0.00 66.02 65.43 1vee s SER 5 CO 0.00 -0.30 0.53 -0.94 1.20 0.00 0.00 173.24 173.73 1vee s SER 6 N -0.02 0.87 0.00 5.45 1.04 -1.26 -1.08 113.70 118.70 1vee s SER 6 Ca -0.03 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 54.93 1vee s SER 6 Cb -0.04 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1vee s SER 6 CO 0.03 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.48 1vee n GLY 7 N -0.58 -2.35 3.59 7.32 0.00 -1.22 -4.89 105.19 107.06 1vee n GLY 7 Ca -0.00 0.81 0.01 0.00 0.00 0.00 0.00 46.02 46.84 1vee n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee s SER 8 N 2.00 -0.03 0.05 1.61 0.01 -1.26 -4.74 113.70 111.33 1vee s SER 8 Ca 0.00 -0.04 -0.26 0.00 1.31 0.00 0.00 55.95 56.96 1vee s SER 8 Cb 0.00 0.07 -0.17 0.00 0.21 0.00 0.00 66.02 66.13 1vee s SER 8 CO 0.00 -0.12 1.50 0.00 0.41 0.00 0.00 173.24 175.03 1vee h ALA 9 N 2.00 -0.31 -0.07 1.44 0.00 -1.81 -0.49 119.26 120.03 1vee h ALA 9 Ca -0.25 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1vee h ALA 9 Cb 1.18 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1vee h ALA 9 CO 0.27 -0.59 -0.15 0.87 0.00 0.00 0.00 179.25 179.65 1vee h LYS 10 N -0.48 -0.21 -0.10 0.00 1.57 -1.87 -0.07 116.57 115.41 1vee h LYS 10 Ca -0.03 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1vee h LYS 10 Cb 0.36 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1vee h LYS 10 CO 0.05 -0.14 -0.13 -0.97 -0.57 0.00 0.00 179.45 177.70 1vee h ASN 11 N -0.22 -0.39 -0.43 0.86 -1.24 -1.94 -2.61 115.58 109.62 1vee h ASN 11 Ca 0.07 0.07 0.05 0.00 0.71 0.00 0.00 56.30 57.21 1vee h ASN 11 Cb 0.32 0.19 -0.05 0.00 0.73 0.00 0.00 38.32 39.50 1vee h ASN 11 CO -0.20 -0.17 0.14 0.00 -1.29 0.00 0.00 177.43 175.92 1vee h ALA 12 N 0.89 0.50 -0.20 1.57 0.00 -0.62 -1.79 119.26 119.61 1vee h ALA 12 Ca 0.08 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1vee h ALA 12 Cb 0.28 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1vee h ALA 12 CO -0.20 -0.25 -0.18 -0.92 0.00 0.00 0.00 179.25 177.70 1vee h TYR 13 N 0.30 -0.47 -0.27 0.00 3.20 -0.65 -0.34 116.97 118.74 1vee h TYR 13 Ca 0.20 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.97 1vee h TYR 13 Cb 0.20 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1vee h TYR 13 CO -0.16 -0.26 -0.36 1.15 -1.64 0.00 0.00 178.16 176.89 1vee h THR 14 N -0.20 1.29 -0.98 1.81 2.02 -1.31 -2.00 112.91 113.53 1vee h THR 14 Ca 0.12 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1vee h THR 14 Cb 0.38 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 1vee h THR 14 CO -0.32 0.48 0.63 0.11 0.37 0.00 0.00 175.52 176.79 1vee h LYS 15 N 0.50 1.31 -0.67 6.66 1.79 -0.72 -0.44 116.57 124.99 1vee h LYS 15 Ca 0.05 -0.10 -0.06 0.00 -2.18 0.00 0.00 60.65 58.37 1vee h LYS 15 Cb 0.86 -0.29 -0.03 0.00 -1.58 0.00 0.00 32.23 31.19 1vee h LYS 15 CO 0.07 0.89 0.20 -0.07 -1.08 0.00 0.00 179.45 179.46 1vee h LEU 16 N 1.34 0.97 0.00 2.94 3.38 -0.79 -1.57 115.31 121.59 1vee h LEU 16 Ca 0.36 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1vee h LEU 16 Cb -0.11 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.38 1vee h LEU 16 CO -0.07 0.92 0.00 0.61 0.09 0.00 0.00 178.44 179.98 1vee n GLY 17 N -0.80 -0.58 0.00 0.83 0.00 -0.24 -3.13 105.19 101.27 1vee n GLY 17 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1vee n GLY 17 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1vee n THR 18 N -0.97 0.00 -3.94 2.61 5.66 -0.77 -4.98 114.28 111.88 1vee n THR 18 Ca 0.13 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.80 1vee n THR 18 Cb 0.06 0.23 -0.14 0.00 -1.55 0.00 0.00 70.33 68.93 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 -1.34 4.89 0.58 1.09 2.15 -0.63 -4.97 116.67 118.43 1vee s ASP 19 Ca 0.00 -1.88 0.28 0.00 0.43 0.00 0.00 52.55 51.38 1vee s ASP 19 Cb 0.00 -1.69 1.63 0.00 -0.30 0.00 0.00 42.92 42.57 1vee s ASP 19 CO 0.00 -0.38 2.13 0.44 -0.17 0.00 0.00 175.17 177.18 1vee h ASP 20 N 7.82 0.00 0.82 -0.34 3.32 -1.89 -0.21 116.42 125.94 1vee h ASP 20 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1vee h ASP 20 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1vee h ASP 20 CO 0.57 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.68 1vee n ASN 21 N -3.92 0.48 -4.86 6.45 4.13 -1.26 -4.78 115.26 111.50 1vee n ASN 21 Ca 0.01 0.60 -0.34 0.00 1.68 0.00 0.00 54.58 56.53 1vee n ASN 21 Cb 