#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vee n SER 2 N 0.00 -3.64 0.00 1.61 2.88 -1.26 -1.59 113.62 111.62 1vee n SER 2 Ca 0.00 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 1vee n SER 2 Cb 0.00 -3.01 0.00 0.00 -0.75 0.00 0.00 64.21 60.45 1vee n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1vee n SER 3 N -2.38 0.00 -4.74 -3.46 2.88 -1.26 -4.97 113.62 99.70 1vee n SER 3 Ca 0.01 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.20 1vee n SER 3 Cb 0.53 -1.27 0.07 0.00 -0.75 0.00 0.00 64.21 62.78 1vee n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1vee s GLY 4 N -2.00 2.57 -0.96 0.46 0.00 -0.62 -4.92 107.32 101.86 1vee s GLY 4 Ca 0.00 0.98 -0.23 0.00 0.00 0.00 0.00 44.72 45.47 1vee s GLY 4 CO 0.00 1.39 1.40 -0.56 0.00 0.00 0.00 173.10 175.32 1vee s SER 5 N -1.78 6.44 0.12 1.64 0.01 -1.26 -4.78 113.70 114.10 1vee s SER 5 Ca 0.77 -1.30 -0.31 0.00 1.31 0.00 0.00 55.95 56.42 1vee s SER 5 Cb -0.31 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.29 1vee s SER 5 CO 0.40 -1.54 1.36 -0.94 0.41 0.00 0.00 173.24 172.93 1vee s SER 6 N 4.67 6.86 -0.28 2.44 1.04 -1.26 -1.88 113.70 125.29 1vee s SER 6 Ca 0.43 2.30 -0.03 0.00 0.48 0.00 0.00 55.95 59.13 1vee s SER 6 Cb -0.02 -2.59 0.11 0.00 0.10 0.00 0.00 66.02 63.63 1vee s SER 6 CO -0.05 -0.62 0.20 -0.83 0.98 0.00 0.00 173.24 172.91 1vee s GLY 7 N 1.04 0.21 0.41 7.32 0.00 -0.13 -4.86 107.32 111.31 1vee s GLY 7 Ca 0.63 -0.69 -0.22 0.00 0.00 0.00 0.00 44.72 44.44 1vee s GLY 7 CO 0.31 2.29 0.28 1.44 0.00 0.00 0.00 173.10 177.41 1vee n SER 8 N 5.28 -2.05 -0.36 1.64 7.64 -1.26 -3.69 113.62 120.82 1vee n SER 8 Ca -0.04 0.86 -0.01 0.00 1.01 0.00 0.00 58.87 60.68 1vee n SER 8 Cb 0.44 -0.98 0.03 0.00 -1.01 0.00 0.00 64.21 62.70 1vee n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vee n ALA 9 N -0.94 -0.14 -0.01 -0.43 0.00 -1.24 -1.03 120.51 116.72 1vee n ALA 9 Ca 0.12 0.93 -0.10 0.00 0.00 0.00 0.00 53.44 54.38 1vee n ALA 9 Cb 0.39 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1vee n ALA 9 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1vee h LYS 10 N 0.00 0.03 -0.05 0.00 1.57 -1.87 -1.54 116.57 114.72 1vee h LYS 10 Ca 0.32 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.12 1vee h LYS 10 Cb 0.55 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1vee h LYS 10 CO -0.93 0.02 -0.13 -0.97 -0.57 0.00 0.00 179.45 176.87 1vee h ASN 11 N 0.03 -0.39 -0.86 0.86 -1.24 -1.40 -2.37 115.58 110.21 1vee h ASN 11 Ca 0.05 0.07 0.07 0.00 0.71 0.00 0.00 56.30 57.20 1vee h ASN 11 Cb 0.07 0.18 -0.06 0.00 0.73 0.00 0.00 38.32 39.24 1vee h ASN 11 CO -0.10 -0.18 0.56 0.00 -1.29 0.00 0.00 177.43 176.42 1vee h ALA 12 N 0.80 1.58 -0.06 1.57 0.00 -0.79 -0.06 119.26 122.29 1vee h ALA 12 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1vee h ALA 12 Cb 0.28 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1vee h ALA 12 CO -0.17 0.29 0.04 -0.92 0.00 0.00 0.00 179.25 178.49 1vee h TYR 13 N 0.94 0.08 -0.74 0.00 3.20 -0.78 -0.01 116.97 119.66 1vee h TYR 13 Ca 0.38 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.22 1vee h TYR 13 Cb 0.24 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1vee h TYR 13 CO -0.00 0.09 0.36 1.15 -1.64 0.00 0.00 178.16 178.12 1vee h THR 14 N 0.06 1.24 -0.78 1.81 2.02 -1.03 -2.62 112.91 113.60 1vee h THR 14 Ca 0.02 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1vee h THR 14 Cb 0.03 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.71 1vee h THR 14 CO -0.00 0.28 0.44 0.11 0.37 0.00 0.00 175.52 176.72 1vee h LYS 15 N 1.04 1.08 0.00 6.66 1.79 -0.54 -1.54 116.57 125.06 1vee h LYS 15 Ca 0.26 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1vee h LYS 15 Cb 0.11 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1vee h LYS 15 CO -0.03 0.79 -0.09 -0.07 -1.08 0.00 0.00 179.45 178.96 1vee h LEU 16 N 1.08 0.00 0.00 2.94 3.38 -0.66 0.16 115.31 122.21 1vee h LEU 16 Ca 0.28 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1vee h LEU 16 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1vee h LEU 16 CO -0.05 0.09 -0.92 1.23 0.09 0.00 0.00 178.44 178.89 1vee h GLY 17 N 0.38 0.00 0.17 0.83 0.00 -1.03 -3.36 103.07 100.06 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 0.01 0.00 -1.66 -1.30 0.00 0.00 0.00 176.54 173.59 1vee n THR 18 N -2.85 0.08 -3.51 4.70 -2.24 -0.65 -4.83 114.28 104.98 1vee n THR 18 Ca -0.02 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 