#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9c n LYS 3 N 0.00 -1.45 -4.23 -1.46 3.00 -1.26 -5.00 118.16 107.77 3i9c n LYS 3 Ca 0.00 0.23 -0.17 0.00 -0.00 0.00 0.00 58.31 58.37 3i9c n LYS 3 Cb 0.00 -3.63 -0.11 0.00 0.00 0.00 0.00 35.03 31.29 3i9c n LYS 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3i9c s VAL 4 N -2.78 1.23 1.01 3.15 -7.23 -1.26 -4.21 120.40 110.31 3i9c s VAL 4 Ca 0.09 -1.73 -0.12 0.00 -1.81 0.00 0.00 61.98 58.41 3i9c s VAL 4 Cb -0.04 -1.52 0.20 0.00 0.56 0.00 0.00 36.38 35.58 3i9c s VAL 4 CO 0.12 -0.48 1.09 0.00 -0.31 0.00 0.00 175.10 175.52 3i9c n GLU 6 N -4.26 0.40 0.09 0.00 1.02 -1.23 -3.86 120.64 112.80 3i9c n GLU 6 Ca 0.05 0.12 -0.23 0.00 -0.02 0.00 0.00 57.16 57.08 3i9c n GLU 6 Cb 0.57 -1.26 -0.15 0.00 -0.02 0.00 0.00 31.44 30.57 3i9c n GLU 6 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3i9c h ILE 7 N -0.20 1.23 0.00 -3.67 2.04 -1.94 -3.38 117.51 111.59 3i9c h ILE 7 Ca -0.39 -2.57 -0.04 0.00 1.00 0.00 0.00 64.86 62.86 3i9c h ILE 7 Cb 1.51 2.98 -0.01 0.00 -0.74 0.00 0.00 36.82 40.56 3i9c h ILE 7 CO -0.12 0.78 -1.94 -1.54 0.00 0.00 0.00 178.15 175.33 3i9c n SER 8 N -3.83 0.09 -0.14 1.72 3.41 -1.26 -4.97 113.62 108.63 3i9c n SER 8 Ca -0.19 0.04 -0.02 0.00 -0.26 0.00 0.00 58.87 58.44 3i9c n SER 8 Cb 1.00 1.73 -0.01 0.00 -0.26 0.00 0.00 64.21 66.67 3i9c n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9c n GLY 9 N 1.30 0.35 3.74 5.00 0.00 -1.25 -4.95 105.19 109.39 3i9c n GLY 9 Ca -0.07 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 3i9c n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9c s LYS 10 N -1.56 2.90 0.22 1.61 1.02 -1.26 -4.58 119.74 118.09 3i9c s LYS 10 Ca 0.00 2.07 -0.18 0.00 0.02 0.00 0.00 55.97 57.87 3i9c s LYS 10 Cb 0.00 -2.03 0.03 0.00 -0.52 0.00 0.00 37.83 35.30 3i9c s LYS 10 CO 0.00 -1.33 0.57 -0.98 -0.92 0.00 0.00 175.35 172.69 3i9c s ARG 11 N -3.17 1.48 0.01 1.68 1.70 -1.26 -0.83 118.95 118.56 3i9c s ARG 11 Ca 0.77 -0.89 -0.38 0.00 -0.47 0.00 0.00 55.73 54.76 3i9c s ARG 11 Cb -0.37 0.54 -0.17 0.00 -0.57 0.00 0.00 34.95 34.39 3i9c s ARG 11 CO 0.41 -0.64 1.37 -2.30 -1.08 0.00 0.00 175.30 173.05 3i9c n PRO 12 N -0.38 0.96 -4.27 3.89 -0.02 -1.26 -4.72 135.00 129.21 3i9c n PRO 12 Ca -0.08 0.35 -0.23 0.00 -2.02 0.00 0.00 63.50 61.52 3i9c n PRO 12 Cb 0.62 -1.97 -0.12 0.00 -0.02 0.00 0.00 33.50 32.00 3i9c n PRO 12 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3i9c s ILE 13 N 0.93 1.58 0.09 4.25 -4.36 -1.17 -4.97 121.20 117.54 3i9c s ILE 13 Ca 0.88 -1.48 -0.22 0.00 -0.26 0.00 0.00 60.65 59.56 3i9c s ILE 13 Cb -1.03 -1.45 -0.07 0.00 1.25 0.00 0.00 42.46 41.17 3i9c s ILE 13 CO 0.52 -0.09 0.67 -0.69 0.24 0.00 0.00 174.94 175.59 3i9c s VAL 14 N -1.18 4.62 -0.02 8.37 1.01 -1.26 -2.12 120.40 129.83 3i9c s VAL 14 Ca 0.05 1.44 -0.04 0.00 0.00 0.00 0.00 61.98 63.43 3i9c s VAL 14 Cb -0.10 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3i9c s VAL 14 CO 0.04 0.51 0.09 0.00 0.00 0.00 0.00 175.10 175.73 3i9c s ALA 15 N -0.89 -0.20 0.29 5.51 0.00 0.12 -4.96 121.76 121.63 3i9c s ALA 15 Ca 0.33 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 3i9c s ALA 15 Cb -0.21 -0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.79 