0.28 -0.71 -0.06 0.00 -1.54 0.00 0.00 39.78 37.76 1vee n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vee s ALA 22 N -3.18 3.58 0.17 5.41 0.00 -0.09 -0.78 121.76 126.87 1vee s ALA 22 Ca 0.07 -0.20 -0.09 0.00 0.00 0.00 0.00 51.96 51.74 1vee s ALA 22 Cb 0.11 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 1vee s ALA 22 CO 0.41 0.48 0.30 -0.65 0.00 0.00 0.00 175.76 176.30 1vee s GLN 23 N -2.24 1.19 -0.04 0.00 -1.52 -0.49 -4.89 119.66 111.67 1vee s GLN 23 Ca 0.41 -1.17 -0.02 0.00 -1.95 0.00 0.00 55.36 52.63 1vee s GLN 23 Cb -0.14 0.39 -0.04 0.00 -0.22 0.00 0.00 33.01 33.00 1vee s GLN 23 CO 0.20 -0.44 0.08 -1.17 -0.25 0.00 0.00 175.29 173.71 1vee s LEU 24 N -2.97 3.94 -0.33 2.90 0.20 -1.26 -1.42 118.68 119.74 1vee s LEU 24 Ca 0.17 0.20 -0.00 0.00 0.69 0.00 0.00 54.13 55.20 1vee s LEU 24 Cb 0.03 -2.18 0.11 0.00 -0.43 0.00 0.00 46.19 43.71 1vee s LEU 24 CO 0.01 0.31 0.12 -0.22 -0.29 0.00 0.00 176.35 176.27 1vee s LEU 25 N -1.50 2.37 -0.36 -0.68 2.96 0.27 -1.78 118.68 119.96 1vee s LEU 25 Ca 0.20 -1.80 -0.29 0.00 -0.22 0.00 0.00 54.13 52.02 1vee s LEU 25 Cb -0.12 -0.91 0.02 0.00 0.50 0.00 0.00 46.19 45.68 1vee s LEU 25 CO 0.11 -0.39 1.18 -0.62 -1.32 0.00 0.00 176.35 175.31 1vee s ASP 26 N 1.41 6.73 -0.07 3.68 -1.08 -0.40 -1.82 116.67 125.12 1vee s ASP 26 Ca 0.11 0.92 0.17 0.00 -0.52 0.00 0.00 52.55 53.23 1vee s ASP 26 Cb -0.18 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 39.33 1vee s ASP 26 CO -0.21 -1.08 1.51 2.30 0.52 0.00 0.00 175.17 178.22 1vee n ILE 27 N 6.32 1.55 -1.46 4.11 -5.35 -0.56 -0.94 119.36 123.02 1vee n ILE 27 Ca 0.13 -1.19 -0.30 0.00 -0.27 0.00 0.00 62.75 61.12 1vee n ILE 27 Cb 0.48 0.24 0.11 0.00 -1.74 0.00 0.00 39.64 38.73 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 -1.61 1.61 0.21 6.28 0.52 -1.25 -2.65 118.95 122.07 1vee s ARG 28 Ca 0.44 0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 55.93 1vee s ARG 28 Cb 0.27 -1.87 -0.09 0.00 0.52 0.00 0.00 34.95 33.78 1vee s ARG 28 CO 0.23 -1.93 1.37 0.00 0.02 0.00 0.00 175.30 174.99 1vee s ALA 29 N -3.13 3.58 0.57 2.13 0.00 -1.26 -4.05 121.76 119.59 1vee s ALA 29 Ca 0.62 1.20 0.28 0.00 0.00 0.00 0.00 51.96 54.06 1vee s ALA 29 Cb -0.15 -3.52 1.52 0.00 0.00 0.00 0.00 23.12 20.97 1vee s ALA 29 CO 0.55 -0.63 2.00 1.15 0.00 0.00 0.00 175.76 178.83 1vee h THR 30 N 3.69 0.51 -0.72 0.00 2.02 -2.00 -1.06 112.91 115.34 1vee h THR 30 Ca -0.45 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1vee h THR 30 Cb 1.22 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 1vee h THR 30 CO 0.78 0.00 0.34 0.00 0.37 0.00 0.00 175.52 177.01 1vee h ALA 31 N 1.65 1.25 0.00 6.16 0.00 -2.02 -2.37 119.26 123.93 1vee h ALA 31 Ca 0.18 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1vee h ALA 31 Cb 0.88 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1vee h ALA 31 CO -0.00 0.58 -0.40 -0.44 0.00 0.00 0.00 179.25 178.98 1vee h ASP 32 N 1.02 0.00 -0.06 0.00 3.32 -1.57 -2.40 116.42 116.74 1vee h ASP 32 Ca 0.25 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.32 1vee h ASP 32 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1vee h ASP 32 CO -0.03 0.40 0.05 -0.26 -1.72 0.00 0.00 179.24 177.68 1vee h PHE 33 N 0.00 0.00 0.17 4.55 -1.00 -1.45 0.76 116.94 119.97 1vee h PHE 33 Ca -0.00 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.43 1vee h PHE 33 Cb 0.88 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.44 1vee h PHE 33 CO 0.00 0.00 -1.72 0.00 -1.61 0.00 0.00 178.31 174.98 1vee h ARG 34 N 0.00 0.35 0.01 1.51 3.08 -1.47 -2.53 114.38 115.33 1vee h ARG 34 Ca 0.03 -0.60 -0.00 0.00 0.07 0.00 0.00 59.98 59.47 1vee h ARG 34 Cb 0.12 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1vee h ARG 34 CO -0.00 1.26 -0.00 1.96 -1.07 0.00 0.00 179.97 182.11 1vee h GLN 35 N 0.10 -0.01 0.00 0.04 4.20 -0.99 -3.40 115.11 115.05 1vee h GLN 35 Ca -0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.38 1vee h GLN 35 Cb 2.