#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5b n GLY 9 N 0.00 0.09 3.56 0.23 0.00 -1.26 -4.64 105.19 103.17 3d5b n GLY 9 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3d5b n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5b s LYS 10 N 0.00 2.28 0.03 1.61 1.02 -1.26 -3.30 119.74 120.12 3d5b s LYS 10 Ca 0.00 0.04 -0.00 0.00 0.02 0.00 0.00 55.97 56.03 3d5b s LYS 10 Cb 0.00 -4.92 0.00 0.00 -0.52 0.00 0.00 37.83 32.39 3d5b s LYS 10 CO 0.00 -3.63 0.05 0.54 -0.92 0.00 0.00 175.35 171.39 3d5b n ARG 11 N 8.87 0.07 0.32 1.68 5.12 -1.26 -4.87 116.66 126.60 3d5b n ARG 11 Ca 0.41 -0.22 0.13 0.00 -1.93 0.00 0.00 57.85 56.23 3d5b n ARG 11 Cb 0.46 0.23 0.68 0.00 -1.16 0.00 0.00 32.46 32.68 3d5b n ARG 11 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3d5b h PRO 12 N 0.00 0.00 0.64 5.56 0.13 -1.94 -1.75 132.00 134.63 3d5b h PRO 12 Ca -0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 3d5b h PRO 12 Cb 0.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.24 3d5b h PRO 12 CO 0.03 0.00 -0.31 0.97 -0.23 0.00 0.00 178.00 178.47 3d5b h ILE 13 N 0.00 0.00 -4.78 -3.56 6.09 -1.92 -3.49 117.51 109.86 3d5b h ILE 13 Ca 0.00 -0.34 -0.07 0.00 -1.37 0.00 0.00 64.86 63.07 3d5b h ILE 13 Cb 0.82 0.00 0.06 0.00 0.47 0.00 0.00 36.82 38.17 3d5b h ILE 13 CO 0.00 0.00 -0.26 0.52 -3.07 0.00 0.00 178.15 175.34 3d5b n VAL 14 N -5.25 -7.51 -3.54 2.19 0.31 -0.66 -5.01 118.33 98.85 3d5b n VAL 14 Ca -0.11 -0.51 -0.27 0.00 -0.01 0.00 0.00 64.34 63.44 3d5b n VAL 14 Cb 0.34 -5.88 -0.09 0.00 -0.91 0.00 0.00 33.84 27.30 3d5b n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d5b n ALA 15 N -2.06 3.65 -1.60 3.52 0.00 -1.23 -5.04 120.51 117.75 3d5b n ALA 15 Ca -0.02 -4.48 -0.54 0.00 0.00 0.00 0.00 53.44 48.40 3d5b n ALA 15 Cb 0.54 -0.92 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 3d5b n ALA 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3d5b n ASN 16 N 1.35 2.36 -4.58 0.00 3.02 -1.26 -4.53 115.26 111.62 3d5b n ASN 16 Ca 0.26 0.83 -0.44 0.00 -0.03 0.00 0.00 54.58 55.21 3d5b n ASN 16 Cb 0.41 -1.19 -0.04 0.00 -0.61 0.00 0.00 39.78 38.35 3d5b n ASN 16 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3d5b n SER 17 N 7.07 3.06 -4.87 6.41 3.41 -1.26 -4.95 113.62 122.49 3d5b n SER 17 Ca 0.32 0.19 -0.36 0.00 -0.26 0.00 0.00 58.87 58.76 3d5b n SER 17 Cb 0.17 -1.52 -0.06 0.00 -0.26 0.00 0.00 64.21 62.54 3d5b n SER 17 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3d5b s ILE 18 N 8.41 5.29 0.22 -1.33 -0.00 -1.23 -4.85 121.20 127.71 3d5b s ILE 18 Ca 1.02 0.37 -0.13 0.00 -0.00 0.00 0.00 60.65 61.91 3d5b s ILE 18 Cb -0.40 -3.55 -0.08 0.00 -0.00 0.00 0.00 42.46 38.43 3d5b s ILE 18 CO 0.37 0.50 0.60 -1.10 -0.00 0.00 0.00 174.94 175.31 3d5b s GLN 19 N -1.35 3.96 0.32 0.37 -0.21 -1.26 -2.55 119.66 118.94 3d5b s GLN 19 Ca 0.23 0.50 -0.04 0.00 0.02 0.00 0.00 55.36 56.07 3d5b s GLN 19 Cb -0.14 -2.73 0.02 0.00 1.00 0.00 0.00 33.01 31.15 3d5b s GLN 19 CO 