1vee n THR 18 Cb 0.64 0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.89 1vee n THR 18 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vee s ASP 19 N -4.35 5.97 0.21 3.42 -1.08 -0.00 -4.99 116.67 115.85 1vee s ASP 19 Ca -0.04 -0.91 -0.16 0.00 -0.52 0.00 0.00 52.55 50.93 1vee s ASP 19 Cb 0.14 -2.11 0.23 0.00 -1.46 0.00 0.00 42.92 39.72 1vee s ASP 19 CO 0.88 -0.41 1.43 0.47 0.52 0.00 0.00 175.17 178.05 1vee n ASP 20 N 5.10 -0.59 -1.47 -0.34 8.00 -1.26 -1.49 116.55 124.50 1vee n ASP 20 Ca -0.11 1.61 0.10 0.00 0.71 0.00 0.00 54.79 57.09 1vee n ASP 20 Cb 0.47 -0.37 0.34 0.00 -0.02 0.00 0.00 41.12 41.53 1vee n ASP 20 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1vee n ASN 21 N -5.36 4.47 -4.69 -2.24 3.02 -1.26 -4.98 115.26 104.22 1vee n ASN 21 Ca 0.10 -2.34 -0.42 0.00 -0.03 0.00 0.00 54.58 51.88 1vee n ASN 21 Cb 0.37 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 1vee n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vee s ALA 22 N -1.65 3.63 0.03 5.41 0.00 -0.56 -3.16 121.76 125.47 1vee s ALA 22 Ca 0.49 1.02 0.05 0.00 0.00 0.00 0.00 51.96 53.53 1vee s ALA 22 Cb 0.30 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1vee s ALA 22 CO 0.26 -1.04 -0.15 -0.65 0.00 0.00 0.00 175.76 174.18 1vee s GLN 23 N 2.64 1.06 0.23 0.00 -1.52 0.10 -4.87 119.66 117.30 1vee s GLN 23 Ca 0.69 -0.75 -0.21 0.00 -1.95 0.00 0.00 55.36 53.14 1vee s GLN 23 Cb -0.35 -1.08 -0.08 0.00 -0.22 0.00 0.00 33.01 31.27 1vee s GLN 23 CO 0.29 0.27 0.76 -1.17 -0.25 0.00 0.00 175.29 175.19 1vee s LEU 24 N -1.00 4.36 -0.25 2.90 0.20 -1.26 -1.67 118.68 121.95 1vee s LEU 24 Ca 0.03 1.49 0.00 0.00 0.69 0.00 0.00 54.13 56.35 1vee s LEU 24 Cb -0.08 -3.63 0.07 0.00 -0.43 0.00 0.00 46.19 42.13 1vee s LEU 24 CO 0.01 0.03 -0.01 -0.22 -0.29 0.00 0.00 176.35 175.87 1vee s LEU 25 N -1.94 2.61 0.06 -0.68 2.96 0.52 -1.77 118.68 120.44 1vee s LEU 25 Ca 0.44 -1.33 -0.30 0.00 -0.22 0.00 0.00 54.13 52.72 1vee s LEU 25 Cb -0.17 -1.11 -0.05 0.00 0.50 0.00 0.00 46.19 45.36 1vee s LEU 25 CO 0.22 -0.29 0.95 -1.81 -1.32 0.00 0.00 176.35 174.10 1vee s ASP 26 N 1.43 7.43 -0.05 3.68 1.11 -0.39 -1.55 116.67 128.33 1vee s ASP 26 Ca -0.01 1.72 0.07 0.00 0.18 0.00 0.00 52.55 54.51 1vee s ASP 26 Cb -0.18 -2.57 0.12 0.00 1.07 0.00 0.00 42.92 41.35 1vee s ASP 26 CO -0.10 -0.14 1.06 2.30 1.18 0.00 0.00 175.17 179.48 1vee n ILE 27 N 3.23 1.33 -1.53 0.77 -5.35 -0.14 -0.77 119.36 116.91 1vee n ILE 27 Ca 0.03 -1.46 -0.29 0.00 -0.27 0.00 0.00 62.75 60.76 1vee n ILE 27 Cb 0.50 0.23 0.14 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 -1.69 1.03 0.33 6.28 0.52 -1.26 -3.86 118.95 120.30 1vee s ARG 28 Ca 0.12 0.26 -0.27 0.00 -0.52 0.00 0.00 55.73 55.32 1vee s ARG 28 Cb 0.11 -1.83 -0.09 0.00 0.52 0.00 0.00 34.95 33.65 1vee s ARG 28 CO 0.02 -2.26 1.08 0.00 0.02 0.00 0.00 175.30 174.16 1vee s ALA 29 N -3.29 3.28 0.30 2.13 0.00 -1.26 -4.11 121.76 118.82 1vee s ALA 29 Ca 0.64 0.83 0.06 0.00 0.00 0.00 0.00 51.96 53.49 1vee s ALA 29 Cb -0.14 -3.31 0.80 0.00 0.00 0.00 0.00 23.12 20.46 1vee s ALA 29 CO 0.53 -0.19 1.70 1.15 0.00 0.00 0.00 175.76 178.95 1vee h THR 30 N 2.75 0.46 -0.78 0.00 2.02 -2.01 -0.33 112.91 115.03 1vee h THR 30 Ca -0.47 -0.14 0.05 0.00 0.77 0.00 0.00 66.41 66.62 1vee h THR 30 Cb 1.21 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1vee h THR 30 CO 0.65 0.08 0.51 0.00 0.37 0.00 0.00 175.52 177.13 1vee h ALA 31 N 1.73 1.60 0.00 6.16 0.00 -2.01 -1.84 119.26 124.90 1vee h ALA 31 Ca 0.59 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.42 1vee h ALA 31 Cb 1.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1vee h ALA 31 CO -0.53 0.29 -0.25 0.22 0.00 0.00 0.00 179.25 178.98 1vee h ASP 32 N 0.88 0.00 0.37 0.00 3.58 -1.43 -2.08 116.42 117.74 1vee h ASP 32 Ca 0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.77 1vee h ASP 32 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1vee h ASP 32 CO -0.11 0.25 0.00 -0.26 -2.88 0.00 0.00 179.24 176.25 1vee h PHE 33 N 0.00 0.00 0.00 0.28 -1.00 -1.37 0.24 116.94 115.09 1vee h PHE 33 Ca -0.00 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1vee h PHE 33 Cb 0.53 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 1vee h PHE 33 CO 0.00 0.00 -1.82 0.54 -1.61 0.00 0.00 178.31 175.42 1vee n ARG 34 N -2.55 0.70 -0.09 1.51 1.74 -0.83 -3.54 116.66 113.60 1vee n ARG 34 Ca -0.00 -0.12 -0.17 0.00 -0.77 0.00 0.00 57.85 56.78 1vee n ARG 34 Cb 0.14 -1.39 -0.09 0.00 -1.02 0.00 0.00 32.46 30.10 1vee n ARG 34 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1vee h GLN 35 N 0.00 0.00 0.00 5.56 4.20 -0.68 -3.44 115.11 120.75 1vee h GLN 35 Ca -0.08 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.40 1vee h GLN 35 Cb 1.