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.86 1vee h GLN 35 CO 0.17 0.43 -0.44 1.55 -0.67 0.00 0.00 178.83 179.86 1vee n VAL 36 N -4.88 0.00 -0.60 -0.54 3.14 0.17 -4.80 118.33 110.83 1vee n VAL 36 Ca -0.08 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 1vee n VAL 36 Cb 0.23 0.86 0.00 0.00 -1.06 0.00 0.00 33.84 33.87 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 1.37 -0.46 3.17 7.55 0.00 -0.95 -4.15 105.19 111.72 1vee n GLY 37 Ca 0.00 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.18 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 0.26 0.71 1.61 1.04 -0.77 -4.24 113.70 108.32 1vee s SER 38 Ca 0.00 -0.87 -0.13 0.00 0.48 0.00 0.00 55.95 55.43 1vee s SER 38 Cb 0.00 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.44 1vee s SER 38 CO 0.00 -0.70 1.09 -2.16 0.98 0.00 0.00 173.24 172.45 1vee s PRO 39 N -3.92 2.58 -0.51 4.02 0.04 -1.26 -1.58 135.00 134.36 1vee s PRO 39 Ca 0.10 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.41 1vee s PRO 39 Cb 0.06 -1.93 0.14 0.00 0.04 0.00 0.00 34.50 32.81 1vee s PRO 39 CO -0.08 -1.40 0.30 0.54 0.04 0.00 0.00 177.00 176.40 1vee s ASN 40 N -3.07 3.96 0.00 6.66 6.03 -1.26 -4.76 114.94 122.49 1vee s ASN 40 Ca 0.63 -3.02 0.13 0.00 -1.03 0.00 0.00 52.86 49.57 1vee s ASN 40 Cb -0.18 -1.32 0.75 0.00 -3.03 0.00 0.00 41.25 37.47 1vee s ASN 40 CO 0.49 -0.21 1.38 2.30 -2.03 0.00 0.00 177.10 179.02 1vee n ILE 41 N 3.05 0.00 0.28 0.54 -5.35 -1.26 -3.76 119.36 112.86 1vee n ILE 41 Ca 0.11 0.00 0.17 0.00 -0.27 0.00 0.00 62.75 62.75 1vee n ILE 41 Cb 0.35 -0.29 0.93 0.00 -1.74 0.00 0.00 39.64 38.88 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 0.00 -0.08 6.28 2.10 -1.88 -1.54 116.57 121.46 1vee h LYS 42 Ca 0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 1vee h LYS 42 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1vee h LYS 42 CO 0.00 0.00 0.07 0.78 -2.00 0.00 0.00 179.45 178.30 1vee h GLY 43 N 0.00 0.00 0.00 0.07 0.00 -1.88 -1.69 103.07 99.58 1vee h GLY 43 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.19 1vee h GLY 43 CO -0.00 0.00 -0.93 1.41 0.00 0.00 0.00 176.54 177.02 1vee h LEU 44 N 0.00 0.00 0.00 3.11 3.38 -1.61 -3.49 115.31 116.70 1vee h LEU 44 Ca 0.04 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1vee h LEU 44 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1vee h LEU 44 CO -0.00 1.33 0.00 0.61 0.09 0.00 0.00 178.44 180.47 1vee n GLY 45 N 1.49 -0.63 3.95 0.83 0.00 -0.63 -5.04 105.19 105.14 1vee n GLY 45 Ca -0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.34 -3.80 1.61 4.76 -1.18 -4.89 118.16 114.32 1vee n LYS 46 Ca 0.00 -2.65 -0.14 0.00 -2.87 0.00 0.00 58.31 52.65 1vee n LYS 46 Cb 0.00 -0.80 -0.15 0.00 -1.84 0.00 0.00 35.03 32.24 1vee n LYS 46 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1vee s LYS 47 N -5.30 0.03 0.92 1.97 -2.85 -1.26 -2.95 119.74 110.30 1vee s LYS 47 Ca 0.69 0.18 -0.15 0.00 -1.00 0.00 0.00 55.97 55.70 1vee s LYS 47 Cb -0.04 -0.13 0.16 0.00 -2.06 0.00 0.00 37.83 35.77 1vee s LYS 47 CO 0.46 -0.11 1.26 0.00 0.10 0.00 0.00 175.35 177.07 1vee s ALA 48 N 0.69 2.27 -0.02 0.59 0.00 -1.26 -4.59 121.76 119.44 1vee s ALA 48 Ca -0.06 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 50.96 1vee s ALA 48 Cb -0.08 -2.85 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 1vee s ALA 48 CO -0.02 -2.25 -0.15 0.08 0.00 0.00 0.00 175.76 173.41 1vee s VAL 49 N -3.73 1.23 -0.29 0.00 1.01 -0.73 -4.99 120.40 112.90 1vee s VAL 49 Ca 0.70 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1vee s VAL 49 Cb -0.07 -1.04 0.05 0.00 0.00 0.00 0.00 36.38 35.32 1vee s VAL 49 CO 0.52 0.35 -0.03 -0.94 0.00 0.00 0.00 175.10 175.01 1vee s SER 50 N -0.20 4.77 -0.26 3.32 1.04 -1.26 -1.28 113.70 119.84 1vee s SER 50 Ca 0.02 -1.27 -0.03 0.00 0.48 0.00 0.00 55.95 55.15 1vee s SER 50 Cb -0.08 -1.68 0.10 0.00 0.10 0.00 0.00 66.02 64.47 1vee s SER 50 CO 0.00 -0.24 0.17 -0.89 0.98 0.00 0.00 173.24 173.27 1vee s THR 51 N 1.23 -0.19 0.08 2.02 2.01 -0.12 -4.99 115.64 115.68 1vee s THR 51 Ca -0.06 -0.50 -0.32 0.00 0.31 0.00 0.00 61.69 61.12 1vee s THR 51 Cb -0.20 -0.87 -0.11 0.00 0.01 0.00 0.00 72.50 71.33 1vee s THR 51 CO -0.02 -0.52 1.82 0.55 -0.69 0.00 0.00 174.62 175.76 1vee n VAL 52 N 5.28 0.39 -2.66 3.82 3.14 -1.26 -4.14 118.33 122.90 1vee n VAL 52 Ca -0.05 -0.07 -0.43 0.00 -2.96 0.00 0.00 64.34 60.83 1vee n VAL 52 Cb 0.45 -2.00 -0.02 0.00 -1.06 0.00 0.00 33.84 31.21 1vee n VAL 52 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1vee s TYR 53 N 2.86 3.40 -0.10 1.45 5.04 -1.09 -4.99 117.35 123.92 1vee s TYR 53 Ca 0.84 1.51 -0.00 0.00 -2.44 0.00 0.00 57.07 56.97 1vee s TYR 53 Cb -0.55 -3.24 0.02 0.00 0.35 0.00 0.00 41.96 38.54 1vee s TYR 53 CO 0.41 -0.42 -0.07 0.54 -1.34 0.00 