0.11 0.35 0.48 0.54 -2.12 0.00 0.00 175.29 174.66 3d5b n ARG 20 N 0.26 0.69 -2.63 2.91 3.00 0.11 -4.89 116.66 116.10 3d5b n ARG 20 Ca -0.01 -2.40 -0.41 0.00 -0.01 0.00 0.00 57.85 55.02 3d5b n ARG 20 Cb 0.52 2.41 -0.05 0.00 0.00 0.00 0.00 32.46 35.34 3d5b n ARG 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3d5b s ARG 21 N -2.60 4.69 -0.37 5.56 1.81 -1.26 -0.83 118.95 125.94 3d5b s ARG 21 Ca 0.24 1.59 0.03 0.00 -1.72 0.00 0.00 55.73 55.87 3d5b s ARG 21 Cb -0.01 -3.30 0.11 0.00 -0.45 0.00 0.00 34.95 31.29 3d5b s ARG 21 CO 0.17 0.23 0.11 0.20 -0.68 0.00 0.00 175.30 175.33 3d5b s GLY 22 N -0.39 1.86 -0.15 -3.53 0.00 -0.80 -4.86 107.32 99.46 3d5b s GLY 22 Ca 0.46 -2.52 -0.05 0.00 0.00 0.00 0.00 44.72 42.61 3d5b s GLY 22 CO 0.33 1.11 0.02 -1.59 0.00 0.00 0.00 173.10 172.97 3d5b s LYS 23 N 0.78 3.62 -0.23 2.90 -2.85 -1.26 -3.34 119.74 119.37 3d5b s LYS 23 Ca 0.12 -0.40 -0.16 0.00 -1.00 0.00 0.00 55.97 54.53 3d5b s LYS 23 Cb -0.20 -3.02 -0.04 0.00 -2.06 0.00 0.00 37.83 32.51 3d5b s LYS 23 CO -0.09 0.40 0.42 0.00 0.10 0.00 0.00 175.35 176.18 3d5b s ALA 24 N -0.01 3.56 -0.13 0.59 0.00 -0.14 -4.91 121.76 120.71 3d5b s ALA 24 Ca 0.04 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3d5b s ALA 24 Cb -0.13 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 3d5b s ALA 24 CO 0.02 -0.49 -0.15 0.15 0.00 0.00 0.00 175.76 175.29 3d5b s LYS 25 N 1.72 3.30 -0.02 0.00 1.02 -1.26 -0.58 119.74 123.91 3d5b s LYS 25 Ca 0.19 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 3d5b s LYS 25 Cb -0.15 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 3d5b s LYS 25 CO 0.09 0.16 0.09 0.50 -0.92 0.00 0.00 175.35 175.27 3d5b s ARG 26 N 0.46 3.14 0.00 1.68 3.52 -1.17 -4.98 118.95 121.60 3d5b s ARG 26 Ca -0.11 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 3d5b s ARG 26 Cb -0.16 -2.91 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 3d5b s ARG 26 CO 0.05 0.67 0.00 -0.85 -0.81 0.00 0.00 175.30 174.36 3d5b n GLU 27 N 1.31 -0.93 -0.03 5.12 0.00 -1.26 -1.13 120.64 123.72 3d5b n GLU 27 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 56.97 3d5b n GLU 27 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.95 3d5b n GLU 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3d5b n GLY 28 N 0.00 -0.09 0.00 -1.84 0.00 -0.67 -4.98 105.19 97.62 3d5b n GLY 28 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3d5b n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5b n GLY 29 N 2.97 3.15 2.41 -0.02 0.00 -1.01 -4.72 105.19 107.97 3d5b n GLY 29 Ca -0.11 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 3d5b n GLY 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d5b n VAL 30 N 0.00 2.20 0.00 1.61 0.31 -1.26 -4.70 118.33 116.49 3d5b n VAL 30 Ca 0.00 -4.45 0.00 0.00 -0.01 0.00 0.00 64.34 59.88 3d5b n VAL 30 Cb 0.00 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 3d5b n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d5b n GLY 31 N -0.49 -0.25 2.38 2.92 0.00 -1.26 -5.16 105.19 103.33 3d5b n GLY 31 Ca 0.35 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.40 3d5b n GLY 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3d5b n LYS 32 N -2.18 0.01 -3.62 1.61 4.81 -1.26 -4.98 118.16 112.55 3d5b n LYS 32 Ca 0.00 -0.31 -0.13 0.00 -0.87 0.00 0.00 58.31 56.99 3d5b n LYS 32 Cb 0.00 0.61 -0.07 0.00 0.02 0.00 0.00 35.03 35.59 3d5b n LYS 32 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3d5b s LYS 33 N -2.00 0.79 0.10 1.64 2.20 -1.26 -1.66 119.74 119.54 3d5b s LYS 33 Ca 0.19 0.83 0.01 0.00 -0.36 0.00 0.00 55.97 56.64 3d5b s LYS 33 Cb -0.00 0.38 -0.01 0.00 -1.51 0.00 0.00 37.83 36.70 3d5b s LYS 33 CO -0.02 -0.12 0.11 0.25 -0.36 0.00 0.00 175.35 175.22 3d5b n THR 34 N 2.38 0.00 -3.74 3.43 -2.24 -0.28 -5.01 114.28 108.82 3d5b n THR 34 Ca -0.14 -0.67 -0.05 0.00 -2.27 0.00 0.00 64.05 60.92 3d5b n THR 34 Cb 0.55 0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 69.13 3d5b n THR 34 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3d5b n THR 35 N -0.19 0.00 -3.11 4.28 -2.24 -1.26 -3.03 114.28 108.73 3d5b n THR 35 Ca 0.02 -0.61 0.04 0.00 -2.27 0.00 0.00 64.05 61.23 3d5b n THR 35 Cb 0.18 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3d5b n THR 35 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3d5b s GLY 36 N -1.75 -1.11 0.11 3.38 0.00 0.26 -4.80 107.32 103.41 3d5b s GLY 36 Ca 0.10 1.62 -0.06 0.00 0.00 0.00 0.00 44.72 46.38 3d5b s GLY 36 CO 0.07 3.99 0.37 -0.42 0.00 0.00 0.00 173.10 177.11 3d5b s ILE 37 N 2.75 5.16 0.29 0.90 1.01 -1.26 -0.97 121.20 129.08 3d5b s ILE 37 Ca 0.21 0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.92 3d5b s ILE 37 Cb -0.04 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.81 3d5b s ILE 37 CO -0.22 0.14 0.48 -0.94 0.00 0.00 0.00 174.94 174.40 3d5b s SER 38 N -2.18 0.25 -0.12 3.58 1.04 -1.21 -4.99 113.70 110.08 3d5b s SER 38 Ca 0.37 -1.15 -0.02 0.00 0.48 0.00 0.00 55.95 55.63 3d5b s SER 38 Cb -0.13 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 3d5b s SER 38 CO 0.22 -1.22 -0.04 -0.54 0.98 0.00 0.00 173.24 172.64 3d5b s LYS 39 N -3.58 3.27 0.02 4.02 1.02 -1.26 -1.91 119.74 121.32 3d5b s LYS 39 Ca 0.25 -0.52 0.02 0.00 0.02 0.00 0.00 55.97 55.75 3d5b s LYS 39 Cb -0.01 -2.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.51 3d5b s LYS 39 CO 0.13 0.45 -0.07 0.50 -0.92 0.00 0.00 175.35 175.44 3d5b s ARG 40 N -0.20 0.48 -0.40 1.68 3.00 -0.01 -4.86 118.95 118.64 3d5b s ARG 40 Ca 0.03 -0.52 -0.16 0.00 -1.00 0.00 0.00 55.73 54.08 3d5b s ARG 40 Cb -0.13 -0.33 0.01 0.00 0.00 0.00 0.00 34.95 34.50 3d5b s ARG 40 CO 0.02 0.07 0.37 0.50 0.00 0.00 0.00 175.30 176.27 3d5b s ARG 41 N -0.98 3.19 -0.62 5.12 3.52 -1.26 0.08 118.95 128.00 3d5b s ARG 41 Ca -0.05 -0.75 -0.23 0.00 -0.13 0.00 0.00 55.73 54.57 3d5b s ARG 41 Cb -0.07 -3.92 0.06 0.00 -1.56 0.00 0.00 34.95 29.46 3d5b s ARG 41 CO 0.00 -0.73 0.94 -0.65 -0.81 0.00 0.00 175.30 