3i9c s ALA 15 CO 0.22 -0.11 0.73 -0.80 0.00 0.00 0.00 175.76 175.79 3i9c s ASN 16 N -0.60 6.85 -0.19 0.00 0.01 -1.26 -0.86 114.94 118.91 3i9c s ASN 16 Ca -0.07 1.31 -0.05 0.00 -0.71 0.00 0.00 52.86 53.35 3i9c s ASN 16 Cb -0.04 -2.38 -0.02 0.00 0.41 0.00 0.00 41.25 39.21 3i9c s ASN 16 CO 0.00 -0.13 -0.01 -0.94 -1.51 0.00 0.00 177.10 174.51 3i9c s SER 17 N -2.08 4.82 -0.15 -1.22 1.04 0.15 -4.92 113.70 111.33 3i9c s SER 17 Ca 0.51 -0.18 -0.01 0.00 0.48 0.00 0.00 55.95 56.74 3i9c s SER 17 Cb -0.12 -1.81 -0.01 0.00 0.10 0.00 0.00 66.02 64.17 3i9c s SER 17 CO 0.19 0.10 -0.10 -0.63 0.98 0.00 0.00 173.24 173.77 3i9c s ILE 18 N 0.81 3.23 -0.51 -1.02 1.01 -1.26 -2.12 121.20 121.34 3i9c s ILE 18 Ca 0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 60.65 59.90 3i9c s ILE 18 Cb -0.14 -2.39 0.09 0.00 0.01 0.00 0.00 42.46 40.03 3i9c s ILE 18 CO 0.02 0.50 0.48 -1.10 0.00 0.00 0.00 174.94 174.84 3i9c s GLN 19 N 0.61 3.01 -0.12 2.79 -1.52 0.86 -4.99 119.66 120.29 3i9c s GLN 19 Ca -0.06 -1.40 -0.07 0.00 -1.95 0.00 0.00 55.36 51.87 3i9c s GLN 19 Cb -0.15 -4.19 -0.04 0.00 -0.22 0.00 0.00 33.01 28.40 3i9c s GLN 19 CO 0.03 -1.19 0.15 1.03 -0.25 0.00 0.00 175.29 175.05 3i9c s ARG 20 N 1.85 3.49 -0.36 2.91 0.52 -1.26 0.40 118.95 126.50 3i9c s ARG 20 Ca 0.06 -0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.16 3i9c s ARG 20 Cb -0.25 -3.20 0.15 0.00 0.52 0.00 0.00 34.95 32.16 3i9c s ARG 20 CO 0.06 0.75 0.26 0.50 0.02 0.00 0.00 175.30 176.90 3i9c s ARG 21 N -0.97 0.58 0.00 3.54 3.52 -0.10 -4.90 118.95 120.62 3i9c s ARG 21 Ca 0.15 -1.22 0.00 0.00 -0.13 0.00 0.00 55.73 54.53 3i9c s ARG 21 Cb -0.12 -1.14 0.00 0.00 -1.56 0.00 0.00 34.95 32.13 3i9c s ARG 21 CO 0.04 -1.21 0.00 0.41 -0.81 0.00 0.00 175.30 173.73 3i9c n GLY 22 N 4.06 1.16 2.97 8.12 0.00 -1.26 -4.08 105.19 116.16 3i9c n GLY 22 Ca 0.12 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 3i9c n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i9c s LYS 23 N 2.48 1.72 1.08 1.61 2.20 -1.26 -5.01 119.74 122.56 3i9c s LYS 23 Ca 0.00 -0.37 -0.19 0.00 -0.36 0.00 0.00 55.97 55.06 3i9c s LYS 23 Cb 0.00 -1.60 0.06 0.00 -1.51 0.00 0.00 37.83 34.78 3i9c s LYS 23 CO 0.00 -0.14 -0.12 0.00 -0.36 0.00 0.00 175.35 174.73 3i9c n ALA 24 N 4.47 -4.14 0.07 3.13 0.00 -1.26 -4.12 120.51 118.65 3i9c n ALA 24 Ca -0.17 -1.19 -0.19 0.00 0.00 0.00 0.00 53.44 51.90 3i9c n ALA 24 Cb 0.51 -1.48 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 3i9c n ALA 24 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i9c h LYS 25 N -1.86 0.29 -0.97 0.00 1.79 -1.81 -3.24 116.57 110.77 3i9c h LYS 25 Ca -0.51 -0.50 0.10 0.00 -2.18 0.00 0.00 60.65 57.56 3i9c h LYS 25 Cb 1.35 0.19 -0.07 0.00 -1.58 0.00 0.00 32.23 32.12 3i9c h LYS 25 CO 0.36 1.17 0.62 -0.09 -1.08 0.00 0.00 179.45 180.43 3i9c h ARG 26 N 0.08 0.99 0.00 3.15 2.43 -1.94 -3.41 114.38 115.68 3i9c h ARG 26 Ca -0.27 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3i9c h ARG 26 Cb 2.04 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 31.37 3i9c h ARG 26 CO 0.17 0.65 0.00 0.39 -1.51 0.00 0.00 179.97 179.67 3i9c n GLU 27 N -4.55 2.17 0.00 0.20 1.02 -1.23 -4.97 120.64 113.27 3i9c n GLU 27 