0.00 175.55 174.67 1vee s ASN 54 N 1.18 1.97 0.36 4.32 4.22 -1.26 -5.02 114.94 120.71 1vee s ASN 54 Ca 0.46 -0.26 0.24 0.00 -2.14 0.00 0.00 52.86 51.17 1vee s ASN 54 Cb -0.17 -0.75 1.31 0.00 1.28 0.00 0.00 41.25 42.92 1vee s ASN 54 CO 0.12 -0.11 1.74 1.23 -2.04 0.00 0.00 177.10 178.04 1vee h GLY 55 N 8.02 0.00 2.00 0.45 0.00 -1.99 -1.66 103.07 109.89 1vee h GLY 55 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1vee h GLY 55 CO 0.39 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.76 1vee h GLU 56 N 0.00 0.00 -2.10 4.80 5.08 -2.02 -3.35 114.58 117.00 1vee h GLU 56 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 1vee h GLU 56 Cb 0.01 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.85 1vee h GLU 56 CO 0.00 0.00 -0.92 -0.25 -1.00 0.00 0.00 179.01 176.84 1vee n ASP 57 N -2.74 1.96 0.36 1.42 9.92 -0.62 -4.97 116.55 121.88 1vee n ASP 57 Ca 0.03 -3.12 -0.18 0.00 -0.53 0.00 0.00 54.79 50.98 1vee n ASP 57 Cb 0.37 -0.63 -0.09 0.00 -0.64 0.00 0.00 41.12 40.12 1vee n ASP 57 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1vee h LYS 58 N 3.68 -1.00 -0.11 -1.24 1.57 -1.71 0.16 116.57 117.91 1vee h LYS 58 Ca 0.12 0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.81 1vee h LYS 58 Cb 0.78 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1vee h LYS 58 CO 0.63 -0.67 -0.61 -1.00 -0.57 0.00 0.00 179.45 177.22 1vee h PRO 59 N -1.04 0.40 -0.10 3.15 0.13 -1.95 -2.57 132.00 130.02 1vee h PRO 59 Ca -0.08 -0.28 0.03 0.00 -0.87 0.00 0.00 66.00 64.80 1vee h PRO 59 Cb 0.85 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1vee h PRO 59 CO 0.06 0.89 0.08 0.78 -0.23 0.00 0.00 178.00 179.58 1vee h GLY 60 N 1.27 0.00 0.00 1.56 0.00 -1.89 0.64 103.07 104.64 1vee h GLY 60 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1vee h GLY 60 CO 0.10 0.00 -0.07 -2.75 0.00 0.00 0.00 176.54 173.82 1vee h PHE 61 N 0.00 0.00 -0.55 5.60 3.57 -0.53 -3.36 116.94 121.67 1vee h PHE 61 Ca 0.05 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.66 1vee h PHE 61 Cb 0.21 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.84 1vee h PHE 61 CO 0.00 0.42 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.28 1vee h LEU 62 N -1.00 -0.56 -1.70 0.59 3.38 -1.02 -1.66 115.31 113.34 1vee h LEU 62 Ca -0.01 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.25 1vee h LEU 62 Cb 0.44 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1vee h LEU 62 CO -0.01 -0.20 0.42 0.07 0.09 0.00 0.00 178.44 178.81 1vee h LYS 63 N -0.02 0.31 0.00 1.13 2.10 -1.07 0.11 116.57 119.14 1vee h LYS 63 Ca 0.26 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.87 1vee h LYS 63 Cb 0.42 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1vee h LYS 63 CO -0.58 0.20 -0.14 0.87 -2.00 0.00 0.00 179.45 177.81 1vee h LYS 64 N 0.32 0.00 0.07 0.07 1.57 -1.44 0.02 116.57 117.18 1vee h LYS 64 Ca 0.29 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.83 1vee h LYS 64 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1vee h LYS 64 CO -0.07 0.14 -1.29 -0.07 -0.57 0.00 0.00 179.45 177.58 1vee h LEU 65 N 0.00 0.23 -1.65 2.94 -0.00 -1.10 -3.37 115.31 112.36 1vee h LEU 65 Ca -0.00 -0.77 0.16 0.00 -0.00 0.00 0.00 57.88 57.27 1vee h LEU 65 Cb 0.27 -0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 40.81 1vee h LEU 65 CO 0.02 1.55 0.50 -1.28 -0.00 0.00 0.00 178.44 179.23 1vee h SER 66 N -0.55 0.32 0.53 -0.43 0.87 -0.88 -0.14 113.55 113.27 1vee h SER 66 Ca -0.30 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1vee h SER 66 Cb 1.57 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 1vee h SER 66 CO -0.03 0.16 0.00 0.00 -0.53 0.00 0.00 176.83 176.43 1vee n LEU 67 N -4.46 0.00 -0.02 2.23 -0.00 -0.04 -3.97 117.00 110.74 1vee n LEU 67 Ca 0.14 0.31 -0.03 0.00 -0.00 0.00 0.00 56.01 56.43 1vee n LEU 67 Cb 0.58 -0.31 -0.02 0.00 -0.00 0.00 0.00 43.42 43.67 1vee n LEU 67 CO 0.33 -0.04 -0.64 2.29 -0.00 0.00 0.00 177.39 179.33 1vee n LYS 68 N -1.31 0.31 -2.66 1.47 -0.00 -0.16 -4.99 118.16 110.81 1vee n LYS 68 Ca 0.12 0.02 -0.43 0.00 -0.00 0.00 0.00 58.31 58.02 1vee n LYS 68 Cb 0.22 -1.09 -0.02 0.00 -0.00 0.00 0.00 35.03 34.14 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 -2.09 3.33 0.42 5.58 0.08 -0.61 -4.93 117.98 119.76 1vee s PHE 69 Ca -0.06 1.45 0.08 0.00 0.12 0.00 0.00 56.93 58.53 1vee s PHE 69 Cb 0.01 -3.28 0.90 0.00 -0.57 