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.74 1vee h GLN 35 CO 0.00 0.72 -1.89 1.55 -0.67 0.00 0.00 178.83 178.54 1vee n VAL 36 N -4.49 0.83 0.00 -0.54 3.14 0.73 -4.80 118.33 113.21 1vee n VAL 36 Ca -0.25 -0.54 0.00 0.00 -2.96 0.00 0.00 64.34 60.59 1vee n VAL 36 Cb 0.56 -0.57 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 2.13 -0.22 3.20 7.55 0.00 -0.69 -4.23 105.19 112.93 1vee n GLY 37 Ca -0.20 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 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 0.02 1.00 1.61 1.04 -0.81 -4.14 113.70 108.43 1vee s SER 38 Ca 0.00 -0.40 -0.16 0.00 0.48 0.00 0.00 55.95 55.87 1vee s SER 38 Cb 0.00 0.32 0.20 0.00 0.10 0.00 0.00 66.02 66.64 1vee s SER 38 CO 0.00 -0.61 1.24 -2.16 0.98 0.00 0.00 173.24 172.68 1vee s PRO 39 N -2.90 0.37 0.01 4.02 0.04 -1.26 -0.20 135.00 135.08 1vee s PRO 39 Ca -0.02 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1vee s PRO 39 Cb 0.00 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1vee s PRO 39 CO -0.06 -2.63 -0.02 0.54 0.04 0.00 0.00 177.00 174.88 1vee s ASN 40 N -4.52 0.19 -0.01 6.66 2.20 -1.24 -4.55 114.94 113.67 1vee s ASN 40 Ca 0.71 -0.16 0.02 0.00 -0.94 0.00 0.00 52.86 52.48 1vee s ASN 40 Cb -0.07 0.02 0.03 0.00 -2.00 0.00 0.00 41.25 39.22 1vee s ASN 40 CO 0.53 -0.07 0.78 2.30 -2.94 0.00 0.00 177.10 177.70 1vee n ILE 41 N 2.62 0.48 -0.26 0.54 -5.35 -1.26 -4.73 119.36 111.39 1vee n ILE 41 Ca -0.16 -0.51 0.09 0.00 -0.27 0.00 0.00 62.75 61.90 1vee n ILE 41 Cb 0.58 0.67 0.34 0.00 -1.74 0.00 0.00 39.64 39.49 1vee n ILE 41 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1vee h LYS 42 N 0.00 0.76 -0.56 6.28 6.56 -1.96 -1.55 116.57 126.10 1vee h LYS 42 Ca 0.00 -0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.56 1vee h LYS 42 Cb 0.89 -0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 32.35 1vee h LYS 42 CO 0.00 0.50 0.37 0.78 -2.06 0.00 0.00 179.45 179.04 1vee h GLY 43 N 0.78 0.77 2.00 3.86 0.00 -1.89 0.16 103.07 108.75 1vee h GLY 43 Ca 0.42 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1vee h GLY 43 CO -0.18 0.26 0.00 1.41 0.00 0.00 0.00 176.54 178.03 1vee h LEU 44 N 0.72 0.00 -1.18 3.11 3.38 -1.68 -3.46 115.31 116.20 1vee h LEU 44 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1vee h LEU 44 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1vee h LEU 44 CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.09 1vee n GLY 45 N 0.33 0.68 3.27 0.83 0.00 0.04 -4.92 105.19 105.43 1vee n GLY 45 Ca 0.03 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 1vee n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vee s LYS 46 N -3.19 1.27 -0.10 1.61 -0.14 -1.16 -5.03 119.74 113.00 1vee s LYS 46 Ca 0.00 -1.66 -0.04 0.00 -1.36 0.00 0.00 55.97 52.91 1vee s LYS 46 Cb 0.00 -0.18 0.05 0.00 -1.68 0.00 0.00 37.83 36.03 1vee s LYS 46 CO 0.00 -0.26 0.21 0.21 -0.76 0.00 0.00 175.35 174.75 1vee s LYS 47 N -4.01 0.11 1.01 1.68 2.20 -1.26 -3.71 119.74 115.75 1vee s LYS 47 Ca 0.33 0.61 -0.14 0.00 -0.36 0.00 0.00 55.97 56.41 1vee s LYS 47 Cb 0.07 -0.15 0.20 0.00 -1.51 0.00 0.00 37.83 36.44 1vee s LYS 47 CO 0.10 -0.26 1.14 0.00 -0.36 0.00 0.00 175.35 175.96 1vee s ALA 48 N 2.08 1.29 0.04 3.13 0.00 -1.26 -4.54 121.76 122.50 1vee s ALA 48 Ca -0.01 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.34 1vee s ALA 48 Cb -0.12 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1vee s ALA 48 CO -0.07 -2.78 -0.11 0.08 0.00 0.00 0.00 175.76 172.88 1vee s VAL 49 N -3.19 0.83 -0.14 0.00 1.01 -0.73 -4.97 120.40 113.21 1vee s VAL 49 Ca 0.67 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 1vee s VAL 49 Cb -0.14 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.49 1vee s VAL 49 CO 0.55 -0.12 -0.07 -0.44 0.00 0.00 0.00 175.10 175.02 1vee s SER 50 N -1.18 2.50 -0.17 3.32 0.01 -1.26 -1.26 113.70 115.65 1vee s SER 50 Ca -0.02 -0.47 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 1vee s SER 50 Cb -0.08 -0.89 0.09 0.00 0.21 0.00 0.00 66.02 65.35 1vee s SER 50 CO 0.01 -0.15 0.29 -0.89 0.41 0.00 0.00 173.24 172.91 1vee s THR 51 N 1.67 -0.45 0.10 1.44 2.01 0.05 -4.95 115.64 115.50 1vee s THR 51 Ca 