#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2go8 h PHE 4 N 0.00 -0.05 -3.63 -0.67 -0.00 -2.03 -3.46 116.94 107.11 2go8 h PHE 4 Ca 0.00 -0.00 -0.53 0.00 -0.00 0.00 0.00 57.97 57.44 2go8 h PHE 4 Cb 0.00 0.02 0.08 0.00 -0.00 0.00 0.00 35.95 36.05 2go8 h PHE 4 CO 0.00 0.27 0.79 -0.51 -0.00 0.00 0.00 178.31 178.86 2go8 s LEU 5 N -8.53 4.35 0.08 0.59 1.43 -1.26 -4.73 118.68 110.61 2go8 s LEU 5 Ca -0.07 2.90 -0.30 0.00 -1.03 0.00 0.00 54.13 55.63 2go8 s LEU 5 Cb -0.01 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 2go8 s LEU 5 CO 0.24 -0.81 0.98 -0.44 0.23 0.00 0.00 176.35 176.55 2go8 s SER 6 N 0.11 7.44 -0.87 2.29 0.01 -1.26 -4.96 113.70 116.46 2go8 s SER 6 Ca 0.57 1.77 -0.18 0.00 1.31 0.00 0.00 55.95 59.42 2go8 s SER 6 Cb -0.45 -2.58 0.14 0.00 0.21 0.00 0.00 66.02 63.34 2go8 s SER 6 CO 0.53 -0.14 1.01 -0.54 0.41 0.00 0.00 173.24 174.50 2go8 s LYS 7 N 0.33 3.53 0.22 12.44 -0.14 -1.26 -5.00 119.74 129.86 2go8 s LYS 7 Ca 0.49 -1.82 -0.08 0.00 -1.36 0.00 0.00 55.97 53.20 2go8 s LYS 7 Cb -0.23 -4.73 -0.07 0.00 -1.68 0.00 0.00 37.83 31.13 2go8 s LYS 7 CO 0.29 -1.66 0.52 0.95 -0.76 0.00 0.00 175.35 174.70 2go8 s THR 8 N 2.24 4.98 1.16 2.17 -4.23 -1.26 -5.00 115.64 115.70 2go8 s THR 8 Ca 0.27 0.37 -0.16 0.00 -1.18 0.00 0.00 61.69 60.99 2go8 s THR 8 Cb -0.08 -3.62 0.26 0.00 1.34 0.00 0.00 72.50 70.40 2go8 s THR 8 CO -0.07 -0.07 1.07 -2.16 -0.54 0.00 0.00 174.62 172.86 2go8 s PRO 9 N -2.83 -0.84 0.31 3.99 0.04 -1.26 -4.97 135.00 129.43 2go8 s PRO 9 Ca 0.46 0.25 -0.29 0.00 0.04 0.00 0.00 61.00 61.46 2go8 s PRO 9 Cb -0.11 -1.61 -0.10 0.00 0.04 0.00 0.00 34.50 32.71 2go8 s PRO 9 CO 0.22 -3.53 1.35 -1.21 0.04 0.00 0.00 177.00 173.88 2go8 s GLU 10 N -5.10 4.32 0.85 4.56 2.02 -1.26 -4.95 118.70 119.14 2go8 s GLU 10 Ca 0.68 2.25 -0.14 0.00 0.02 0.00 0.00 54.97 57.79 2go8 s GLU 10 Cb -0.15 -3.08 0.01 0.00 0.10 0.00 0.00 34.13 31.01 2go8 s GLU 10 CO 0.58 -0.27 0.53 -2.30 0.02 0.00 0.00 175.26 173.82 2go8 n PRO 11 N 1.25 -0.02 -2.91 0.39 -0.02 -1.26 -4.64 135.00 127.79 2go8 n PRO 11 Ca 0.02 0.05 -0.28 0.00 -2.02 0.00 0.00 63.50 61.26 2go8 n PRO 11 Cb 0.41 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 2go8 n PRO 11 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2go8 s PRO 12 N -3.36 3.64 0.24 0.52 0.04 -1.26 -5.05 135.00 129.77 2go8 s PRO 12 Ca 0.62 0.21 -0.19 0.00 0.04 0.00 0.00 61.00 61.68 2go8 s PRO 12 Cb -0.27 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 31.84 2go8 s PRO 12 CO 0.62 -0.04 0.62 1.52 0.04 0.00 0.00 177.00 179.76 2go8 s TYR 13 N -2.45 -0.13 0.25 0.56 1.13 -1.16 -5.01 117.35 110.54 2go8 s TYR 13 Ca 0.47 -0.26 0.08 0.00 -1.41 0.00 0.00 57.07 55.95 2go8 s TYR 13 Cb -0.10 0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 41.25 2go8 s TYR 13 CO 0.37 -1.08 0.13 0.71 -2.51 0.00 0.00 175.55 173.16 2go8 s TYR 14 N -3.90 2.98 -0.03 -3.49 2.02 0.21 -0.51 117.35 114.64 2go8 s TYR 14 Ca 0.11 -0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 2go8 s TYR 14 Cb -0.03 -1.35 0.01 0.00 -0.40 0.00 0.00 41.96 40.19 2go8 s TYR 14 CO 0.03 0.55 -0.05 0.00 -1.57 0.00 0.00 175.55 174.51 2go8 s ALA 15 N -2.14 0.60 -0.39 3.71 0.00 0.09 -0.75 121.76 122.87 2go8 s ALA 15 Ca 0.32 -0.