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3i9c n GLU 27 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 3i9c n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i9c n GLY 28 N 5.00 0.00 0.00 0.62 0.00 -1.26 -4.88 105.19 104.67 3i9c n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9c n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9c n GLY 29 N 0.00 2.40 2.08 -0.02 0.00 -1.22 -4.91 105.19 103.52 3i9c n GLY 29 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3i9c n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i9c n VAL 30 N 0.00 -3.16 -0.89 1.61 0.24 -1.26 -4.50 118.33 110.36 3i9c n VAL 30 Ca 0.00 0.75 -0.36 0.00 -2.04 0.00 0.00 64.34 62.69 3i9c n VAL 30 Cb 0.00 -2.56 0.08 0.00 -1.47 0.00 0.00 33.84 29.89 3i9c n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i9c n GLY 31 N 1.96 -3.03 3.79 7.63 0.00 -1.26 -4.19 105.19 110.09 3i9c n GLY 31 Ca 0.00 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 3i9c n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9c s LYS 32 N -2.55 3.99 -0.07 1.61 -0.14 -1.26 -4.42 119.74 116.90 3i9c s LYS 32 Ca 0.44 1.44 0.05 0.00 -1.36 0.00 0.00 55.97 56.54 3i9c s LYS 32 Cb -0.03 -2.32 -0.01 0.00 -1.68 0.00 0.00 37.83 33.79 3i9c s LYS 32 CO 0.69 -0.28 -0.25 0.15 -0.76 0.00 0.00 175.35 174.90 3i9c s LYS 33 N -2.86 2.75 -0.39 1.68 -0.14 -1.26 -4.96 119.74 114.57 3i9c s LYS 33 Ca 0.62 -0.89 -0.25 0.00 -1.36 0.00 0.00 55.97 54.09 3i9c s LYS 33 Cb -0.19 -2.22 0.02 0.00 -1.68 0.00 0.00 37.83 33.76 3i9c s LYS 33 CO 0.24 0.30 0.87 0.99 -0.76 0.00 0.00 175.35 176.99 3i9c s THR 34 N 0.04 4.62 -1.15 2.17 2.01 -1.26 -0.93 115.64 121.14 3i9c s THR 34 Ca -0.10 0.95 0.25 0.00 0.31 0.00 0.00 61.69 63.10 3i9c s THR 34 Cb -0.15 -4.31 0.05 0.00 0.01 0.00 0.00 72.50 68.10 3i9c s THR 34 CO 0.06 -0.57 1.44 0.35 -0.69 0.00 0.00 174.62 175.20 3i9c n THR 35 N 6.01 0.00 0.00 -0.82 -2.24 0.16 -4.97 114.28 112.42 3i9c n THR 35 Ca 0.05 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3i9c n THR 35 Cb 0.48 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 3i9c n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i9c n GLY 36 N 1.47 1.50 2.92 3.38 0.00 -1.12 -4.94 105.19 108.39 3i9c n GLY 36 Ca 0.07 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 3i9c n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i9c s ILE 37 N -1.42 0.82 0.05 -0.61 1.01 -1.26 -0.10 121.20 119.68 3i9c s ILE 37 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3i9c s ILE 37 Cb 0.00 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 3i9c s ILE 37 CO 0.00 0.31 -0.08 -0.44 0.00 0.00 0.00 174.94 174.73 3i9c s SER 38 N 1.20 0.86 0.15 3.58 0.01 -0.90 -4.95 113.70 113.65 3i9c s SER 38 Ca -0.06 -0.59 -0.12 0.00 1.31 0.00 0.00 55.95 56.49 3i9c s SER 38 Cb -0.14 0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.07 3i9c s SER 38 CO -0.02 -0.23 0.51 -0.54 0.41 0.00 0.00 173.24 173.37 3i9c s LYS 39 N -1.79 3.88 0.14 12.44 1.02 -1.26 0.33 119.74 134.50 3i9c s LYS 39 Ca -0.08 0.35 -0.24 0.00 0.02 0.00 0.00 55.97 56.02 3i9c s LYS 39 Cb -0.09 -2.88 0.07 0.00 -0.52 0.00 0.00 37.83 34.41 3i9c s LYS 39 CO -0.00 0.46 0.61 -0.98 -0.92 0.00 0.00 175.35 174.52 3i9c s ARG 40 N -2.16 1.26 0.19 1.68 