0.00 0.00 43.02 40.08 1vee s PHE 69 CO 0.10 -0.49 2.06 1.57 -0.10 0.00 0.00 175.22 178.36 1vee h LYS 70 N 7.48 0.46 -2.23 0.44 -0.00 -1.91 -3.38 116.57 117.44 1vee h LYS 70 Ca -0.19 -0.03 -0.39 0.00 -0.00 0.00 0.00 60.65 60.03 1vee h LYS 70 Cb 1.06 -0.10 -0.34 0.00 -0.00 0.00 0.00 32.23 32.85 1vee h LYS 70 CO 0.98 0.32 -0.69 -0.51 -0.00 0.00 0.00 179.45 179.55 1vee s ASP 71 N -6.74 1.93 0.38 7.07 1.01 -1.26 -5.03 116.67 114.03 1vee s ASP 71 Ca -0.08 -1.21 0.06 0.00 0.71 0.00 0.00 52.55 52.03 1vee s ASP 71 Cb 0.17 0.31 0.77 0.00 1.01 0.00 0.00 42.92 45.18 1vee s ASP 71 CO 0.73 -0.35 2.01 1.55 0.21 0.00 0.00 175.17 179.32 1vee h PRO 72 N 7.81 0.59 0.00 8.23 0.13 -1.85 -2.52 132.00 144.39 1vee h PRO 72 Ca -0.07 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1vee h PRO 72 Cb 1.05 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1vee h PRO 72 CO 0.30 0.43 0.00 -0.85 -0.23 0.00 0.00 178.00 177.66 1vee n GLU 73 N -4.43 0.09 -0.45 0.86 0.28 -1.01 -1.13 120.64 114.86 1vee n GLU 73 Ca 0.03 0.51 0.07 0.00 -0.16 0.00 0.00 57.16 57.61 1vee n GLU 73 Cb 0.09 -1.76 0.16 0.00 1.43 0.00 0.00 31.44 31.37 1vee n GLU 73 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1vee n ASN 74 N -1.95 1.82 -3.88 -1.84 0.23 -0.95 -3.94 115.26 104.75 1vee n ASN 74 Ca 0.00 -3.35 -0.26 0.00 -0.53 0.00 0.00 54.58 50.45 1vee n ASN 74 Cb 0.08 -0.46 -0.17 0.00 -2.08 0.00 0.00 39.78 37.15 1vee n ASN 74 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1vee s THR 75 N -2.69 0.88 -0.04 5.53 2.01 -0.28 -4.69 115.64 116.36 1vee s THR 75 Ca 0.33 -0.20 -0.15 0.00 0.31 0.00 0.00 61.69 61.98 1vee s THR 75 Cb 0.32 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 1vee s THR 75 CO -0.03 0.34 0.41 -0.89 -0.69 0.00 0.00 174.62 173.77 1vee s THR 76 N 1.75 5.08 -0.46 -0.82 2.01 0.04 -2.21 115.64 121.04 1vee s THR 76 Ca 0.05 0.84 0.00 0.00 0.31 0.00 0.00 61.69 62.89 1vee s THR 76 Cb -0.13 -3.73 0.12 0.00 0.01 0.00 0.00 72.50 68.78 1vee s THR 76 CO -0.07 0.51 0.23 -0.76 -0.69 0.00 0.00 174.62 173.83 1vee s LEU 77 N -0.59 4.97 -0.18 4.42 1.43 -0.60 -1.39 118.68 126.73 1vee s LEU 77 Ca 0.24 -2.41 -0.29 0.00 -1.03 0.00 0.00 54.13 50.63 1vee s LEU 77 Cb -0.16 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 1vee s LEU 77 CO 0.12 -0.41 1.12 -0.31 0.23 0.00 0.00 176.35 177.10 1vee s TYR 78 N 0.57 3.20 0.59 0.29 1.51 -0.51 -3.60 117.35 119.40 1vee s TYR 78 Ca 0.12 1.33 -0.16 0.00 -1.01 0.00 0.00 57.07 57.35 1vee s TYR 78 Cb -0.22 -3.34 -0.04 0.00 -0.11 0.00 0.00 41.96 38.25 1vee s TYR 78 CO -0.04 -0.88 1.06 0.42 -1.11 0.00 0.00 175.55 174.99 1vee s ILE 79 N 3.07 3.80 -0.28 2.71 -1.09 -0.57 -0.57 121.20 128.27 1vee s ILE 79 Ca 0.49 0.87 0.01 0.00 -2.23 0.00 0.00 60.65 59.78 1vee s ILE 79 Cb -0.18 -3.38 0.17 0.00 -1.58 0.00 0.00 42.46 37.48 1vee s ILE 79 CO 0.11 -0.48 0.48 -0.22 -1.23 0.00 0.00 174.94 173.60 1vee s LEU 80 N -4.43 -1.06 0.43 2.97 2.96 -0.75 -4.10 118.68 114.70 1vee s LEU 80 Ca 0.64 0.19 0.06 0.00 -0.22 0.00 0.00 54.13 54.80 1vee s LEU 80 Cb -0.16 1.54 -0.06 0.00 0.50 0.00 0.00 46.19 48.01 1vee s LEU 80 CO 0.36 -0.31 0.01 -0.62 -1.32 0.00 0.00 176.35 174.47 1vee s ASP 81 N 2.68 3.94 0.15 3.68 2.15 -1.26 -1.50 116.67 126.51 1vee s ASP 81 Ca 0.13 -1.43 -0.29 0.00 0.43 0.00 0.00 52.55 51.39 1vee s ASP 81 Cb -0.13 -0.19 -0.03 0.00 -0.30 0.00 0.00 42.92 42.27 1vee s ASP 81 CO -0.23 -0.54 1.56 0.07 -0.17 0.00 0.00 175.17 175.85 1vee h LYS 82 N 1.67 -0.25 0.00 4.34 2.10 -1.95 -3.21 116.57 119.27 1vee h LYS 82 Ca -0.44 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1vee h LYS 82 Cb 1.26 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1vee h LYS 82 CO 0.79 -0.17 0.00 1.19 -2.00 0.00 0.00 179.45 179.27 1vee n PHE 83 N -5.38 0.00 -0.30 0.07 3.72 -1.26 -1.79 117.46 112.52 1vee n PHE 83 Ca -0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1vee n PHE 83 Cb 0.34 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 39.14 1vee n PHE 83 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1vee h ASP 84 N 0.00 -0.14 0.00 4.37 5.19 -1.88 -3.37 116.42 120.59 1vee h ASP 84 Ca 0.00 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1vee h ASP 84 Cb 0.00 0.32 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1vee h ASP 84 CO 0.00 -0.20 0.00 0.61 -3.12 0.00 0.00 179.24 176.53 1vee n GLY 85 N -1.40 1.03 0.09 2.75 