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.10 2go8 s ALA 15 Cb -0.08 -0.31 0.07 0.00 0.00 0.00 0.00 23.12 22.81 2go8 s ALA 15 CO 0.23 0.04 0.20 0.08 0.00 0.00 0.00 175.76 176.31 2go8 s VAL 16 N 0.54 3.85 -0.39 0.00 1.01 0.88 -0.89 120.40 125.41 2go8 s VAL 16 Ca -0.07 -1.47 -0.21 0.00 0.00 0.00 0.00 61.98 60.23 2go8 s VAL 16 Cb -0.10 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.92 2go8 s VAL 16 CO -0.00 -0.44 0.68 -0.63 0.00 0.00 0.00 175.10 174.70 2go8 s ILE 17 N 1.35 4.83 -0.35 2.22 1.09 0.18 -1.61 121.20 128.91 2go8 s ILE 17 Ca 0.02 0.51 -0.04 0.00 -1.10 0.00 0.00 60.65 60.04 2go8 s ILE 17 Cb -0.22 -4.15 0.06 0.00 -1.06 0.00 0.00 42.46 37.09 2go8 s ILE 17 CO 0.01 -0.44 0.11 0.12 -0.10 0.00 0.00 174.94 174.64 2go8 s PHE 18 N 2.86 3.35 -0.23 3.97 2.19 0.24 -1.09 117.98 129.26 2go8 s PHE 18 Ca 0.26 -1.82 -0.07 0.00 0.33 0.00 0.00 56.93 55.62 2go8 s PHE 18 Cb -0.14 -2.53 -0.03 0.00 -1.31 0.00 0.00 43.02 39.01 2go8 s PHE 18 CO 0.17 -0.83 0.07 -1.12 1.83 0.00 0.00 175.22 175.34 2go8 s SER 19 N 1.54 5.24 0.07 6.13 0.01 -0.39 -0.89 113.70 125.42 2go8 s SER 19 Ca 0.00 -0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.15 2go8 s SER 19 Cb -0.21 -1.93 -0.03 0.00 0.21 0.00 0.00 66.02 64.06 2go8 s SER 19 CO -0.00 0.01 -0.10 -0.94 0.41 0.00 0.00 173.24 172.62 2go8 s SER 20 N 1.33 1.33 -0.13 2.44 1.04 0.51 -0.86 113.70 119.36 2go8 s SER 20 Ca 0.05 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 55.81 2go8 s SER 20 Cb -0.15 0.00 0.01 0.00 0.10 0.00 0.00 66.02 65.99 2go8 s SER 20 CO 0.04 -0.20 -0.19 -0.69 0.98 0.00 0.00 173.24 173.17 2go8 s VAL 21 N -1.87 1.86 0.17 5.02 1.01 -0.11 -0.44 120.40 126.04 2go8 s VAL 21 Ca -0.01 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 60.84 2go8 s VAL 21 Cb -0.07 -1.67 -0.08 0.00 0.00 0.00 0.00 36.38 34.57 2go8 s VAL 21 CO 0.01 0.51 0.86 -0.54 0.00 0.00 0.00 175.10 175.94 2go8 s LYS 22 N 0.92 4.68 0.14 2.72 1.02 -0.17 -0.66 119.74 128.38 2go8 s LYS 22 Ca -0.06 1.31 -0.30 0.00 0.02 0.00 0.00 55.97 56.94 2go8 s LYS 22 Cb -0.15 -3.30 -0.06 0.00 -0.52 0.00 0.00 37.83 33.80 2go8 s LYS 22 CO -0.03 0.46 1.56 0.77 -0.92 0.00 0.00 175.35 177.19 2go8 h SER 23 N 4.65 -1.64 0.00 2.83 0.02 -1.92 -3.41 113.55 114.08 2go8 h SER 23 Ca -0.45 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2go8 h SER 23 Cb 1.20 0.69 0.00 0.00 0.14 0.00 0.00 62.40 64.43 2go8 h SER 23 CO 0.68 -0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 2go8 n GLY 30 N -1.40 -2.21 0.18 -3.77 0.00 -1.26 -4.97 105.19 91.75 2go8 n GLY 30 Ca -0.03 0.77 -0.04 0.00 0.00 0.00 0.00 46.02 46.72 2go8 n GLY 30 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2go8 h GLU 31 N 0.00 0.25 -0.00 1.61 4.22 -2.06 -2.76 114.58 115.83 