1.70 -0.03 -4.91 118.95 116.68 3i9c s ARG 40 Ca 0.39 -0.40 0.01 0.00 -0.47 0.00 0.00 55.73 55.26 3i9c s ARG 40 Cb -0.14 0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 3i9c s ARG 40 CO 0.19 -0.54 0.36 -0.98 -1.08 0.00 0.00 175.30 173.25 3i9c s ARG 41 N -3.49 3.48 -0.24 3.89 3.03 -1.26 0.16 118.95 124.52 3i9c s ARG 41 Ca -0.00 -0.47 0.02 0.00 2.03 0.00 0.00 55.73 57.30 3i9c s ARG 41 Cb -0.01 -2.88 0.05 0.00 -1.03 0.00 0.00 34.95 31.08 3i9c s ARG 41 CO -0.11 0.43 -0.11 -0.65 -1.13 0.00 0.00 175.30 173.73 3i9c s GLN 42 N -3.40 2.23 0.16 3.89 -0.21 -0.90 -4.91 119.66 116.52 3i9c s GLN 42 Ca 0.37 -1.15 -0.14 0.00 0.02 0.00 0.00 55.36 54.45 3i9c s GLN 42 Cb -0.11 -2.73 -0.07 0.00 1.00 0.00 0.00 33.01 31.10 3i9c s GLN 42 CO 0.29 -0.50 0.56 0.71 -2.12 0.00 0.00 175.29 174.23 3i9c s TYR 43 N 1.21 3.59 0.67 0.91 1.51 -1.26 -3.04 117.35 120.94 3i9c s TYR 43 Ca -0.05 1.06 -0.14 0.00 -1.01 0.00 0.00 57.07 56.92 3i9c s TYR 43 Cb -0.18 -2.37 0.01 0.00 -0.11 0.00 0.00 41.96 39.30 3i9c s TYR 43 CO -0.07 0.41 1.11 -1.25 -1.11 0.00 0.00 175.55 174.64 3i9c s PRO 44 N -2.05 2.73 -0.84 -1.71 0.04 -1.26 -4.84 135.00 127.07 3i9c s PRO 44 Ca 0.39 1.37 -0.22 0.00 0.04 0.00 0.00 61.00 62.58 3i9c s PRO 44 Cb -0.15 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.30 3i9c s PRO 44 CO 0.19 -1.30 1.92 -1.71 0.04 0.00 0.00 177.00 176.15 3i9c n ASN 45 N -2.54 2.62 -4.74 6.66 2.85 -1.26 -4.92 115.26 113.93 3i9c n ASN 45 Ca 0.10 -2.68 -0.41 0.00 -0.11 0.00 0.00 54.58 51.48 3i9c n ASN 45 Cb 0.52 -1.22 -0.03 0.00 1.24 0.00 0.00 39.78 40.29 3i9c n ASN 45 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3i9c s LEU 46 N 2.85 4.44 0.00 1.20 1.02 -1.26 -1.27 118.68 125.66 3i9c s LEU 46 Ca 0.59 2.33 0.07 0.00 0.02 0.00 0.00 54.13 57.14 3i9c s LEU 46 Cb 0.12 -3.61 -0.02 0.00 0.02 0.00 0.00 46.19 42.69 3i9c s LEU 46 CO 0.12 -0.42 0.24 0.00 0.02 0.00 0.00 176.35 176.31 3i9c n GLN 47 N 2.31 0.38 -4.50 1.70 1.13 0.41 -4.92 117.38 113.89 3i9c n GLN 47 Ca 0.04 -2.93 -0.30 0.00 -1.94 0.00 0.00 57.00 51.87 3i9c n GLN 47 Cb 0.44 2.33 -0.17 0.00 0.11 0.00 0.00 30.24 32.95 3i9c n GLN 47 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3i9c s LYS 48 N -3.21 2.52 -0.27 -1.09 1.02 -1.26 -2.58 119.74 114.88 3i9c s LYS 48 Ca 0.33 -0.67 -0.06 0.00 0.02 0.00 0.00 55.97 55.59 3i9c s LYS 48 Cb 0.02 -2.11 -0.00 0.00 -0.52 0.00 0.00 37.83 35.22 3i9c s LYS 48 CO 0.24 -0.06 0.06 0.08 -0.92 0.00 0.00 175.35 174.75 3i9c s VAL 49 N 0.96 3.94 -0.27 3.17 1.01 -0.93 -4.96 120.40 123.33 3i9c s VAL 49 Ca -0.06 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 3i9c s VAL 49 Cb -0.15 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 3i9c s VAL 49 CO -0.02 0.18 0.17 -0.13 0.00 0.00 0.00 175.10 175.30 3i9c s ARG 50 N 1.52 3.94 -0.04 2.72 0.52 -1.26 -1.66 118.95 124.69 3i9c s ARG 50 Ca 0.04 -0.33 0.01 0.00 -0.52 0.00 0.00 55.73 54.93 3i9c s ARG 50 Cb -0.16 -3.59 0.02 0.00 0.52 0.00 0.00 34.95 31.73 3i9c s ARG 50 CO 0.02 -0.12 -0.05 0.08 0.02 0.00 0.00 175.30 175.24 3i9c s VAL 51 N 1.57 0.57 -0.23 3.52 1.01 -1.02 -4.94 120.40 120.88 3i9c s VAL 51 Ca 0.07 -0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 3i9c s VAL 51 Cb -0.15 