174.05 3d5b s GLN 42 N 1.96 3.18 0.49 5.12 -0.21 -1.06 -4.95 119.66 124.20 3d5b s GLN 42 Ca 0.10 -0.65 -0.19 0.00 0.02 0.00 0.00 55.36 54.64 3d5b s GLN 42 Cb -0.17 -4.16 -0.09 0.00 1.00 0.00 0.00 33.01 29.59 3d5b s GLN 42 CO 0.12 -1.68 0.99 0.71 -2.12 0.00 0.00 175.29 173.31 3d5b s TYR 43 N 3.95 3.28 -0.18 0.91 1.51 -1.26 -3.47 117.35 122.09 3d5b s TYR 43 Ca 0.24 1.54 -0.16 0.00 -1.01 0.00 0.00 57.07 57.68 3d5b s TYR 43 Cb -0.16 -2.88 -0.04 0.00 -0.11 0.00 0.00 41.96 38.78 3d5b s TYR 43 CO 0.13 -0.42 0.41 -1.25 -1.11 0.00 0.00 175.55 173.31 3d5b s PRO 44 N -3.62 4.23 -0.36 -1.71 0.04 -1.26 -5.00 135.00 127.31 3d5b s PRO 44 Ca 0.62 0.25 -0.36 0.00 0.04 0.00 0.00 61.00 61.55 3d5b s PRO 44 Cb -0.11 -3.50 -0.12 0.00 0.04 0.00 0.00 34.50 30.81 3d5b s PRO 44 CO 0.24 0.04 2.19 -1.71 0.04 0.00 0.00 177.00 177.79 3d5b n ASN 45 N 4.18 1.97 -3.90 6.66 4.05 -1.26 -4.90 115.26 122.05 3d5b n ASN 45 Ca -0.08 0.44 -0.25 0.00 0.45 0.00 0.00 54.58 55.14 3d5b n ASN 45 Cb 0.51 -1.22 -0.17 0.00 1.23 0.00 0.00 39.78 40.13 3d5b n ASN 45 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3d5b s LEU 46 N 7.18 1.19 0.36 1.20 0.20 -1.26 0.29 118.68 127.83 3d5b s LEU 46 Ca 1.11 -0.24 0.09 0.00 0.69 0.00 0.00 54.13 55.78 3d5b s LEU 46 Cb -0.93 -0.71 -0.07 0.00 -0.43 0.00 0.00 46.19 44.05 3d5b s LEU 46 CO 0.51 -0.09 -0.07 -1.10 -0.29 0.00 0.00 176.35 175.31 3d5b s GLN 47 N 1.43 1.84 0.03 1.98 -1.52 0.89 -4.93 119.66 119.38 3d5b s GLN 47 Ca -0.01 -1.97 -0.16 0.00 -1.95 0.00 0.00 55.36 51.27 3d5b s GLN 47 Cb -0.13 -1.65 -0.06 0.00 -0.22 0.00 0.00 33.01 30.94 3d5b s GLN 47 CO -0.04 0.09 0.47 0.15 -0.25 0.00 0.00 175.29 175.70 3d5b s LYS 48 N -3.64 4.01 -0.26 2.91 1.02 -1.26 -2.05 119.74 120.47 3d5b s LYS 48 Ca 0.33 0.52 -0.01 0.00 0.02 0.00 0.00 55.97 56.82 3d5b s LYS 48 Cb 0.04 -3.21 0.08 0.00 -0.52 0.00 0.00 37.83 34.22 3d5b s LYS 48 CO 0.17 0.67 0.05 0.08 -0.92 0.00 0.00 175.35 175.39 3d5b s VAL 49 N -1.11 0.88 0.06 3.17 1.01 -0.57 -4.96 120.40 118.89 3d5b s VAL 49 Ca 0.26 -1.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 3d5b s VAL 49 Cb -0.17 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 3d5b s VAL 49 CO 0.16 -0.41 0.45 -0.13 0.00 0.00 0.00 175.10 175.16 3d5b s ARG 50 N 1.66 3.90 0.01 2.72 0.52 -1.26 -0.99 118.95 125.50 3d5b s ARG 50 Ca 0.03 0.38 -0.19 0.00 -0.52 0.00 0.00 55.73 55.44 3d5b s ARG 50 Cb -0.17 -3.10 0.04 0.00 0.52 0.00 0.00 34.95 32.23 3d5b s ARG 50 CO -0.16 0.61 0.41 0.54 0.02 0.00 0.00 175.30 176.72 3d5b s VAL 51 N -1.25 0.05 0.00 3.52 0.11 -0.67 -5.01 120.40 117.16 3d5b s VAL 51 Ca 0.30 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 3d5b s VAL 51 Cb -0.16 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 3d5b s VAL 51 CO 0.16 -0.22 0.52 0.54 -3.33 0.00 0.00 175.10 172.77 3d5b n ARG 52 N 0.88 0.00 -2.40 1.54 5.12 -1.26 -2.05 116.66 118.48 3d5b n ARG 52 Ca -0.20 0.11 -0.05 0.00 -1.93 0.00 0.00 57.85 55.79 3d5b n ARG 52 Cb 0.58 -1.03 -0.04 0.00 -1.16 0.00 0.00 32.46 30.81 3d5b n ARG 52 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3d5b n VAL 53 N -0.83-11.55 -0.36 1.55 0.31 -1.26 -3.91 118.33 102.28 3d5b n VAL 53 Ca 0.00 2.44 0.00 0.00 -0.01 0.00 0.00 64.34 66.77 3d5b n VAL 53 Cb 0.00 -6.07 0.00 0.00 -0.91 0.00 0.00 33.84 26.86 3d5b n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d5b n ALA 54 N 1.47 0.00 -1.44 3.52 0.00 -1.26 -4.43 120.51 118.37 3d5b n ALA 54 Ca -0.33 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.80 3d5b n ALA 54 Cb 0.51 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.05 3d5b n ALA 54 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3d5b s GLY 55 N -0.07 1.64 0.11 0.00 0.00 -1.26 -4.89 107.32 102.85 3d5b s GLY 55 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.68 3d5b s GLY 55 CO 0.00 0.36 0.00 -1.06 0.00 0.00 0.00 173.10 172.40 3d5b n GLN 56 N -3.47 -0.94 -1.59 2.90 1.13 -1.26 -4.95 117.38 109.19 3d5b n GLN 56 Ca 0.07 0.62 0.00 0.00 -1.94 0.00 0.00 57.00 55.76 3d5b n GLN 56 Cb 0.55 -1.15 0.00 0.00 0.11 0.00 0.00 30.24 29.75 3d5b n GLN 56 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3d5b n GLU 57 N -2.53 2.20 -3.65 -1.09 1.02 -1.25 -4.46 120.64 110.88 3d5b n GLU 57 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.12 3d5b n GLU 57 Cb 0.21 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.57 3d5b n GLU 57 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3d5b s ILE 58 N -0.48 0.00 0.06 -3.67 2.07 -0.87 -4.92 121.20 113.38 3d5b s ILE 58 Ca 0.00 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 3d5b s ILE 58 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 3d5b s ILE 58 CO 0.00 0.00 -0.03 0.42 -1.91 0.00 0.00 174.94 173.42 3d5b s THR 59 N 0.46 3.88 -0.24 4.00 -4.23 -1.26 -1.66 115.64 116.59 3d5b s THR 59 Ca 0.01 -0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 3d5b s THR 59 Cb -0.04 -2.79 0.07 0.00 1.34 0.00 0.00 72.50 71.08 3d5b s THR 59 CO -0.13 0.22 0.03 -0.36 -0.54 0.00 0.00 174.62 173.84 3d5b s PHE 60 N -1.20 1.55 -1.10 3.99 2.99 -0.17 -4.96 117.98 119.09 3d5b s PHE 60 Ca 0.22 -1.33 -0.11 0.00 0.00 0.00 0.00 56.93 55.72 3d5b s PHE 60 Cb -0.11 -1.36 -0.07 0.00 0.00 0.00 0.00 43.02 41.48 3d5b s PHE 60 CO 0.14 -0.73 2.27 -2.13 -0.00 0.00 0.00 175.22 174.78 3d5b n ARG 61 N 4.90 2.41 -2.87 0.44 3.00 -1.26 -1.50 116.66 121.77 3d5b n ARG 61 Ca -0.08 -1.82 -0.19 0.00 -0.00 0.00 0.00 57.85 55.76 3d5b n ARG 61 Cb 0.45 -2.71 0.04 0.00 0.00 0.00 0.00 32.46 30.23 3d5b n ARG 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3d5b s VAL 62 N 3.43 2.65 0.73 5.15 0.11 -0.87 -4.63 120.40 126.98 3d5b s VAL 62 Ca 0.50 -0.87 -0.07 0.00 -2.93 0.00 0.00 61.98 58.62 3d5b s VAL 62 Cb 0.13 -2.78 0.08 0.00 -1.53 0.00 0.00 36.38 32.28 3d5b s VAL 62 CO -0.02 0.00 1.04 0.00 -3.33 0.00 0.00 175.10 172.80 3d5b s ALA 63 N -2.61 3.13 0.13 1.54 0.00 -1.26 -0.08 121.76 122.62 3d5b s ALA 63 Ca 0.58 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.38 3d5b s ALA 63 Cb -0.09 -2.54 -0.08 0.00 0.00 0.00 0.00 23.12 20.41 3d5b s ALA 63 CO 0.37 -1.44 1.37 0.00 0.00 0.00 0.00 175.76 176.06 3d5b h ALA 64 N -0.70 0.42 0.04 0.00 0.00 -0.52 -3.29 119.26 115.22 3d5b h ALA 64 Ca -0.43 -0.57 0.02 0.00 0.00 0.00 0.00 54.91 53.92 3d5b h ALA 64 Cb 1.