0.03 0.11 -0.31 0.00 0.31 0.00 0.00 61.69 61.83 1vee s THR 51 Cb -0.14 -0.59 -0.08 0.00 0.01 0.00 0.00 72.50 71.71 1vee s THR 51 CO -0.08 -0.01 1.41 0.54 -0.69 0.00 0.00 174.62 175.79 1vee s VAL 52 N 2.44 3.32 0.79 3.82 0.11 -1.26 -4.15 120.40 125.47 1vee s VAL 52 Ca 0.04 0.92 -0.12 0.00 -2.93 0.00 0.00 61.98 59.89 1vee s VAL 52 Cb -0.14 -3.59 0.06 0.00 -1.53 0.00 0.00 36.38 31.19 1vee s VAL 52 CO -0.11 0.06 1.12 -0.47 -3.33 0.00 0.00 175.10 172.37 1vee s TYR 53 N 1.34 2.98 -0.29 1.54 5.04 -1.25 -4.96 117.35 121.75 1vee s TYR 53 Ca 0.65 0.97 -0.15 0.00 -2.44 0.00 0.00 57.07 56.09 1vee s TYR 53 Cb -0.37 -3.24 0.15 0.00 0.35 0.00 0.00 41.96 38.85 1vee s TYR 53 CO 0.30 -1.66 0.97 1.21 -1.34 0.00 0.00 175.55 175.03 1vee s ASN 54 N -4.26 -0.56 0.65 4.32 2.47 -1.26 -5.04 114.94 111.27 1vee s ASN 54 Ca 0.61 0.83 0.43 0.00 0.42 0.00 0.00 52.86 55.14 1vee s ASN 54 Cb -0.12 1.43 2.30 0.00 -1.45 0.00 0.00 41.25 43.40 1vee s ASN 54 CO 0.52 -0.12 2.34 1.23 -3.72 0.00 0.00 177.10 177.34 1vee h GLY 55 N 6.72 0.00 1.58 1.21 0.00 -2.00 -0.90 103.07 109.68 1vee h GLY 55 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1vee h GLY 55 CO 0.15 0.00 -0.25 1.18 0.00 0.00 0.00 176.54 177.62 1vee n GLU 56 N -3.16 0.10 -1.91 4.80 -0.58 -1.26 -4.04 120.64 114.59 1vee n GLU 56 Ca -0.03 0.05 -0.09 0.00 -0.42 0.00 0.00 57.16 56.68 1vee n GLU 56 Cb 0.09 -1.59 0.06 0.00 -0.57 0.00 0.00 31.44 29.44 1vee n GLU 56 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1vee n ASP 57 N -1.74 3.00 -0.07 1.62 8.00 -0.35 -4.93 116.55 122.08 1vee n ASP 57 Ca 0.06 -3.13 -0.12 0.00 0.71 0.00 0.00 54.79 52.31 1vee n ASP 57 Cb 0.37 -0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 1vee n ASP 57 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1vee h LYS 58 N 1.94 -0.41 -0.31 -1.24 1.57 -1.67 0.26 116.57 116.69 1vee h LYS 58 Ca 0.10 0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 1vee h LYS 58 Cb 1.41 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.80 1vee h LYS 58 CO 0.39 -0.27 -0.38 -1.00 -0.57 0.00 0.00 179.45 177.62 1vee h PRO 59 N -0.43 0.74 0.00 3.15 0.13 -1.92 -2.13 132.00 131.54 1vee h PRO 59 Ca 0.10 -0.37 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1vee h PRO 59 Cb 0.61 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 1vee h PRO 59 CO -0.50 0.99 -0.06 0.78 -0.23 0.00 0.00 178.00 178.98 1vee h GLY 60 N 0.94 0.00 0.67 1.56 0.00 -1.75 -0.94 103.07 103.55 1vee h GLY 60 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.05 1vee h GLY 60 CO 0.08 0.00 -1.72 -2.75 0.00 0.00 0.00 176.54 172.15 1vee h PHE 61 N 0.00 0.54 -0.30 5.60 3.04 -0.34 -3.36 116.94 122.11 1vee h PHE 61 Ca -0.00 -0.39 -0.01 0.00 3.98 0.00 0.00 57.97 61.55 1vee h PHE 61 Cb 0.22 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 1vee h PHE 61 CO 0.00 1.68 0.16 -0.07 -2.02 0.00 0.00 178.31 178.06 1vee h LEU 62 N -0.07 0.38 -1.63 0.59 3.38 -0.79 -2.59 115.31 114.58 1vee h LEU 62 Ca -0.36 -0.09 0.14 0.00 0.09 0.00 0.00 57.88 57.66 1vee h LEU 62 Cb 1.95 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 42.56 1vee h LEU 62 CO 0.10 0.36 0.48 0.07 0.09 0.00 0.00 178.44 179.54 1vee h LYS 63 N 0.36 0.36 0.00 1.13 2.10 -1.37 0.54 116.57 119.69 1vee h LYS 63 Ca 0.11 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1vee h LYS 63 Cb 0.07 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.32 1vee h LYS 63 CO -0.02 0.24 -0.00 0.87 -2.00 0.00 0.00 179.45 178.54 1vee h LYS 64 N 0.37 0.00 0.07 0.07 1.79 -1.61 0.44 116.57 117.71 1vee h LYS 64 Ca 0.34 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.47 1vee h LYS 64 Cb 0.82 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.44 1vee h LYS 64 CO -0.10 0.00 -1.92 1.28 -1.08 0.00 0.00 179.45 177.63 1vee n LEU 65 N -4.15 2.44 0.11 2.94 7.99 0.07 -4.23 117.00 122.17 1vee n LEU 65 Ca -0.03 0.23 0.11 0.00 -0.01 0.00 0.00 56.01 56.31 1vee n LEU 65 Cb 0.09 -1.04 0.61 0.00 -0.11 0.00 0.00 43.42 42.97 1vee n LEU 65 CO 0.30 0.70 1.13 -1.28 -1.51 0.00 0.00 177.39 176.74 1vee h SER 66 N -0.28 0.11 0.52 -1.43 0.87 -0.69 0.35 113.55 113.00 1vee h SER 66 Ca -0.45 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1vee h SER 66 Cb 1.81 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.74 1vee h SER 66 CO -0.05 0.07 0.00 0.00 -0.53 0.00 0.00 176.83 176.33 1vee n LEU 67 N -4.48 0.00 -0.02 2.23 -0.00 0.10 -3.87 117.00 110.95 1vee n LEU 67 Ca 0.03 0.36 -0.05 0.00 -0.00 