2go8 h GLU 31 Ca 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.29 2go8 h GLU 31 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2go8 h GLU 31 CO 0.00 0.73 -0.13 -2.37 -2.18 0.00 0.00 179.01 175.06 2go8 n THR 32 N -3.92 0.00 0.13 0.32 5.66 -1.26 -1.42 114.28 113.79 2go8 n THR 32 Ca -0.02 -0.07 0.01 0.00 -3.05 0.00 0.00 64.05 60.92 2go8 n THR 32 Cb 0.58 -0.01 0.35 0.00 -1.55 0.00 0.00 70.33 69.69 2go8 n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2go8 h ALA 33 N 3.63 1.39 0.00 1.79 0.00 -2.00 -2.56 119.26 121.51 2go8 h ALA 33 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2go8 h ALA 33 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2go8 h ALA 33 CO 0.00 0.43 -0.06 -0.85 0.00 0.00 0.00 179.25 178.77 2go8 n GLU 34 N -4.18 0.21 -0.56 0.00 0.28 -0.51 -2.55 120.64 113.33 2go8 n GLU 34 Ca -0.01 0.16 -0.06 0.00 -0.16 0.00 0.00 57.16 57.09 2go8 n GLU 34 Cb 0.35 -1.73 0.02 0.00 1.43 0.00 0.00 31.44 31.51 2go8 n GLU 34 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2go8 n ARG 35 N -2.08 1.28 0.00 3.44 0.63 -0.97 -2.55 116.66 116.42 2go8 n ARG 35 Ca 0.06 -0.57 0.00 0.00 -0.92 0.00 0.00 57.85 56.42 2go8 n ARG 35 Cb 0.41 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 32.10 2go8 n ARG 35 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2go8 n VAL 37 N 0.91 0.00 -0.26 5.15 0.31 -1.06 -2.20 118.33 121.18 2go8 n VAL 37 Ca 0.11 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2go8 n VAL 37 Cb 0.56 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 33.70 2go8 n VAL 37 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2go8 h SER 38 N 0.00 0.95 -0.49 4.52 0.02 -1.81 -2.12 113.55 114.61 2go8 h SER 38 Ca 0.00 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2go8 h SER 38 Cb 0.00 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2go8 h SER 38 CO 0.00 0.70 0.28 0.25 -1.14 0.00 0.00 176.83 176.91 2go8 h LEU 39 N 1.11 0.61 0.47 5.07 7.12 -1.74 -1.34 115.31 126.61 2go8 h LEU 39 Ca 0.30 -0.08 -0.02 0.00 0.13 0.00 0.00 57.88 58.21 2go8 h LEU 39 Cb -0.11 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 39.86 2go8 h LEU 39 CO -0.06 0.52 -0.25 0.00 -0.13 0.00 0.00 178.44 178.51 2go8 h ALA 40 N 1.12 -0.67 -1.06 1.25 0.00 -1.68 -2.34 119.26 115.87 2go8 h ALA 40 Ca 0.17 -0.14 0.29 0.00 0.00 0.00 0.00 54.91 55.23 2go8 h ALA 40 Cb 0.04 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 2go8 h ALA 40 CO -0.03 -0.88 0.72 0.00 0.00 0.00 0.00 179.25 179.05 2go8 h ALA 41 N -0.15 2.55 0.00 0.00 0.00 -1.27 0.07 119.26 120.45 2go8 h ALA 41 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2go8 h ALA 41 Cb 0.53 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2go8 h ALA 41 CO 0.08 -0.92 -0.15 -0.44 0.00 0.00 0.00 179.25 177.82 2go8 h ASP 42 N 0.24 0.00 -4.27 0.00 3.45 -0.69 -3.47 116.42 111.68 2go8 h ASP 42 Ca 0.57 -0.03 -0.51 0.00 0.43 0.00 0.00 57.03 57.49 2go8 h ASP 42 Cb 1.74 0.00 0.10 0.00 -0.56 0.00 0.00 39.33 40.61 2go8 h ASP 