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3d5b h ALA 64 CO 0.55 0.69 -0.14 1.03 0.00 0.00 0.00 179.25 181.39 3d5b h SER 65 N 0.53 -0.39 -0.84 0.00 0.87 -1.95 -3.14 113.55 108.62 3d5b h SER 65 Ca -0.03 0.05 -0.55 0.00 -1.23 0.00 0.00 61.79 60.03 3d5b h SER 65 Cb 1.31 0.16 -0.25 0.00 -0.44 0.00 0.00 62.40 63.17 3d5b h SER 65 CO 0.14 -0.20 0.71 1.41 -0.53 0.00 0.00 176.83 178.37 3d5b n HIS 66 N -5.27 2.71 0.14 2.24 -0.00 -1.24 -4.58 115.22 109.23 3d5b n HIS 66 Ca -0.06 -2.54 -0.13 0.00 -0.00 0.00 0.00 57.72 54.99 3d5b n HIS 66 Cb 0.19 -1.23 -0.08 0.00 -0.00 0.00 0.00 29.99 28.86 3d5b n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3d5b h ILE 67 N 0.97 0.76 -1.00 1.59 2.04 -1.61 -3.20 117.51 117.06 3d5b h ILE 67 Ca 0.52 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.88 3d5b h ILE 67 Cb 1.13 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 38.22 3d5b h ILE 67 CO 1.28 0.12 0.64 1.55 0.00 0.00 0.00 178.15 181.75 3d5b h PRO 68 N -0.68 1.10 -1.24 2.37 0.13 -1.88 -1.48 132.00 130.32 3d5b h PRO 68 Ca -0.04 -0.07 0.37 0.00 -0.87 0.00 0.00 66.00 65.40 3d5b h PRO 68 Cb 0.47 -0.25 -0.10 0.00 0.13 0.00 0.00 31.00 31.25 3d5b h PRO 68 CO 0.06 0.73 0.82 -0.22 -0.23 0.00 0.00 178.00 179.16 3d5b h LYS 69 N 1.13 0.17 0.51 0.86 1.63 -1.89 0.33 116.57 119.31 3d5b h LYS 69 Ca 0.45 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.21 3d5b h LYS 69 Cb 0.25 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 3d5b h LYS 69 CO -0.20 0.11 -0.24 0.28 -3.45 0.00 0.00 179.45 175.95 3d5b h VAL 70 N 0.18 0.00 -0.36 2.00 2.07 -1.35 -0.62 116.25 118.17 3d5b h VAL 70 Ca 0.71 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 68.16 3d5b h VAL 70 Cb 2.23 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3d5b h VAL 70 CO -0.29 0.00 0.24 1.88 0.02 0.00 0.00 177.57 179.42 3d5b h TYR 71 N -0.79 0.34 -0.67 1.57 -1.99 -1.10 0.32 116.97 114.65 3d5b h TYR 71 Ca -0.07 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 3d5b h TYR 71 Cb 0.52 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 39.11 3d5b h TYR 71 CO 0.07 0.20 0.41 1.49 -0.00 0.00 0.00 178.16 180.33 3d5b h GLU 72 N 0.35 0.90 -0.50 4.88 4.22 -0.43 -2.12 114.58 121.88 3d5b h GLU 72 Ca 0.15 -0.08 -0.07 0.00 0.08 0.00 0.00 59.36 59.44 3d5b h GLU 72 Cb 0.16 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3d5b h GLU 72 CO -0.03 0.64 0.03 1.25 -2.18 0.00 0.00 179.01 178.71 3d5b h LEU 73 N 0.91 0.78 -2.24 1.64 6.46 0.12 -1.62 115.31 121.36 3d5b h LEU 73 Ca 0.24 -0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 3d5b h LEU 73 Cb -0.04 