0.00 -1.26 -2.74 105.19 103.66 1vee n GLY 85 Ca 0.20 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 5.02 0.00 -0.35 1.61 3.02 -1.26 -4.98 115.26 118.32 1vee n ASN 86 Ca 0.00 -1.15 0.11 0.00 -0.03 0.00 0.00 54.58 53.51 1vee n ASN 86 Cb 0.00 -0.03 0.23 0.00 -0.61 0.00 0.00 39.78 39.37 1vee n ASN 86 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1vee n SER 87 N 0.00 -0.22 -0.00 6.41 7.64 -1.11 -1.10 113.62 125.24 1vee n SER 87 Ca 0.00 1.69 -0.10 0.00 1.01 0.00 0.00 58.87 61.46 1vee n SER 87 Cb 0.53 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 63.11 1vee n SER 87 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1vee h GLU 88 N 0.00 0.07 -0.33 1.43 5.08 -1.92 0.14 114.58 119.05 1vee h GLU 88 Ca 0.55 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.89 1vee h GLU 88 Cb 1.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1vee h GLU 88 CO -0.97 0.05 0.16 1.25 -1.00 0.00 0.00 179.01 178.50 1vee h LEU 89 N 0.07 0.43 -1.36 1.33 7.12 -1.57 -2.20 115.31 119.14 1vee h LEU 89 Ca 0.05 -0.12 -0.04 0.00 0.13 0.00 0.00 57.88 57.89 1vee h LEU 89 Cb 0.04 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.04 1vee h LEU 89 CO -0.06 0.43 0.02 0.58 -0.13 0.00 0.00 178.44 179.28 1vee h VAL 90 N 0.40 1.17 -0.58 1.05 2.07 -0.86 -0.01 116.25 119.49 1vee h VAL 90 Ca 0.11 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1vee h VAL 90 Cb 0.12 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1vee h VAL 90 CO -0.01 0.23 0.08 0.00 0.02 0.00 0.00 177.57 177.88 1vee h ALA 91 N 1.59 0.77 -0.09 1.67 0.00 -0.18 -2.68 119.26 120.35 1vee h ALA 91 Ca 0.10 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1vee h ALA 91 Cb 0.26 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1vee h ALA 91 CO 0.01 0.54 -0.86 0.93 0.00 0.00 0.00 179.25 179.87 1vee h GLU 92 N 0.87 0.69 0.16 0.00 5.08 -0.91 -3.01 114.58 117.46 1vee h GLU 92 Ca 0.17 -0.62 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1vee h GLU 92 Cb 0.44 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1vee h GLU 92 CO 0.01 1.23 -0.53 1.25 -1.00 0.00 0.00 179.01 179.97 1vee h LEU 93 N 0.45 -1.57 -1.00 1.33 5.85 -0.87 0.11 115.31 119.61 1vee h LEU 93 Ca -0.07 0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1vee h LEU 93 Cb 1.48 0.57 -0.03 0.00 0.37 0.00 0.00 40.66 43.06 1vee h LEU 93 CO 0.17 -0.57 0.17 -0.37 -0.34 0.00 0.00 178.44 177.49 1vee h VAL 94 N -0.78 1.23 0.05 1.05 -1.51 -1.61 -2.01 116.25 112.68 1vee h VAL 94 Ca -0.01 -0.80 -0.00 0.00 -1.23 0.00 0.00 66.70 64.65 1vee h VAL 94 Cb 0.77 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1vee h VAL 94 CO -0.26 0.31 -0.03 0.00 -1.23 0.00 0.00 177.57 176.36 1vee h ALA 95 N 1.32 -0.07 -0.87 5.19 0.00 -1.31 0.29 119.26 123.81 1vee h ALA 95 Ca 0.19 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1vee h ALA 95 Cb 0.27 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1vee h ALA 95 CO -0.01 -0.48 0.57 -0.07 0.00 0.00 0.00 179.25 179.26 1vee h LEU 96 N -0.19 0.96 -1.62 0.00 4.07 -0.68 -2.08 115.31 115.77 1vee h LEU 96 Ca -0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 1vee h LEU 96 Cb 0.17 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 1vee h LEU 96 CO 0.01 0.67 -0.19 0.78 -1.08 0.00 0.00 178.44 178.63 1vee h ASN 97 N 1.13 0.00 0.00 -0.43 2.35 -1.05 -3.46 115.58 114.12 1vee h ASN 97 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1vee h ASN 97 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1vee h ASN 97 CO -0.10 0.19 0.00 0.61 -1.65 0.00 0.00 177.43 176.48 1vee n GLY 98 N -0.48 -0.29 3.77 2.83 0.00 -0.78 -5.10 105.19 105.15 1vee n GLY 98 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 2.97 0.08 1.61 0.08 0.02 -2.40 117.98 120.34 1vee s PHE 99 Ca 0.00 1.56 -0.20 0.00 0.12 0.00 0.00 56.93 58.42 1vee s PHE 99 Cb 0.00 -3.30 -0.06 0.00 -0.57 0.00 0.00 43.02 39.08 1vee s PHE 99 CO 0.00 -1.27 1.33 -0.22 -0.10 0.00 0.00 175.22 174.96 1vee h LYS 100 N 2.11 -0.21 -3.25 0.44 1.63 -0.79 -3.39 116.57 113.11 1vee h LYS 100 Ca -0.49 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.24 1vee h LYS 100 Cb 1.24 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.90 1vee h LYS 100 CO 0.61 -0.14 0.18 -1.12 -3.45 0.00 0.00 179.45 175.52 1vee s SER 101 N -4.14 0.24 -0.22 4.20 0.01 -1.26 -4.99 113.70 107.53 1vee s SER 101 Ca -0.08 -1.25 -0.26 