42 CO -0.18 0.01 0.36 -1.10 -1.57 0.00 0.00 179.24 176.76 2go8 s GLN 43 N -3.17 2.81 0.22 3.56 -1.52 0.01 -4.99 119.66 116.57 2go8 s GLN 43 Ca 0.08 1.16 -0.30 0.00 -1.95 0.00 0.00 55.36 54.35 2go8 s GLN 43 Cb 0.09 -1.97 -0.09 0.00 -0.22 0.00 0.00 33.01 30.83 2go8 s GLN 43 CO 0.65 -1.22 1.23 -1.25 -0.25 0.00 0.00 175.29 174.46 2go8 s PRO 44 N -4.59 4.46 0.00 2.91 0.04 -1.26 -2.77 135.00 133.80 2go8 s PRO 44 Ca 0.62 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.62 2go8 s PRO 44 Cb -0.17 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2go8 s PRO 44 CO 0.48 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.83 2go8 n GLY 45 N 1.91 0.89 3.70 0.56 0.00 -1.26 -4.86 105.19 106.13 2go8 n GLY 45 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2go8 n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2go8 s PHE 46 N -3.56 3.32 -0.06 1.61 5.36 -1.11 -1.35 117.98 122.19 2go8 s PHE 46 Ca 0.00 1.28 0.21 0.00 -0.96 0.00 0.00 56.93 57.46 2go8 s PHE 46 Cb 0.00 -3.40 -0.32 0.00 -0.34 0.00 0.00 43.02 38.96 2go8 s PHE 46 CO 0.00 -1.23 0.47 1.28 -1.46 0.00 0.00 175.22 174.29 2go8 n LEU 47 N 4.58 0.03 0.00 6.12 4.77 0.11 -4.94 117.00 127.67 2go8 n LEU 47 Ca 0.10 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2go8 n LEU 47 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2go8 n LEU 47 CO 0.55 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2go8 n GLY 48 N 1.32 0.95 3.35 -0.72 0.00 -1.20 -4.68 105.19 104.21 2go8 n GLY 48 Ca -0.04 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 2go8 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2go8 s VAL 49 N -1.70 0.00 -0.18 1.61 0.11 -1.26 -1.29 120.40 117.69 2go8 s VAL 49 Ca 0.00 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 2go8 s VAL 49 Cb 0.00 -0.63 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 2go8 s VAL 49 CO 0.00 -0.01 -0.19 -1.61 -3.33 0.00 0.00 175.10 169.97 2go8 s GLU 50 N 0.19 2.85 -0.04 1.54 2.02 0.10 -4.77 118.70 120.58 2go8 s GLU 50 Ca -0.00 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.18 2go8 s GLU 50 Cb -0.03 -2.55 -0.00 0.00 0.10 0.00 0.00 34.13 31.65 2go8 s GLU 50 CO 0.01 -0.24 -0.16 0.45 0.02 0.00 0.00 175.26 175.34 2go8 s SER 51 N 1.30 1.99 -0.10 -0.19 0.15 -1.26 -0.71 113.70 114.88 2go8 s SER 51 Ca 0.04 -0.32 -0.07 0.00 0.70 0.00 0.00 55.95 56.29 2go8 s SER 51 Cb -0.14 -0.53 0.03 0.00 -1.71 0.00 0.00 66.02 63.67 2go8 s SER 51 CO -0.12 0.14 0.24 0.54 1.20 0.00 0.00 173.24 175.24 2go8 s VAL 52 N 0.04 -0.02 -0.11 4.45 0.11 -0.85 -5.03 120.40 119.00 2go8 s VAL 52 Ca -0.03 0.06 -0.04 0.00 -2.93 0.00 0.00 61.98 59.04 2go8 s VAL 52 Cb -0.11 -0.36 0.05 0.00 -1.53 0.00 0.00 36.38 34.44 2go8 s VAL 52 CO 0.02 0.02 0.15 -0.60 -3.33 0.00 0.00 175.10 171.37 2go8 s ARG 53 N 0.57 0.05 0.74 1.54 6.06 -1.26 -1.81 118.95 124.83 2go8 s ARG 53 Ca -0.04 0.44 -0.10 0.00 -2.50 0.00 0.00 55.73 53.53 2go8 s ARG 53 Cb -0.05 -0.57 0.05 0.00 0.06 0.00 0.00 34.95 34.44 2go8 s ARG 53 CO -0.03 -0.39 1.10 -1.21 -2.50 0.00 0.00 175.30 172.26 2go8 s GLU 54 N 2.27 2.39 0.14 5.12 2.02 0.68 -5.00 118.70 126.32 2go8 s GLU 54 Ca 0.04 0.14 -0.31 0.00 0.02 0.00 0.00 54.97 54.86 2go8 s GLU 54 Cb -0.13 -2.05 -0.10 0.00 0.10 0.00 0.00 34.13 31.96 2go8 s GLU 54 CO -0.07 -1.26 1.53 0.00 0.02 0.00 0.00 175.26 175.48 2go8 h ALA 55 N -0.76 -0.70 0.00 5.21 0.00 -2.02 -2.48 119.26 118.52 2go8 h ALA 55 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2go8 h ALA 55 Cb 1.30 1.19 0.00 0.00 0.00 0.00 0.00 17.79 20.28 2go8 h ALA 55 CO 0.64 -1.01 0.00 -0.40 0.00 0.00 0.00 179.25 178.48 2go8 n ASP 56 N -5.26 0.00 0.00 0.00 5.75 -1.26 -4.83 116.55 110.95 2go8 n ASP 56 Ca -0.02 -0.33 0.00 0.00 -0.01 0.00 0.00 54.79 54.43 2go8 n ASP 56 Cb 0.31 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 2go8 n ASP 56 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2go8 n GLY 57 N -0.38 0.98 3.74 6.12 0.00 -0.93 -4.80 105.19 109.91 2go8 n GLY 57 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2go8 n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2go8 s ARG 58 N -0.82 4.60 -0.13 1.61 0.52 -1.26 -1.00 118.95 122.48 2go8 s ARG 58 Ca 0.00 1.72 -0.24 0.00 -0.52 0.00 0.00 55.73 56.69 2go8 s ARG 58 Cb 0.00 -3.27 0.06 0.00 0.52 0.00 0.00 34.95 32.26 2go8 s ARG 58 CO 0.00 0.10 0.59 0.20 0.02 0.00 0.00 175.30 176.21 2go8 s GLY 59 N -0.21 -0.45 -0.07 -3.53 0.00 0.41 -0.23 107.32 103.24 2go8 s GLY 59 Ca 0.49 1.34 0.02 0.00 0.00 0.00 0.00 44.72 46.56 2go8 s GLY 59 CO 0.35 1.06 -0.11 -0.42 0.00 0.00 0.00 173.10 173.98 2go8 s ILE 60 N -0.52 1.10 -0.11 0.90 -1.09 -0.75 -0.36 121.20 120.37 2go8 s ILE 60 Ca -0.06 -0.44 -0.00 0.00 -2.23 0.00 0.00 60.65 57.92 2go8 s ILE 60 Cb -0.03 -1.02 0.02 0.00 -1.58 0.00 0.00 42.46 39.85 2go8 s ILE 60 CO 0.05 0.35 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.13 2go8 s THR 61 N 0.83 1.08 -0.09 2.92 2.01 -0.07 -2.01 115.64 120.33 2go8 s THR 61 Ca -0.11 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.58 2go8 s THR 61 Cb -0.15 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 2go8 s THR 61 CO 0.02 0.38 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.46 2go8 s VAL 62 N 1.60 2.78 -0.03 3.82 1.01 0.11 -0.60 120.40 129.10 2go8 s VAL 62 Ca 0.03 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.29 2go8 s VAL 62 Cb -0.13 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 2go8 s VAL 62 CO -0.07 0.56 -0.25 -0.94 0.00 0.00 0.00 175.10 174.40 2go8 s SER 63 N -0.12 3.14 -0.11 3.32 1.04 -0.63 -0.73 113.70 119.60 2go8 s SER 63 Ca -0.02 -0.45 -0.03 0.00 0.48 0.00 0.00 55.95 55.92 2go8 s SER 63 Cb -0.14 -0.47 -0.03 0.00 0.10 0.00 0.00 66.02 65.48 2go8 s SER 63 CO 0.04 0.31 0.00 -0.31 0.98 0.00 0.00 173.24 174.26 2go8 s TYR 64 N -0.54 3.14 0.05 5.02 2.02 -0.41 -0.09 117.35 126.54 2go8 s TYR 64 Ca 0.08 0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.88 2go8 s TYR 64 Cb -0.11 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 2go8 s