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 3i9c s VAL 51 CO 0.09 0.22 0.79 -0.60 0.00 0.00 0.00 175.10 175.60 3i9c s ARG 52 N 0.74 4.19 0.03 2.72 6.06 -1.26 -0.62 118.95 130.80 3i9c s ARG 52 Ca -0.10 0.88 0.09 0.00 -2.50 0.00 0.00 55.73 54.10 3i9c s ARG 52 Cb -0.13 -3.63 -0.03 0.00 0.06 0.00 0.00 34.95 31.22 3i9c s ARG 52 CO 0.00 -0.46 -0.25 0.08 -2.50 0.00 0.00 175.30 172.17 3i9c s VAL 53 N 2.63 2.05 0.00 7.11 1.01 -0.24 -4.99 120.40 127.96 3i9c s VAL 53 Ca 0.34 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3i9c s VAL 53 Cb -0.16 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.48 3i9c s VAL 53 CO 0.08 0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.58 3i9c n ALA 54 N 1.95 0.00 -1.00 5.51 0.00 -1.26 -2.65 120.51 123.06 3i9c n ALA 54 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3i9c n ALA 54 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3i9c n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9c n GLY 55 N 0.00 -1.21 0.00 0.00 0.00 -1.26 -4.98 105.19 97.74 3i9c n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9c n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9c n GLN 56 N 0.00 3.21 -1.98 1.61 0.00 -1.08 -5.06 117.38 114.07 3i9c n GLN 56 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.00 56.66 3i9c n GLN 56 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.27 3i9c n GLN 56 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 3i9c s GLU 57 N 4.46 3.06 -0.31 2.61 2.02 -1.26 -1.08 118.70 128.19 3i9c s GLU 57 Ca 0.00 1.47 0.02 0.00 0.02 0.00 0.00 54.97 56.47 3i9c s GLU 57 Cb 0.00 -1.98 0.15 0.00 0.10 0.00 0.00 34.13 32.41 3i9c s GLU 57 CO 0.00 -1.06 0.38 0.42 0.02 0.00 0.00 175.26 175.02 3i9c s ILE 58 N -2.12 -0.52 -0.04 -1.63 1.01 0.20 -4.83 121.20 113.27 3i9c s ILE 58 Ca 0.69 -0.48 -0.20 0.00 0.00 0.00 0.00 60.65 60.66 3i9c s ILE 58 Cb -0.22 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 3i9c s ILE 58 CO 0.35 -0.39 0.58 -0.89 0.00 0.00 0.00 174.94 174.59 3i9c s THR 59 N 2.24 5.01 0.35 2.92 2.01 -1.26 -2.43 115.64 124.47 3i9c s THR 59 Ca 0.11 1.19 0.09 0.00 0.31 0.00 0.00 61.69 63.40 3i9c s THR 59 Cb -0.13 -3.91 -0.06 0.00 0.01 0.00 0.00 72.50 68.40 3i9c s THR 59 CO -0.25 0.37 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.65 3i9c s PHE 60 N 0.16 2.47 -0.44 4.92 0.40 -0.67 -4.98 117.98 119.84 3i9c s PHE 60 Ca 0.31 -0.49 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 3i9c s PHE 60 Cb -0.17 -1.46 0.14 0.00 0.51 0.00 0.00 43.02 42.04 3i9c s PHE 60 CO 0.15 0.53 0.27 1.03 0.70 0.00 0.00 175.22 177.90 3i9c s ARG 61 N -3.66 1.20 0.55 0.44 0.52 -1.26 -2.18 118.95 114.55 3i9c s ARG 61 Ca 0.34 -2.01 0.03 0.00 -0.52 0.00 0.00 55.73 53.57 3i9c s ARG 61 Cb 0.02 -2.12 0.03 0.00 0.52 0.00 0.00 34.95 33.40 3i9c s ARG 61 CO 0.18 -1.21 0.25 0.14 0.02 0.00 0.00 175.30 174.68 3i9c s VAL 62 N 0.30 1.32 0.27 3.52 -7.23 -1.06 -3.49 120.40 114.02 3i9c s VAL 62 Ca 0.20 -1.69 -0.14 0.00 -1.81 0.00 0.00 61.98 58.54 3i9c s VAL 62 Cb -0.19 -2.01 -0.08 0.00 0.56 0.00 0.00 36.38 34.66 3i9c s VAL 62 CO -0.04 0.00 0.68 0.00 -0.31 0.00 0.00 175.10 175.43 3i9c s ALA 63 N -2.85 3.41 0.19 1.32 0.00 -1.26 -0.44 121.76 122.14 3i9c s ALA 63 Ca 0.20 