0.00 1.31 0.00 0.00 55.95 55.66 1vee s SER 101 Cb 0.05 0.82 0.07 0.00 0.21 0.00 0.00 66.02 67.18 1vee s SER 101 CO 0.37 -1.63 0.73 0.00 0.41 0.00 0.00 173.24 173.12 1vee s ALA 102 N -2.38 -1.79 -0.07 1.44 0.00 -1.26 -1.55 121.76 116.14 1vee s ALA 102 Ca 0.19 1.86 0.02 0.00 0.00 0.00 0.00 51.96 54.03 1vee s ALA 102 Cb -0.04 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.16 1vee s ALA 102 CO 0.14 -0.34 -0.12 0.71 0.00 0.00 0.00 175.76 176.15 1vee s TYR 103 N 0.01 1.48 0.01 0.00 1.51 -1.24 -3.86 117.35 115.26 1vee s TYR 103 Ca -0.02 -0.56 -0.15 0.00 -1.01 0.00 0.00 57.07 55.32 1vee s TYR 103 Cb -0.04 -1.09 -0.06 0.00 -0.11 0.00 0.00 41.96 40.66 1vee s TYR 103 CO 0.03 -0.29 0.43 0.00 -1.11 0.00 0.00 175.55 174.61 1vee s ALA 104 N 0.71 3.68 -0.40 3.71 0.00 -0.24 -1.51 121.76 127.72 1vee s ALA 104 Ca -0.14 -0.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 1vee s ALA 104 Cb -0.16 -2.43 0.05 0.00 0.00 0.00 0.00 23.12 20.58 1vee s ALA 104 CO 0.03 0.46 0.24 0.42 0.00 0.00 0.00 175.76 176.92 1vee s ILE 105 N -1.06 4.54 0.70 0.00 1.09 -1.26 -3.42 121.20 121.79 1vee s ILE 105 Ca 0.25 -1.05 -0.16 0.00 -1.10 0.00 0.00 60.65 58.59 1vee s ILE 105 Cb -0.17 -3.63 0.02 0.00 -1.06 0.00 0.00 42.46 37.62 1vee s ILE 105 CO 0.14 -0.35 1.24 1.17 -0.10 0.00 0.00 174.94 177.04 1vee n LYS 106 N 5.00 0.79 -1.01 2.79 3.00 -1.26 -2.64 118.16 124.82 1vee n LYS 106 Ca -0.11 0.33 -0.00 0.00 -0.00 0.00 0.00 58.31 58.53 1vee n LYS 106 Cb 0.45 -2.48 -0.00 0.00 0.00 0.00 0.00 35.03 32.99 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 -2.30 -4.97 0.00 3.14 8.00 -1.26 -4.35 116.55 114.80 1vee n ASP 107 Ca 0.15 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1vee n ASP 107 Cb 0.49 -2.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.10 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 -0.38 2.60 0.29 0.44 0.00 -1.08 -1.37 105.19 105.69 1vee n GLY 108 Ca -0.00 0.34 -0.07 0.00 0.00 0.00 0.00 46.02 46.29 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 10.49 2.05 0.93 4.61 0.00 -0.74 -1.20 120.51 136.65 1vee n ALA 109 Ca 0.00 -0.34 0.12 0.00 0.00 0.00 0.00 53.44 53.22 1vee n ALA 109 Cb 0.00 0.34 0.21 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.97 0.04 -0.61 0.00 1.02 -1.23 -1.94 120.64 114.96 1vee n GLU 110 Ca -0.15 0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.70 1vee n GLU 110 Cb 0.64 -1.52 0.26 0.00 -0.02 0.00 0.00 31.44 30.80 1vee n GLU 110 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1vee s GLY 111 N -3.10 1.49 0.59 0.62 0.00 -0.47 -4.76 107.32 101.68 1vee s GLY 111 Ca 0.10 -0.68 0.39 0.00 0.00 0.00 0.00 44.72 44.53 1vee s GLY 111 CO 0.72 0.22 2.17 -0.56 0.00 0.00 0.00 173.10 175.65 1vee h PRO 112 N -2.99 0.00 -0.00 2.90 0.13 -1.93 -1.09 132.00 129.01 1vee h PRO 112 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1vee h PRO 112 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1vee h PRO 112 CO 0.36 0.00 -0.01 -2.13 -0.23 0.00 0.00 178.00 175.99 1vee n ARG 113 N -2.97 2.16 -0.78 0.86 0.63 -1.26 -4.60 116.66 110.69 1vee n ARG 113 Ca -0.02 -0.32 -0.31 0.00 -0.92 0.00 0.00 57.85 56.28 1vee n ARG 113 Cb 0.14 -0.82 0.16 0.00 0.45 0.00 0.00 32.46 32.39 1vee n ARG 113 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1vee s GLY 114 N -0.44 1.78 0.03 5.14 0.00 -0.41 -4.23 107.32 109.18 1vee s GLY 114 Ca 0.00 0.64 -0.07 0.00 0.00 0.00 0.00 44.72 45.30 1vee s GLY 114 CO 0.01 1.06 0.41 1.87 0.00 0.00 0.00 173.10 176.45 1vee n TRP 115 N -4.06 -0.09 0.24 1.90 -0.00 -0.34 -0.55 117.44 114.53 1vee n TRP 115 Ca 0.12 0.26 -0.14 0.00 -0.00 0.00 0.00 57.50 57.75 1vee n TRP 115 Cb 0.52 -0.42 -0.07 0.00 -0.00 0.00 0.00 31.31 31.34 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 -1.02 -0.00 5.87 4.07 -1.62 -2.39 115.31 120.22 1vee h LEU 116 Ca 0.03 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1vee h LEU 116 Cb 0.09 0.33 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1vee h LEU 116 CO -0.20 -0.51 0.00 0.59 -1.08 0.00 0.00 178.44 177.24 1vee n ASN 117 N -4.68 0.00 -0.81 -0.43 3.02 -0.41 -1.63 115.26 110.31 1vee n ASN 117 Ca -0.09 0.50 0.04 0.00 -0.03 0.00 0.00 54.58 54.99 1vee n ASN 117 Cb 0.35 -0.50 0.15 0.00 -0.61 0.00 0.00 39.78 39.16 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 -1.50 2.26 -0.50 6.41 7.64 0.28 -4.74 113.62 123.47 1vee n SER 