TYR 64 CO -0.00 0.32 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.63 2go8 s TRP 65 N -0.46 0.81 -0.33 2.71 0.52 0.07 0.06 118.94 122.32 2go8 s TRP 65 Ca 0.08 -0.50 0.26 0.00 0.02 0.00 0.00 56.10 55.97 2go8 s TRP 65 Cb -0.12 -0.47 0.67 0.00 -1.15 0.00 0.00 33.47 32.39 2go8 s TRP 65 CO 0.02 -0.05 1.72 0.38 0.02 0.00 0.00 176.95 179.05 2go8 h ASP 66 N 4.42 0.00 0.00 2.95 3.04 -1.52 0.61 116.42 125.92 2go8 h ASP 66 Ca -0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.42 2go8 h ASP 66 Cb 1.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 2go8 h ASP 66 CO 0.41 0.00 0.00 -1.54 -2.04 0.00 0.00 179.24 176.07 2go8 n SER 67 N -2.99 1.57 0.00 4.15 3.41 -1.26 -4.71 113.62 113.80 2go8 n SER 67 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2go8 n SER 67 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2go8 n SER 67 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2go8 n ASP 69 N 0.00 0.00 0.19 4.04 4.64 -1.26 -2.65 116.55 121.51 2go8 n ASP 69 Ca 0.00 0.00 0.07 0.00 -1.38 0.00 0.00 54.79 53.48 2go8 n ASP 69 Cb 0.00 0.00 0.20 0.00 -1.04 0.00 0.00 41.12 40.28 2go8 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2go8 h ALA 70 N 0.00 0.85 0.00 -1.67 0.00 -1.93 -3.06 119.26 113.45 2go8 h ALA 70 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2go8 h ALA 70 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2go8 h ALA 70 CO 0.00 0.36 -0.64 0.82 0.00 0.00 0.00 179.25 179.79 2go8 h ILE 71 N 0.00 0.62 0.00 0.00 2.04 -1.85 -3.25 117.51 115.08 2go8 h ILE 71 Ca -0.00 -1.94 -0.12 0.00 1.00 0.00 0.00 64.86 63.80 2go8 h ILE 71 Cb 1.09 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 39.39 2go8 h ILE 71 CO 0.04 0.36 -0.66 0.78 0.00 0.00 0.00 178.15 178.66 2go8 h ASN 72 N 0.00 0.00 0.01 1.72 2.35 -1.84 -1.53 115.58 116.29 2go8 h ASN 72 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2go8 h ASN 72 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.72 2go8 h ASN 72 CO 0.05 0.55 -0.01 1.41 -1.65 0.00 0.00 177.43 177.77 2go8 n HIS 73 N -3.19 0.00 -0.11 1.19 8.25 -1.20 -1.27 115.22 118.88 2go8 n HIS 73 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 2go8 n HIS 73 Cb 0.76 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.79 2go8 n HIS 73 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 2go8 n TRP 74 N -0.09 0.00 0.22 4.41 -0.00 -1.16 -3.14 117.44 117.68 2go8 n TRP 74 Ca 0.19 0.00 0.16 0.00 -0.00 0.00 0.00 57.50 57.86 2go8 n TRP 74 Cb 0.31 -0.76 0.84 0.00 -0.00 0.00 0.00 31.31 31.70 2go8 n TRP 74 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 177.69 177.60 2go8 h ARG 75 N -0.95 0.00 -0.01 5.87 9.65 -1.35 -2.76 114.38 124.82 2go8 h ARG 75 Ca -0.40 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.45 2go8 h ARG 75 Cb 1.33 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.91 2go8 h ARG 75 CO -0.24 0.00 -0.09 1.25 2.80 0.00 0.00 179.97 183.69 2go8 h HIS 76 N 0.00 0.12 0.00 2.20 2.76 -1.34 -3.26 115.15 115.63 2go8 h HIS 76 