0.00 0.00 56.01 56.36 1vee n LEU 67 Cb 0.27 -0.36 -0.02 0.00 -0.00 0.00 0.00 43.42 43.31 1vee n LEU 67 CO 0.35 -0.10 -0.65 2.29 -0.00 0.00 0.00 177.39 179.28 1vee n LYS 68 N -1.36 0.10 -2.48 1.47 -0.00 -0.06 -4.97 118.16 110.86 1vee n LYS 68 Ca 0.08 0.04 -0.42 0.00 -0.00 0.00 0.00 58.31 58.01 1vee n LYS 68 Cb 0.20 -0.74 -0.02 0.00 -0.00 0.00 0.00 35.03 34.47 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 -2.08 2.51 -0.28 5.58 0.08 -0.22 -4.89 117.98 118.68 1vee s PHE 69 Ca -0.06 0.56 0.28 0.00 0.12 0.00 0.00 56.93 57.82 1vee s PHE 69 Cb 0.02 -4.42 1.03 0.00 -0.57 0.00 0.00 43.02 39.08 1vee s PHE 69 CO 0.08 -1.72 1.82 1.57 -0.10 0.00 0.00 175.22 176.87 1vee h LYS 70 N 10.19 0.00 -1.65 0.44 2.10 -1.89 -3.38 116.57 122.38 1vee h LYS 70 Ca -0.26 0.00 -0.42 0.00 -2.00 0.00 0.00 60.65 57.98 1vee h LYS 70 Cb 1.08 0.00 -0.29 0.00 -0.90 0.00 0.00 32.23 32.12 1vee h LYS 70 CO 1.15 0.00 -0.80 -0.40 -2.00 0.00 0.00 179.45 177.40 1vee n ASP 71 N -2.69 -1.53 0.23 7.07 5.75 -1.26 -5.00 116.55 119.13 1vee n ASP 71 Ca 0.02 -2.68 0.06 0.00 -0.01 0.00 0.00 54.79 52.18 1vee n ASP 71 Cb 0.32 0.37 0.54 0.00 -1.03 0.00 0.00 41.12 41.33 1vee n ASP 71 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1vee h PRO 72 N 5.01 0.00 0.00 0.11 0.13 -1.85 -2.90 132.00 132.50 1vee h PRO 72 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1vee h PRO 72 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1vee h PRO 72 CO 0.27 0.15 0.29 1.05 -0.23 0.00 0.00 178.00 179.54 1vee h GLU 73 N 0.00 0.00 0.00 0.86 4.11 -1.84 -0.24 114.58 117.47 1vee h GLU 73 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1vee h GLU 73 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1vee h GLU 73 CO 0.02 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.37 1vee n ASN 74 N -2.69 0.98 -4.39 3.06 0.23 -1.10 -3.87 115.26 107.49 1vee n ASN 74 Ca -0.02 -1.28 -0.35 0.00 -0.53 0.00 0.00 54.58 52.40 1vee n ASN 74 Cb 0.33 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.90 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 -0.28 3.80 -0.10 5.53 2.01 -0.47 -4.58 115.64 121.55 1vee s THR 75 Ca 0.00 -0.36 -0.19 0.00 0.31 0.00 0.00 61.69 61.46 1vee s THR 75 Cb 0.00 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1vee s THR 75 CO 0.00 0.41 0.51 -0.89 -0.69 0.00 0.00 174.62 173.96 1vee s THR 76 N 1.33 5.14 -0.39 -0.82 2.01 -1.19 -3.41 115.64 118.31 1vee s THR 76 Ca 0.04 1.03 -0.07 0.00 0.31 0.00 0.00 61.69 63.00 1vee s THR 76 Cb -0.15 -3.85 0.07 0.00 0.01 0.00 0.00 72.50 68.58 1vee s THR 76 CO 0.00 0.34 0.20 -0.76 -0.69 0.00 0.00 174.62 173.71 1vee s LEU 77 N 0.49 4.88 -0.45 4.42 1.02 -0.86 -0.72 118.68 127.46 1vee s LEU 77 Ca 0.28 -1.45 -0.25 0.00 0.02 0.00 0.00 54.13 52.73 1vee s LEU 77 Cb -0.16 -1.92 0.03 0.00 0.02 0.00 0.00 46.19 44.15 1vee s LEU 77 CO 0.12 -0.47 0.90 -0.31 0.02 0.00 0.00 176.35 176.61 1vee s TYR 78 N 1.38 2.95 0.05 0.29 1.51 -0.67 -3.06 117.35 119.80 1vee s TYR 78 Ca 0.02 0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 56.21 1vee s TYR 78 Cb -0.22 -3.87 -0.05 0.00 -0.11 0.00 0.00 41.96 37.70 1vee s TYR 78 CO 0.01 -1.05 0.78 0.42 -1.11 0.00 0.00 175.55 174.61 1vee s ILE 79 N 3.63 4.72 -0.04 2.71 1.09 0.03 -0.35 121.20 133.00 1vee s ILE 79 Ca 0.36 1.66 0.00 0.00 -1.10 0.00 0.00 60.65 61.57 1vee s ILE 79 Cb -0.11 -4.13 0.03 0.00 -1.06 0.00 0.00 42.46 37.19 1vee s ILE 79 CO 0.25 0.35 -0.01 -0.22 -0.10 0.00 0.00 174.94 175.21 1vee s LEU 80 N -0.02 1.16 0.36 2.97 0.20 -0.59 -2.15 118.68 120.62 1vee s LEU 80 Ca 0.39 -0.06 0.03 0.00 0.69 0.00 0.00 54.13 55.19 1vee s LEU 80 Cb -0.21 -0.31 -0.04 0.00 -0.43 0.00 0.00 46.19 45.21 1vee s LEU 80 CO 0.23 -0.09 0.11 -0.62 -0.29 0.00 0.00 176.35 175.69 1vee s ASP 81 N 1.07 2.37 0.14 3.68 2.15 -1.26 -0.96 116.67 123.86 1vee s ASP 81 Ca -0.09 -1.56 -0.21 0.00 0.43 0.00 0.00 52.55 51.12 1vee s ASP 81 Cb -0.14 0.31 0.02 0.00 -0.30 0.00 0.00 42.92 42.81 1vee s ASP 81 CO -0.01 -0.83 1.65 0.07 -0.17 0.00 0.00 175.17 175.88 1vee h LYS 82 N 1.98 -0.18 -4.36 4.34 2.10 -1.93 -2.58 116.57 115.94 1vee h LYS 82 Ca -0.37 0.01 -0.28 0.00 -2.00 0.00 0.00 60.65 58.02 1vee h LYS 82 Cb 1.26 0.04 -0.11 0.00 -0.90 0.00 0.00 32.23 32.52 1vee h LYS 82 CO 0.60 -0.12 -0.37 -0.06 -2.00 0.00 0.00 179.45 177.50 1vee s PHE 83 N -6.13 1.14 0.00 0.07 0.08 -1.26 -1.23 117.98 110.65 1vee s PHE 83 Ca -0.14 -1.31 0.00 0.00 0.12 0.00 0.00 56.93 55.59 1vee s PHE 83 Cb 0.12 -0.32 0.00 0.00 -0.57 0.00 0.00 43.02 42.25 1vee s PHE 83 CO 0.68 -0.91 0.00 -0.25 -0.10 0.00 0.00 175.22 174.64 1vee n ASP 84 N -0.96 0.00 0.00 1.36 8.00 -1.26 -4.66 116.55 119.03 1vee n ASP 84 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1vee n ASP 84 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1vee n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vee n GLY 85 N -0.89 0.76 0.00 0.44 0.00 -1.26 -1.41 105.19 102.83 1vee n GLY 85 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 7.21 1.08 -0.35 1.61 3.02 -1.26 -4.92 115.26 121.65 1vee n ASN 86 Ca 0.00 -1.53 0.03 0.00 -0.03 0.00 0.00 54.58 53.05 1vee n ASN 86 Cb 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.26 -0.47 -0.10 6.41 7.64 -0.50 -1.06 113.62 125.27 1vee n SER 87 Ca 0.00 1.65 -0.10 0.00 1.01 0.00 0.00 58.87 61.43 1vee n SER 87 Cb 0.35 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.48 -0.82 1.43 3.07 -1.91 -2.21 114.58 114.62 1vee h GLU 88 Ca 0.40 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.36 59.13 1vee h GLU 88 Cb 0.63 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.43 1vee h GLU 88 CO -0.96 0.51 0.38 1.25 -1.40 0.00 0.00 179.01 178.79 1vee h LEU 89 N 0.36 1.08 -1.30 1.33 7.12 -1.49 -1.95 115.31 120.46 1vee h LEU 89 Ca 0.10 -0.13 -0.05 0.00 0.13 0.00 0.00 57.88 57.92 1vee h LEU 89 Cb 0.22 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.06 1vee h LEU 89 CO -0.01 0.92 -0.26 0.58 -0.13 0.00 0.00 178.44 179.54 1vee h VAL 90 N 1.17 0.75 -0.18 1.05 2.07 -1.02 -2.06 116.25 118.03 1vee h VAL 90 Ca 0.28 -1.10 -0.21 0.00 0.82 0.00 0.00 66.70 66.49 1vee h VAL 90 Cb 0.13 1.69 0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1vee h VAL 90 CO -0.03 0.26 -0.70 0.00 0.02 0.00 0.00 177.57 177.11 1vee h ALA 91 N 1.74 0.32 -0.04 1.67 0.00 -0.72 -3.17 119.26 119.07 1vee h ALA 91 Ca -0.00 -0.57 -0.22 0.00 0.00 0.00 0.00 54.91 54.11 1vee h ALA 91 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1vee h ALA 91 CO 0.03 0.65 -0.89 1.05 0.00 0.00 0.00 179.25 180.09 1vee h GLU 92 N 0.52 0.49 0.14 0.00 4.11 -1.34 -3.16 114.58 115.34 1vee h GLU 92 Ca -0.04 -0.48 0.02 0.00 0.07 0.00 0.00 59.36 58.93 1vee h GLU 92 Cb 1.33 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.66 1vee h GLU 92 CO 0.15 1.12 -0.38 1.25 0.07 0.00 0.00 179.01 181.21 1vee h LEU 93 N 0.30 -1.11 -0.92 3.06 5.85 -1.43 -0.87 115.31 120.19 1vee h LEU 93 Ca -0.07 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1vee h LEU 93 Cb 1.51 0.42 -0.04 0.00 0.37 0.00 0.00 40.66 42.92 1vee h LEU 93 CO 0.16 -0.46 0.39 -0.37 -0.34 0.00 0.00 178.44 177.82 1vee h VAL 94 N -0.62 1.25 -0.03 1.05 -1.51 -1.67 -1.10 116.25 113.62 1vee h VAL 94 Ca 0.02 -0.70 0.01 0.00 -1.23 0.00 0.00 66.70 64.80 1vee h VAL 94 Cb 0.65 0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 1vee h VAL 94 CO -0.21 0.30 -0.05 0.00 -1.23 0.00 0.00 177.57 176.38 1vee h ALA 95 N 1.27 -0.02 0.00 5.19 0.00 -1.41 0.36 119.26 124.65 1vee h ALA 95 Ca 0.28 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1vee h ALA 95 Cb 0.11 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1vee h ALA 95 CO -0.04 -0.53 -0.21 -0.07 0.00 0.00 0.00 179.25 178.40 1vee h LEU 96 N -0.07 0.00 0.00 0.00 -0.00 -0.94 -2.82 115.31 111.47 1vee h LEU 96 Ca 0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.83 1vee h LEU 96 Cb 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 1vee h LEU 96 CO -0.07 0.21 -0.40 0.78 -0.00 0.00 0.00 178.44 178.96 1vee h ASN 97 N 0.00 0.00 0.00 -0.43 2.35 -0.34 -3.48 115.58 113.68 1vee h ASN 97 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1vee h ASN 97 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1vee h ASN 97 CO 0.03 0.38 0.00 0.61 -1.65 0.00 0.00 177.43 176.80 1vee n GLY 98 N 1.20 -0.49 3.82 2.83 0.00 -0.42 -5.07 105.19 107.06 1vee n GLY 98 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.49 3.17 0.04 1.61 0.40 -0.02 -2.77 117.98 119.93 1vee s PHE 99 Ca 0.00 1.51 -0.14 0.00 -0.60 0.00 0.00 56.93 57.70 1vee s PHE 99 Cb 0.00 -2.93 -0.06 0.00 0.51 0.00 0.00 43.02 40.54 1vee s PHE 99 CO 0.00 -0.75 1.23 -0.22 0.70 0.00 0.00 175.22 176.18 1vee h LYS 100 N 0.87 -0.30 -3.21 0.44 1.63 -1.11 -3.40 116.57 111.48 1vee h LYS 100 Ca -0.47 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.35 1vee h LYS 100 Cb 1.21 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.85 1vee h LYS 100 CO 0.59 -0.20 0.13 -1.12 -3.45 0.00 