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 39.68 3d5b h LEU 73 CO -0.05 0.83 0.03 0.58 -0.62 0.00 0.00 178.44 179.21 3d5b h VAL 74 N 0.77 0.73 -0.04 1.05 2.07 -0.31 -0.87 116.25 119.64 3d5b h VAL 74 Ca 0.15 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 3d5b h VAL 74 Cb 0.42 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3d5b h VAL 74 CO 0.01 0.00 -0.03 -0.08 0.02 0.00 0.00 177.57 177.49 3d5b h GLU 75 N 0.00 0.10 0.00 1.57 4.57 -0.74 -2.69 114.58 117.39 3d5b h GLU 75 Ca 0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3d5b h GLU 75 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3d5b h GLU 75 CO -0.00 0.54 0.00 0.00 -1.18 0.00 0.00 179.01 178.37 3d5b h ARG 76 N -0.34 0.00 0.00 1.92 2.47 -1.04 -1.91 114.38 115.49 3d5b h ARG 76 Ca 0.01 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.65 3d5b h ARG 76 Cb 0.51 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 3d5b h ARG 76 CO 0.01 0.00 -0.37 0.00 0.56 0.00 0.00 179.97 180.17 3d5b h ALA 77 N 2.01 0.84 -0.07 0.04 0.00 -0.86 -2.93 119.26 118.29 3d5b h ALA 77 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3d5b h ALA 77 Cb 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3d5b h ALA 77 CO 0.00 0.46 -0.19 0.87 0.00 0.00 0.00 179.25 180.39 3d5b h LYS 78 N 0.00 0.11 -0.93 0.00 1.79 -1.29 -0.47 116.57 115.78 3d5b h LYS 78 Ca -0.00 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3d5b h LYS 78 Cb 1.10 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.74 3d5b h LYS 78 CO 0.05 0.30 0.01 0.41 -1.08 0.00 0.00 179.45 179.13 3d5b n GLY 79 N -0.87 1.80 3.41 3.86 0.00 -1.11 -4.82 105.19 107.47 3d5b n GLY 79 Ca -0.02 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 3d5b n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d5b s LEU 80 N -0.50 2.53 -0.29 0.99 1.43 -0.19 -5.12 118.68 117.54 3d5b s LEU 80 Ca 0.10 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 3d5b s LEU 80 Cb 0.08 -0.98 0.06 0.00 0.03 0.00 0.00 46.19 45.38 3d5b s LEU 80 CO 0.03 -0.00 -0.03 -0.60 0.23 0.00 0.00 176.35 175.97 3d5b s ARG 81 N -3.29 2.31 0.05 1.70 3.52 -1.26 -5.03 118.95 116.94 3d5b s ARG 81 Ca 0.25 -1.34 -0.04 0.00 -0.13 0.00 0.00 55.73 54.46 3d5b s ARG 81 Cb -0.05 -3.09 -0.02 0.00 -1.56 0.00 0.00 34.95 30.23 3d5b s ARG 81 CO 0.11 -0.63 0.06 -0.51 -0.81 0.00 0.00 175.30 173.52 3d5b s LEU 82 N 1.18 1.99 0.00 -0.88 1.02 -1.26 -5.16 118.68 115.56 3d5b s LEU 82 Ca -0.05 -0.67 0.00 0.00 0.02 0.00 0.00 54.13 53.42 3d5b s LEU 82 Cb -0.20 0.50 0.00 0.00 0.02 0.00 0.00 46.19 46.51 3d5b s LEU 82 CO -0.03 -0.54 0.00 1.21 0.02 0.00 0.00 176.35 177.01 3d5b n GLU 83 N 0.57 -0.41 -1.79 1.70 2.13 -1.26 -4.84 120.64 116.74 3d5b n GLU 83 Ca -0.18 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.64 3d5b n GLU 83 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 3d5b n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3d5b n GLY 84 N -0.45 -2.22 3.40 8.31 0.00 -1.26 -4.70 105.19 108.27 3d5b