Ca 0.07 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2go8 h HIS 76 Cb 0.38 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.32 2go8 h HIS 76 CO 0.00 0.76 0.00 1.58 -1.30 0.00 0.00 177.93 178.97 2go8 n HIS 77 N -4.67 0.00 0.00 5.26 -0.00 -1.06 -5.05 115.22 109.70 2go8 n HIS 77 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 2go8 n HIS 77 Cb 0.39 -0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.17 2go8 n HIS 77 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2go8 n THR 78 N -1.21 0.00 0.00 3.57 -1.04 -1.09 -5.09 114.28 109.41 2go8 n THR 78 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2go8 n THR 78 Cb 0.15 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 2go8 n THR 78 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2go8 n TYR 92 N -0.16 0.00 0.09 -1.42 4.01 -1.26 -5.06 117.16 113.37 2go8 n TYR 92 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.75 2go8 n TYR 92 Cb 0.00 0.00 0.32 0.00 -0.31 0.00 0.00 39.34 39.35 2go8 n TYR 92 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2go8 h GLU 93 N 0.00 0.28 -2.13 -0.72 4.81 -1.13 -3.45 114.58 112.24 2go8 h GLU 93 Ca 0.00 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2go8 h GLU 93 Cb 0.00 -0.03 -0.17 0.00 0.63 0.00 0.00 28.75 29.18 2go8 h GLU 93 CO 0.00 0.48 0.43 -1.54 -0.73 0.00 0.00 179.01 177.65 2go8 s SER 94 N -6.86 -0.43 0.20 1.04 1.04 -1.19 -5.01 113.70 102.49 2go8 s SER 94 Ca -0.05 0.20 -0.21 0.00 0.48 0.00 0.00 55.95 56.37 2go8 s SER 94 Cb 0.15 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.72 2go8 s SER 94 CO 0.75 -0.58 0.60 -0.72 0.98 0.00 0.00 173.24 174.27 2go8 s TYR 95 N -2.39 -0.35 -0.05 5.02 -0.85 -1.26 -0.94 117.35 116.53 2go8 s TYR 95 Ca 0.01 0.04 -0.04 0.00 -0.52 0.00 0.00 57.07 56.55 2go8 s TYR 95 Cb -0.01 0.55 0.02 0.00 0.38 0.00 0.00 41.96 42.90 2go8 s TYR 95 CO -0.04 -0.95 0.14 0.00 -1.52 0.00 0.00 175.55 173.17 2go8 s ALA 96 N -3.82 -0.31 -0.17 9.51 0.00 -0.04 -4.98 121.76 121.94 2go8 s ALA 96 Ca 0.05 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.47 2go8 s ALA 96 Cb -0.02 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.85 2go8 s ALA 96 CO -0.06 -0.09 -0.17 0.08 0.00 0.00 0.00 175.76 175.52 2go8 s VAL 97 N 0.34 1.90 -0.08 0.00 1.01 -1.26 -1.26 120.40 121.06 2go8 s VAL 97 Ca -0.02 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2go8 s VAL 97 Cb -0.03 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.60 2go8 s VAL 97 CO -0.01 0.48 -0.15 -0.13 0.00 0.00 0.00 175.10 175.28 2go8 s ARG 98 N 1.34 2.05 -0.15 2.72 0.52 -0.25 -4.99 118.95 120.20 2go8 s ARG 98 Ca 0.04 -0.53 -0.03 0.00 -0.52 0.00 0.00 55.73 54.69 2go8 s ARG 98 Cb -0.13 -1.65 -0.03 0.00 0.52 0.00 0.00 34.95 33.66 2go8 s ARG 98 CO -0.12 0.06 -0.04 0.54 0.02 0.00 0.00 175.30 175.75 2go8 s VAL 99 N 0.61 3.84 0.08 3.52 0.11 -1.26 -0.65 120.40 126.66 2go8 s VAL 99 Ca -0.15 -0.38 0.03 0.00 -2.93 0.00 0.00 61.98 58.56 2go8 s VAL 99 Cb -0.16 -2.68 -0.03 0.00 -1.53 