0.00 179.45 175.40 1vee s SER 101 N -3.35 -0.12 -0.23 4.20 0.01 -1.26 -5.01 113.70 107.94 1vee s SER 101 Ca -0.07 -0.82 -0.22 0.00 1.31 0.00 0.00 55.95 56.15 1vee s SER 101 Cb 0.02 0.71 0.06 0.00 0.21 0.00 0.00 66.02 67.03 1vee s SER 101 CO 0.25 -1.36 0.63 0.00 0.41 0.00 0.00 173.24 173.17 1vee s ALA 102 N -3.62 -1.56 0.02 1.44 0.00 -1.26 -2.03 121.76 114.75 1vee s ALA 102 Ca 0.15 1.77 0.08 0.00 0.00 0.00 0.00 51.96 53.96 1vee s ALA 102 Cb -0.04 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 1vee s ALA 102 CO 0.09 -0.30 -0.24 0.71 0.00 0.00 0.00 175.76 176.02 1vee s TYR 103 N 0.31 2.16 -0.31 0.00 1.51 -1.17 -4.08 117.35 115.76 1vee s TYR 103 Ca -0.00 -0.40 -0.07 0.00 -1.01 0.00 0.00 57.07 55.58 1vee s TYR 103 Cb -0.04 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.49 1vee s TYR 103 CO 0.01 0.06 0.11 0.00 -1.11 0.00 0.00 175.55 174.62 1vee s ALA 104 N -0.72 3.11 -0.39 3.71 0.00 -0.79 -0.79 121.76 125.90 1vee s ALA 104 Ca 0.10 -1.53 -0.28 0.00 0.00 0.00 0.00 51.96 50.25 1vee s ALA 104 Cb -0.09 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.77 1vee s ALA 104 CO 0.01 -1.04 1.76 0.42 0.00 0.00 0.00 175.76 176.90 1vee s ILE 105 N 1.50 3.51 0.34 0.00 1.09 -0.91 -0.95 121.20 125.77 1vee s ILE 105 Ca 0.02 0.49 -0.27 0.00 -1.10 0.00 0.00 60.65 59.79 1vee s ILE 105 Cb -0.18 -3.77 -0.09 0.00 -1.06 0.00 0.00 42.46 37.36 1vee s ILE 105 CO 0.03 -0.54 1.17 -0.75 -0.10 0.00 0.00 174.94 174.75 1vee s LYS 106 N 5.81 4.34 -0.76 2.79 2.47 -1.24 -2.58 119.74 130.56 1vee s LYS 106 Ca 0.75 1.90 0.00 0.00 -1.56 0.00 0.00 55.97 57.06 1vee s LYS 106 Cb -0.20 -2.94 0.00 0.00 -1.46 0.00 0.00 37.83 33.23 1vee s LYS 106 CO 0.31 -0.09 0.00 -0.25 0.16 0.00 0.00 175.35 175.48 1vee n ASP 107 N 0.63 -3.63 0.00 1.43 9.92 -1.26 -3.64 116.55 120.00 1vee n ASP 107 Ca 0.01 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1vee n ASP 107 Cb 0.45 -2.08 0.00 0.00 -0.64 0.00 0.00 41.12 38.85 1vee n ASP 107 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vee n GLY 108 N -1.80 0.76 0.99 0.44 0.00 -1.07 -2.72 105.19 101.78 1vee n GLY 108 Ca -0.08 0.20 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 3.36 2.92 1.84 4.61 0.00 -0.37 -1.41 120.51 131.47 1vee n ALA 109 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1vee n ALA 109 Cb 0.00 0.36 0.11 0.00 0.00 0.00 0.00 19.45 19.92 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 -3.29 0.92 -1.84 0.00 1.02 -0.68 -3.33 120.64 113.44 1vee n GLU 110 Ca -0.01 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.83 1vee n GLU 110 Cb 0.27 -1.06 0.14 0.00 -0.02 0.00 0.00 31.44 30.77 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 -1.19 1.66 0.40 0.62 0.00 -1.10 -4.91 107.32 102.80 1vee s GLY 111 Ca 0.06 -0.87 0.09 0.00 0.00 0.00 0.00 44.72 44.00 1vee s GLY 111 CO 0.04 -0.24 1.98 -0.56 0.00 0.00 0.00 173.10 174.32 1vee h PRO 112 N -1.40 0.58 0.00 2.90 0.13 -1.90 -2.57 132.00 129.73 1vee h PRO 112 Ca -0.46 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1vee h PRO 112 Cb 1.29 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1vee h PRO 112 CO 0.53 0.38 -0.36 2.89 -0.23 0.00 0.00 178.00 181.21 1vee n ARG 113 N -4.48 0.68 -0.64 0.86 0.00 -1.26 -4.79 116.66 107.03 1vee n ARG 113 Ca 0.09 -1.98 -0.29 0.00 -0.00 0.00 0.00 57.85 55.67 1vee n ARG 113 Cb 0.26 -0.97 0.23 0.00 -0.00 0.00 0.00 32.46 31.99 1vee n ARG 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1vee s GLY 114 N -2.10 1.56 0.11 2.89 0.00 -0.97 -3.85 107.32 104.96 1vee s GLY 114 Ca 0.20 -0.08 -0.08 0.00 0.00 0.00 0.00 44.72 44.76 1vee s GLY 114 CO -0.01 0.59 0.73 1.87 0.00 0.00 0.00 173.10 176.28 1vee n TRP 115 N -4.76 0.03 0.50 1.90 -0.00 -0.50 -0.10 117.44 114.51 1vee n TRP 115 Ca 0.04 0.58 -0.20 0.00 -0.00 0.00 0.00 57.50 57.92 1vee n TRP 115 Cb 0.54 -0.69 -0.10 0.00 -0.00 0.00 0.00 31.31 31.07 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 -1.06 0.00 5.87 3.38 -1.83 -2.63 115.31 119.04 1vee h LEU 116 Ca 0.17 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1vee h LEU 116 Cb 0.29 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1vee h LEU 116 CO -0.47 -0.75 0.00 0.59 0.09 0.00 0.00 178.44 177.90 1vee n ASN 117 N -5.62 0.00 -1.16 -0.43 3.02 0.12 -3.22 115.26 107.97 1vee n ASN 117 Ca -0.16 -0.81 0.09 0.00 -0.03 0.00 0.00 54.58 53.66 1vee n ASN 117 Cb 0.50 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.93 1vee n ASN 117 