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 3i9c s ALA 63 Cb -0.01 -2.68 0.22 0.00 0.00 0.00 0.00 23.12 20.64 3i9c s ALA 63 CO 0.12 0.38 1.75 0.00 0.00 0.00 0.00 175.76 178.02 3i9c h ALA 64 N 2.62 0.70 -0.43 0.00 0.00 -1.54 -1.18 119.26 119.43 3i9c h ALA 64 Ca -0.48 0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.62 3i9c h ALA 64 Cb 1.18 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3i9c h ALA 64 CO 0.66 -0.18 0.70 0.66 0.00 0.00 0.00 179.25 181.09 3i9c h SER 65 N 0.40 0.00 -0.03 0.00 4.64 -1.93 0.25 113.55 116.88 3i9c h SER 65 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3i9c h SER 65 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3i9c h SER 65 CO -0.26 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.11 3i9c n HIS 66 N -3.23 0.05 -0.26 4.77 -0.00 -0.48 -4.78 115.22 111.28 3i9c n HIS 66 Ca 0.08 -0.60 0.07 0.00 -0.00 0.00 0.00 57.72 57.28 3i9c n HIS 66 Cb 0.86 -0.07 0.19 0.00 -0.00 0.00 0.00 29.99 30.97 3i9c n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3i9c h ILE 67 N 0.16 0.38 -0.28 1.59 2.04 -0.57 -1.43 117.51 119.39 3i9c h ILE 67 Ca 0.00 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.86 3i9c h ILE 67 Cb 0.62 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3i9c h ILE 67 CO 0.00 0.03 -0.04 -0.65 0.00 0.00 0.00 178.15 177.50 3i9c h PRO 68 N 0.16 0.04 -1.74 2.37 0.11 -1.86 -1.32 132.00 129.75 3i9c h PRO 68 Ca 0.44 -0.00 0.51 0.00 0.11 0.00 0.00 66.00 67.06 3i9c h PRO 68 Cb 0.81 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.83 3i9c h PRO 68 CO -0.63 0.02 1.24 -0.22 -0.21 0.00 0.00 178.00 178.21 3i9c h LYS 69 N 0.04 0.01 0.48 1.05 1.63 -1.62 0.34 116.57 118.51 3i9c h LYS 69 Ca 0.13 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 3i9c h LYS 69 Cb 0.19 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3i9c h LYS 69 CO -0.26 0.01 -0.23 0.28 -3.45 0.00 0.00 179.45 175.79 3i9c h VAL 70 N 0.01 0.00 -0.06 2.00 2.07 -1.27 -1.94 116.25 117.06 3i9c h VAL 70 Ca 0.85 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 68.27 3i9c h VAL 70 Cb 3.33 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 3i9c h VAL 70 CO -0.06 0.00 0.43 1.88 0.02 0.00 0.00 177.57 179.84 3i9c h TYR 71 N -0.76 0.00 -0.13 1.57 -1.99 -0.50 0.59 116.97 115.75 3i9c h TYR 71 Ca -0.07 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.61 3i9c h TYR 71 Cb 0.50 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.23 3i9c h TYR 71 CO 0.08 0.00 -0.13 1.49 -0.00 0.00 0.00 178.16 179.60 3i9c h GLU 72 N 0.00 0.32 -0.34 4.88 4.57 -0.47 -2.99 114.58 120.55 3i9c h GLU 72 Ca 0.03 -0.17 -0.12 0.00 -1.18 0.00 0.00 59.36 57.92 3i9c h GLU 72 Cb 0.88 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 3i9c h GLU 72 CO -0.00 0.71 -0.29 -0.07 -1.18 0.00 0.00 179.01 178.18 3i9c h LEU 73 N -0.06 0.75 -0.49 1.64 3.38 0.86 -1.45 115.31 119.94 3i9c h LEU 73 Ca 0.02 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3i9c h LEU 73 Cb 0.65 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3i9c h LEU 73 CO 0.03 0.99 0.11 0.52 0.09 0.00 0.00 178.44 180.18 3i9c n VAL 74 N -4.08 1.31 0.41 1.22 0.31 -0.34 -1.83 118.33 115.32 3i9c n VAL 74 Ca -0.01 0.60 -0.05 0.00 -0.01 0.00 