0.00 0.00 36.38 31.98 2go8 s VAL 99 CO 0.05 0.50 -0.09 0.00 -3.33 0.00 0.00 175.10 172.22 2go8 s ALA 100 N 0.33 0.96 -0.35 1.54 0.00 -0.07 -4.99 121.76 119.18 2go8 s ALA 100 Ca -0.04 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 2go8 s ALA 100 Cb -0.14 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.02 2go8 s ALA 100 CO 0.03 -0.04 0.22 0.21 0.00 0.00 0.00 175.76 176.19 2go8 s LYS 101 N -2.49 3.19 -0.21 0.00 2.20 -1.26 -0.74 119.74 120.43 2go8 s LYS 101 Ca 0.01 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.49 2go8 s LYS 101 Cb -0.04 -3.76 -0.00 0.00 -1.51 0.00 0.00 37.83 32.51 2go8 s LYS 101 CO -0.00 -0.56 1.21 0.08 -0.36 0.00 0.00 175.35 175.72 2go8 s VAL 102 N 1.65 4.36 -1.23 4.02 1.01 0.34 -4.90 120.40 125.65 2go8 s VAL 102 Ca 0.05 1.63 0.10 0.00 0.00 0.00 0.00 61.98 63.76 2go8 s VAL 102 Cb -0.18 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.15 2go8 s VAL 102 CO 0.08 -0.22 0.79 -0.90 0.00 0.00 0.00 175.10 174.86 2go8 n ASP 103 N 6.72 1.75 -3.73 3.32 5.75 -1.26 -2.98 116.55 126.12 2go8 n ASP 103 Ca 0.13 -1.38 -0.13 0.00 -0.01 0.00 0.00 54.79 53.41 2go8 n ASP 103 Cb 0.45 0.08 -0.10 0.00 -1.03 0.00 0.00 41.12 40.53 2go8 n ASP 103 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2go8 s ARG 104 N -0.95 0.52 -0.00 0.11 3.52 -1.26 -4.82 118.95 116.06 2go8 s ARG 104 Ca 0.11 0.50 -0.14 0.00 -0.13 0.00 0.00 55.73 56.07 2go8 s ARG 104 Cb 0.09 0.25 0.02 0.00 -1.56 0.00 0.00 34.95 33.75 2go8 s ARG 104 CO 0.15 -0.08 0.30 1.14 -0.81 0.00 0.00 175.30 176.01 2go8 s GLN 105 N 0.05 0.69 -0.08 5.12 -2.07 -1.26 -5.04 119.66 117.06 2go8 s GLN 105 Ca -0.02 -0.25 -0.03 0.00 -1.82 0.00 0.00 55.36 53.25 2go8 s GLN 105 Cb -0.03 0.30 0.04 0.00 -1.09 0.00 0.00 33.01 32.24 2go8 s GLN 105 CO 0.01 -0.19 0.15 0.50 -1.32 0.00 0.00 175.29 174.44 2go8 s ARG 106 N -1.52 0.02 -0.01 9.60 3.00 -1.26 -5.08 118.95 123.70 2go8 s ARG 106 Ca -0.12 0.54 0.03 0.00 -1.00 0.00 0.00 55.73 55.18 2go8 s ARG 106 Cb -0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 34.95 34.57 2go8 s ARG 106 CO 0.03 -0.31 -0.08 -0.51 0.00 0.00 0.00 175.30 174.43 2go8 s LEU 107 N 2.26 3.08 -0.09 -0.88 1.43 -1.26 -5.13 118.68 118.10 2go8 s LEU 107 Ca 0.03 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 52.88 2go8 s LEU 107 Cb -0.12 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.38 2go8 s LEU 107 CO -0.05 0.30 0.27 0.12 0.23 0.00 0.00 176.35 177.22 2go8 s PHE 108 N -0.93 -0.27 -0.21 0.29 5.36 -1.26 -5.16 117.98 115.80 2go8 s PHE 108 Ca 0.15 0.65 -0.19 0.00 -0.96 0.00 0.00 56.93 56.58 2go8 s PHE 108 Cb -0.11 0.09 0.06 0.00 -0.34 0.00 0.00 43.02 42.72 2go8 s PHE 108 CO 0.06 -0.18 0.57 1.14 -1.46 0.00 0.00 175.22 175.34 2go8 s GLN 109 N -0.09 0.65 0.00 10.12 -2.07 -1.26 -5.16 119.66 121.85 2go8 s GLN 109 Ca -0.02 0.80 0.00 0.00 -1.82 0.00 0.00 55.36 54.32 2go8 s GLN 109 Cb -0.03 0.30 0.00 0.00 -1.09 0.00 0.00 33.01 32.20 2go8 s GLN 109 CO 0.01 -0.08 0.00 -1.91 -1.32 0.00 0.00 175.29 171.98