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1vee n SER 118 N -0.82 3.37 -1.88 6.41 2.88 0.86 -4.65 113.62 119.78 1vee n SER 118 Ca 0.09 -2.13 -0.18 0.00 -1.33 0.00 0.00 58.87 55.33 1vee n SER 118 Cb 0.04 -0.43 -0.02 0.00 -0.75 0.00 0.00 64.21 63.05 1vee n SER 118 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1vee n SER 119 N 1.07 -5.17 -4.73 -3.46 7.64 -1.20 -4.59 113.62 103.17 1vee n SER 119 Ca 0.20 0.08 -0.27 0.00 1.01 0.00 0.00 58.87 59.89 1vee n SER 119 Cb 0.57 -4.25 -0.07 0.00 -1.01 0.00 0.00 64.21 59.46 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 -4.88 3.58 0.53 -3.43 1.43 -1.21 -5.12 118.68 109.58 1vee s LEU 120 Ca 0.00 -0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 52.71 1vee s LEU 120 Cb 0.00 -2.22 -0.07 0.00 0.03 0.00 0.00 46.19 43.93 1vee s LEU 120 CO 0.00 0.10 1.00 -2.16 0.23 0.00 0.00 176.35 175.52 1vee s PRO 121 N -2.88 3.79 -0.06 1.29 0.04 -1.26 -4.69 135.00 131.23 1vee s PRO 121 Ca 0.29 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.25 1vee s PRO 121 Cb -0.10 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1vee s PRO 121 CO 0.21 -0.41 0.26 -0.46 0.04 0.00 0.00 177.00 176.64 1vee s TRP 122 N -2.57 -0.21 -0.95 0.56 -0.11 -1.26 -3.60 118.94 110.80 1vee s TRP 122 Ca 0.60 0.47 -0.17 0.00 1.22 0.00 0.00 56.10 58.21 1vee s TRP 122 Cb -0.12 0.08 0.15 0.00 -1.50 0.00 0.00 33.47 32.08 1vee s TRP 122 CO 0.32 -0.24 1.11 0.42 -4.62 0.00 0.00 176.95 173.95 1vee s ILE 123 N -0.51 4.91 0.53 5.86 1.01 0.73 -4.91 121.20 128.82 1vee s ILE 123 Ca -0.06 -1.86 -0.17 0.00 0.00 0.00 0.00 60.65 58.56 1vee s ILE 123 Cb -0.04 -4.75 -0.07 0.00 0.01 0.00 0.00 42.46 37.62 1vee s ILE 123 CO 0.02 -1.45 1.02 -1.61 0.00 0.00 0.00 174.94 172.92 1vee s GLU 124 N 2.13 3.73 1.04 2.79 2.02 -1.26 -1.92 118.70 127.22 1vee s GLU 124 Ca 0.32 1.11 -0.18 0.00 0.02 0.00 0.00 54.97 56.25 1vee s GLU 124 Cb -0.05 -2.10 0.24 0.00 0.10 0.00 0.00 34.13 32.32 1vee s GLU 124 CO -0.08 -0.47 1.26 -0.35 0.02 0.00 0.00 175.26 175.64 1vee n PRO 125 N -1.57 -1.78 -2.18 0.39 -0.04 -1.26 -4.94 135.00 123.62 1vee n PRO 125 Ca 0.08 -1.96 -0.43 0.00 -0.04 0.00 0.00 63.50 61.15 1vee n PRO 125 Cb 0.53 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 1vee n PRO 125 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1vee s LYS 126 N -5.77 3.53 -0.37 0.54 2.36 -1.26 -4.88 119.74 113.88 1vee s LYS 126 Ca 0.74 1.25 -0.35 0.00 -2.55 0.00 0.00 55.97 55.06 1vee s LYS 126 Cb -0.03 -4.09 -0.15 0.00 -1.05 0.00 0.00 37.83 32.51 1vee s LYS 126 CO 0.53 -1.62 1.20 1.17 1.55 0.00 0.00 175.35 178.17 1vee n LYS 127 N 8.13 0.00 -3.95 4.03 3.00 -1.26 -4.95 118.16 123.15 1vee n LYS 127 Ca 0.19 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.26 1vee n LYS 127 Cb 0.47 -1.11 -0.03 0.00 0.00 0.00 0.00 35.03 34.36 1vee n LYS 127 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1vee s THR 128 N 2.27 5.30 0.76 3.15 -1.32 -1.26 -5.10 115.64 119.44 1vee s THR 128 Ca 0.78 -0.82 -0.12 0.00 -1.21 0.00 0.00 61.69 60.33 1vee s THR 128 Cb -1.11 -3.79 0.05 0.00 -1.51 0.00 0.00 72.50 66.13 1vee s THR 128 CO 0.61 -0.20 1.11 -0.44 -2.21 0.00 0.00 174.62 173.49 1vee s SER 129 N -3.56 4.43 0.00 8.08 0.01 -1.26 -4.93 113.70 116.46 1vee s SER 129 Ca 0.34 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.55 1vee s SER 129 Cb -0.10 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1vee s SER 129 CO 0.29 -2.09 0.00 0.61 0.41 0.00 0.00 173.24 172.46 1vee n GLY 130 N -0.78 2.24 3.92 3.44 0.00 -1.26 -5.08 105.19 107.67 1vee n GLY 130 Ca 0.10 -1.95 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.72 3.29 -0.24 1.61 0.04 -1.26 -5.11 135.00 130.61 1vee s PRO 131 Ca 0.00 0.05 -0.10 0.00 0.04 0.00 0.00 61.00 60.99 1vee s PRO 131 Cb 0.00 -2.37 0.09 0.00 0.04 0.00 0.00 34.50 32.26 1vee s PRO 131 CO 0.00 -0.36 0.53 -1.54 0.04 0.00 0.00 177.00 175.67 1vee s SER 132 N -4.18 -0.68 -0.19 6.66 1.04 -1.26 -5.17 113.70 109.93 1vee s SER 132 Ca 0.49 1.23 -0.32 0.00 0.48 0.00 0.00 55.95 57.84 1vee s SER 132 Cb -0.10 1.50 0.15 0.00 0.10 0.00 0.00 66.02 67.66 1vee s SER 132 CO 0.44 -0.22 1.16 -0.55 0.98 0.00 0.00 173.24 175.05 1vee s SER 133 N 2.26 -0.20 0.00 7.02 0.15 -1.26 -5.31 113.70 116.36 1vee s SER 133 Ca -0.06 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1vee s SER 133 Cb -0.10 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1vee s SER 133 CO -0.16 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.64