0.00 64.34 64.87 3i9c n VAL 74 Cb 0.47 -1.60 0.06 0.00 -0.91 0.00 0.00 33.84 31.85 3i9c n VAL 74 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i9c n GLU 75 N -1.72 1.45 -4.50 5.55 4.07 -0.54 -4.87 120.64 120.07 3i9c n GLU 75 Ca -0.00 -0.83 -0.21 0.00 -0.06 0.00 0.00 57.16 56.06 3i9c n GLU 75 Cb 0.12 -1.38 -0.14 0.00 -0.06 0.00 0.00 31.44 29.98 3i9c n GLU 75 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 3i9c s ARG 76 N -0.98 1.01 -0.05 5.31 1.81 -0.76 -5.10 118.95 120.19 3i9c s ARG 76 Ca 0.15 -0.59 0.01 0.00 -1.72 0.00 0.00 55.73 53.59 3i9c s ARG 76 Cb 0.13 -1.00 0.02 0.00 -0.45 0.00 0.00 34.95 33.65 3i9c s ARG 76 CO 0.03 0.26 -0.06 0.00 -0.68 0.00 0.00 175.30 174.85 3i9c s ALA 77 N -0.53 0.84 0.00 2.13 0.00 -1.26 -5.03 121.76 117.91 3i9c s ALA 77 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.84 3i9c s ALA 77 Cb -0.06 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3i9c s ALA 77 CO 0.00 -0.02 0.00 0.36 0.00 0.00 0.00 175.76 176.10 3i9c n LYS 78 N 4.08 0.00 -0.70 0.00 -0.00 -1.26 -5.06 118.16 115.23 3i9c n LYS 78 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.08 3i9c n LYS 78 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.54 3i9c n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i9c n GLY 79 N 0.00 0.27 3.70 2.58 0.00 -1.26 -5.12 105.19 105.36 3i9c n GLY 79 Ca 0.00 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 3i9c n GLY 79 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i9c n LEU 80 N -0.44 0.00 -1.12 0.99 -0.00 -1.26 -4.98 117.00 110.19 3i9c n LEU 80 Ca 0.00 -2.90 0.00 0.00 -0.00 0.00 0.00 56.01 53.11 3i9c n LEU 80 Cb 0.20 0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 3i9c n LEU 80 CO 0.00 -0.54 0.00 1.17 -0.00 0.00 0.00 177.39 178.02 3i9c n LYS 81 N -1.62 0.00 0.00 1.47 0.00 -1.26 -5.02 118.16 111.72 3i9c n LYS 81 Ca -0.07 0.35 0.00 0.00 0.00 0.00 0.00 58.31 58.59 3i9c n LYS 81 Cb 0.62 -1.12 0.00 0.00 0.00 0.00 0.00 35.03 34.53 3i9c n LYS 81 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 3i9c n LEU 82 N -0.77 0.00 -4.32 3.14 -0.00 -1.26 -5.05 117.00 108.74 3i9c n LEU 82 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.81 3i9c n LEU 82 Cb 0.37 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.69 3i9c n LEU 82 CO 0.00 0.00 -0.46 -1.83 -0.00 0.00 0.00 177.39 175.10 3i9c s GLU 83 N 2.12 1.24 0.09 1.47 1.03 -1.26 -5.01 118.70 118.37 3i9c s GLU 83 Ca 0.00 -1.44 0.05 0.00 0.03 0.00 0.00 54.97 53.61 3i9c s GLU 83 Cb 0.00 -1.15 0.31 0.00 -0.80 0.00 0.00 34.13 32.49 3i9c s GLU 83 CO 0.00 0.21 0.36 0.41 -1.33 0.00 0.00 175.26 174.92 3i9c n GLY 84 N 0.07 -0.17 2.61 -3.83 0.00 -1.26 -2.65 105.19 99.95 3i9c n GLY 84 Ca -0.12 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3i9c n GLY 84 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i9c n LEU 85 N -3.49 7.58 0.09 0.99 0.00 -1.26 -4.41 117.00 116.49 3i9c n LEU 85 Ca 0.09 -5.08 0.12 0.00 0.00 0.00 0.00 56.01 51.14 3i9c n LEU 85 Cb 0.30 -1.29 0.07 0.00 0.00 0.00 0.00 43.42 42.50 3i9c n LEU 85 CO 0.00 1.98 0.17 0.77 0.00 0.00 0.00 177.39 180.31 3i9c h SER 86 N 4.61 0.00 -1.39 1.96 4.64 -1.93 -3.35 113.55 118.09 3i9c h SER 86 Ca 0.58 -0.11 0.41 0.00 -0.47 0.00 0.00 