n GLY 84 Ca 0.00 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3d5b n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d5b n LEU 85 N -0.09 -2.93 -2.78 0.99 4.77 -1.26 -4.95 117.00 110.76 3d5b n LEU 85 Ca 0.01 0.03 -0.18 0.00 -0.03 0.00 0.00 56.01 55.84 3d5b n LEU 85 Cb 0.04 -1.62 -0.00 0.00 -2.33 0.00 0.00 43.42 39.51 3d5b n LEU 85 CO 0.11 -0.49 -0.03 -1.20 -1.33 0.00 0.00 177.39 174.45 3d5b n SER 86 N 0.28 2.58 0.00 -1.43 7.64 -1.26 -4.96 113.62 116.48 3d5b n SER 86 Ca -0.06 -3.18 0.00 0.00 1.01 0.00 0.00 58.87 56.64 3d5b n SER 86 Cb 0.62 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3d5b n SER 86 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3d5b n PRO 87 N -0.12 0.00 -0.04 1.43 -0.04 -1.26 -2.09 135.00 132.88 3d5b n PRO 87 Ca 0.23 0.26 -0.13 0.00 -0.04 0.00 0.00 63.50 63.83 3d5b n PRO 87 Cb 0.68 -1.16 -0.07 0.00 -0.04 0.00 0.00 33.50 32.91 3d5b n PRO 87 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3d5b h LYS 88 N 0.00 0.22 -0.34 0.54 3.64 -1.96 -3.25 116.57 115.41 3d5b h LYS 88 Ca 0.00 -0.09 0.10 0.00 -1.27 0.00 0.00 60.65 59.39 3d5b h LYS 88 Cb 0.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3d5b h LYS 88 CO 0.00 0.57 0.36 1.05 -2.27 0.00 0.00 179.45 179.16 3d5b h GLU 89 N -0.14 0.00 -0.13 1.90 4.11 -1.93 0.61 114.58 119.00 3d5b h GLU 89 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 3d5b h GLU 89 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3d5b h GLU 89 CO 0.02 0.00 0.07 0.82 0.07 0.00 0.00 179.01 179.98 3d5b h ILE 90 N 0.00 1.10 -0.04 -1.06 1.08 -1.45 -1.78 117.51 115.36 3d5b h ILE 90 Ca 0.16 -0.29 0.04 0.00 -0.39 0.00 0.00 64.86 64.38 3d5b h ILE 90 Cb 0.88 1.06 -0.05 0.00 -3.07 0.00 0.00 36.82 35.65 3d5b h ILE 90 CO -0.00 0.09 -0.23 0.11 -0.69 0.00 0.00 178.15 177.43 3d5b h LYS 91 N 0.10 -0.33 0.60 2.37 1.57 -1.03 0.67 116.57 120.52 3d5b h LYS 91 Ca 0.04 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3d5b h LYS 91 Cb 0.09 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3d5b h LYS 91 CO -0.01 -0.22 -0.37 -0.22 -0.57 0.00 0.00 179.45 178.07 3d5b h LYS 92 N -0.34 -0.87 0.00 3.15 1.63 -1.54 -0.16 116.57 118.45 3d5b h LYS 92 Ca 0.07 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 3d5b h LYS 92 Cb 0.44 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 3d5b h LYS 92 CO -0.24 -0.58 0.01 0.39 -3.45 0.00 0.00 179.45 175.58 3d5b n GLU 93 N -4.69 0.00 -2.73 1.90 -0.58 -0.67 -2.82 120.64 111.04 3d5b n GLU 93 Ca -0.11 0.16 -0.42 0.00 -0.42 0.00 0.00 57.16 56.37 3d5b n GLU 93 Cb 0.37 -1.51 0.01 0.00 -0.57 0.00 0.00 31.44 29.75 3d5b n GLU 93 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3d5b n LEU 94 N -1.15 6.81 0.00 -4.62 7.94 0.23 -5.03 117.00 121.19 3d5b n LEU 94 Ca 0.00 -5.14 0.00 0.00 -1.11 0.00 0.00 56.01 49.76 3d5b n LEU 94 Cb 0.01 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 42.67 3d5b n LEU 94 CO 0.00 1.75 0.00 -0.11 -1.11 0.00 0.00 177.39 177.92