118 Ca 0.01 -2.20 -0.07 0.00 1.01 0.00 0.00 58.87 57.63 1vee n SER 118 Cb 0.06 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 1vee n SER 118 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1vee n SER 119 N 0.30 -4.53 -4.87 6.43 7.64 -0.65 -4.68 113.62 113.26 1vee n SER 119 Ca 0.10 0.16 -0.31 0.00 1.01 0.00 0.00 58.87 59.84 1vee n SER 119 Cb 0.45 -2.60 -0.04 0.00 -1.01 0.00 0.00 64.21 61.01 1vee n SER 119 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1vee s LEU 120 N -1.48 3.97 0.91 -3.43 1.43 -1.08 -5.06 118.68 113.93 1vee s LEU 120 Ca 0.00 1.07 -0.12 0.00 -1.03 0.00 0.00 54.13 54.05 1vee s LEU 120 Cb 0.00 -3.91 0.14 0.00 0.03 0.00 0.00 46.19 42.45 1vee s LEU 120 CO 0.00 -0.28 1.13 -2.16 0.23 0.00 0.00 176.35 175.27 1vee s PRO 121 N -3.46 1.14 -0.29 1.29 0.04 -1.26 -4.51 135.00 127.95 1vee s PRO 121 Ca 0.50 0.32 -0.16 0.00 0.04 0.00 0.00 61.00 61.70 1vee s PRO 121 Cb -0.10 -1.84 0.12 0.00 0.04 0.00 0.00 34.50 32.72 1vee s PRO 121 CO 0.26 -2.21 0.85 -0.46 0.04 0.00 0.00 177.00 175.49 1vee s TRP 122 N -3.25 -0.79 -0.72 0.56 -0.11 -1.26 -4.43 118.94 108.93 1vee s TRP 122 Ca 0.64 1.58 -0.26 0.00 1.22 0.00 0.00 56.10 59.28 1vee s TRP 122 Cb -0.15 0.47 -0.01 0.00 -1.50 0.00 0.00 33.47 32.28 1vee s TRP 122 CO 0.54 -0.39 1.75 0.42 -4.62 0.00 0.00 176.95 174.64 1vee s ILE 123 N 1.46 3.48 0.16 5.86 1.01 -0.62 -4.97 121.20 127.59 1vee s ILE 123 Ca -0.09 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.54 1vee s ILE 123 Cb -0.04 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 1vee s ILE 123 CO -0.17 -1.15 0.43 -1.61 0.00 0.00 0.00 174.94 172.44 1vee s GLU 124 N 6.67 3.69 1.12 2.79 2.02 -1.26 -1.85 118.70 131.88 1vee s GLU 124 Ca 0.61 0.05 -0.19 0.00 0.02 0.00 0.00 54.97 55.46 1vee s GLU 124 Cb -0.10 -2.80 0.27 0.00 0.10 0.00 0.00 34.13 31.60 1vee s GLU 124 CO 0.13 0.43 1.24 -1.25 0.02 0.00 0.00 175.26 175.83 1vee s PRO 125 N -2.64 -0.64 -0.07 0.39 0.04 -1.26 -4.91 135.00 125.93 1vee s PRO 125 Ca 0.42 -0.38 -0.31 0.00 0.04 0.00 0.00 61.00 60.77 1vee s PRO 125 Cb -0.12 -1.69 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 1vee s PRO 125 CO 0.23 -3.27 2.01 1.63 0.04 0.00 0.00 177.00 177.64 1vee n LYS 126 N -4.38 2.41 -1.18 4.56 5.02 -1.26 -4.92 118.16 118.41 1vee n LYS 126 Ca 0.16 0.84 -0.34 0.00 -2.02 0.00 0.00 58.31 56.96 1vee n LYS 126 Cb 0.59 -2.92 0.11 0.00 -0.02 0.00 0.00 35.03 32.80 1vee n LYS 126 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1vee n LYS 127 N 7.55 0.28 0.01 1.97 -0.00 -1.26 -4.98 118.16 121.73 1vee n LYS 127 Ca 0.24 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 1vee n LYS 127 Cb 0.37 -2.35 0.00 0.00 -0.00 0.00 0.00 35.03 33.05 1vee n LYS 127 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1vee n THR 128 N -3.05 0.11 -1.52 0.58 -1.04 -1.26 -5.10 114.28 103.00 1vee n THR 128 Ca 0.13 0.04 -0.30 0.00 -2.04 0.00 0.00 64.05 61.88 1vee n THR 128 Cb 0.50 -0.81 0.23 0.00 -1.82 0.00 0.00 70.33 68.43 1vee n THR 128 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1vee n SER 129 N -2.62 -0.92 -4.53 8.00 3.41 -1.26 -5.11 113.62 110.59 1vee n SER 129 Ca 0.00 -1.34 -0.25 0.00 -0.26 0.00 0.00 58.87 57.03 1vee n SER 129 Cb 0.00 -1.01 -0.11 0.00 -0.26 0.00 0.00 64.21 62.83 1vee n SER 129 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1vee s GLY 130 N -5.25 2.19 0.52 5.00 0.00 -1.26 -5.13 107.32 103.39 1vee s GLY 130 Ca 0.74 -2.11 -0.19 0.00 0.00 0.00 0.00 44.72 43.15 1vee s GLY 130 CO 0.54 -1.97 1.07 2.56 0.00 0.00 0.00 173.10 175.29 1vee s PRO 131 N -3.71 3.57 -1.62 2.90 0.04 -1.26 -3.58 135.00 131.34 1vee s PRO 131 Ca 0.33 1.41 -0.13 0.00 0.04 0.00 0.00 61.00 62.65 1vee s PRO 131 Cb 0.06 -2.06 0.11 0.00 0.04 0.00 0.00 34.50 32.66 1vee s PRO 131 CO 0.16 -0.63 0.68 0.45 0.04 0.00 0.00 177.00 177.70 1vee n SER 132 N -1.26 -2.51 -3.07 6.66 2.88 -1.26 -4.91 113.62 110.15 1vee n SER 132 Ca 0.10 -1.01 -0.16 0.00 -1.33 0.00 0.00 58.87 56.47 1vee n SER 132 Cb 0.52 -2.83 -0.04 0.00 -0.75 0.00 0.00 64.21 61.11 1vee n SER 132 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1vee n SER 133 N -2.75 -1.80 0.00 -3.46 2.88 -1.23 -5.31 113.62 101.94 1vee n SER 133 Ca -0.03 -2.69 0.00 0.00 -1.33 0.00 0.00 58.87 54.82 1vee n SER 133 Cb 0.55 0.54 0.00 0.00 -0.75 0.00 0.00 64.21 64.55 1vee n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42