61.79 62.20 3i9c h SER 86 Cb 0.36 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.37 3i9c h SER 86 CO 1.37 0.05 0.96 -0.65 -0.87 0.00 0.00 176.83 177.70 3i9c h PRO 87 N 0.00 0.08 0.00 4.77 0.11 -1.90 0.60 132.00 135.66 3i9c h PRO 87 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3i9c h PRO 87 Cb 0.88 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3i9c h PRO 87 CO 0.00 0.05 0.00 1.63 -0.21 0.00 0.00 178.00 179.47 3i9c n LYS 88 N -4.30 0.00 0.21 1.05 5.02 -1.26 -0.75 118.16 118.13 3i9c n LYS 88 Ca 0.33 0.64 0.16 0.00 -2.02 0.00 0.00 58.31 57.42 3i9c n LYS 88 Cb 1.42 -1.44 0.82 0.00 -0.02 0.00 0.00 35.03 35.80 3i9c n LYS 88 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3i9c h GLU 89 N 0.00 0.00 -0.83 1.97 4.57 -0.90 0.81 114.58 120.21 3i9c h GLU 89 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3i9c h GLU 89 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3i9c h GLU 89 CO 0.00 0.00 0.00 1.51 -1.18 0.00 0.00 179.01 179.34 3i9c n ILE 90 N -3.91 0.00 -1.54 2.32 0.00 0.18 -4.86 119.36 111.55 3i9c n ILE 90 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 62.75 62.40 3i9c n ILE 90 Cb 0.29 -0.42 0.09 0.00 0.00 0.00 0.00 39.64 39.60 3i9c n ILE 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3i9c n LYS 91 N 0.03 0.82 0.00 9.51 3.00 0.28 -4.72 118.16 127.08 3i9c n LYS 91 Ca 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 3i9c n LYS 91 Cb 0.21 -2.49 0.00 0.00 0.00 0.00 0.00 35.03 32.75 3i9c n LYS 91 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3i9c n LYS 92 N -2.27 0.00 -2.89 1.64 5.02 -1.26 -4.77 118.16 113.63 3i9c n LYS 92 Ca 0.15 0.04 -0.01 0.00 -2.02 0.00 0.00 58.31 56.47 3i9c n LYS 92 Cb 0.49 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 33.88 3i9c n LYS 92 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3i9c n GLU 93 N -0.78 -2.45 -0.37 1.97 0.28 -1.26 -4.91 120.64 113.12 3i9c n GLU 93 Ca 0.00 2.10 0.07 0.00 -0.16 0.00 0.00 57.16 59.17 3i9c n GLU 93 Cb 0.11 -3.33 0.24 0.00 1.43 0.00 0.00 31.44 29.89 3i9c n GLU 93 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 3i9c n LEU 94 N 1.38 3.17 -3.79 -1.84 -0.00 -1.26 -4.73 117.00 109.94 3i9c n LEU 94 Ca -0.09 -1.60 -0.28 0.00 -0.00 0.00 0.00 56.01 54.04 3i9c n LEU 94 Cb 0.28 -0.43 -0.12 0.00 -0.00 0.00 0.00 43.42 43.15 3i9c n LEU 94 CO 0.24 0.61 -0.14 -0.76 -0.00 0.00 0.00 177.39 177.34 3i9c s LEU 95 N -1.29 3.79 0.00 1.47 2.01 -1.26 -5.00 118.68 118.40 3i9c s LEU 95 Ca 0.34 -3.39 0.00 0.00 0.01 0.00 0.00 54.13 51.09 3i9c s LEU 95 Cb 0.21 -1.32 0.00 0.00 0.01 0.00 0.00 46.19 45.09 3i9c s LEU 95 CO 0.19 -0.15 0.00 0.29 1.01 0.00 0.00 176.35 177.69 3i9c n LYS 96 N 2.55 0.00 0.00 1.70 5.02 -1.26 -5.11 118.16 121.06 3i9c n LYS 96 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3i9c n LYS 96 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 3i9c n LYS 96 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3i9c n LEU 97 N 0.00 0.00 0.00 -0.35 -0.00 -1.26 -5.10 117.00 110.29 3i9c n LEU 97 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i9c n LEU 97 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i9c n LEU 97 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39