#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jto s GLN 3 N 0.00 0.21 -0.18 7.34 0.00 -0.37 -5.01 119.66 121.66 1jto s GLN 3 Ca 0.00 -0.13 -0.03 0.00 -0.00 0.00 0.00 55.36 55.20 1jto s GLN 3 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 33.01 33.08 1jto s GLN 3 CO 0.00 -0.04 -0.06 -0.51 0.00 0.00 0.00 175.29 174.68 1jto s LEU 4 N -0.53 2.97 -0.32 2.60 1.43 -1.26 -0.18 118.68 123.40 1jto s LEU 4 Ca -0.06 -0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1jto s LEU 4 Cb -0.04 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.49 1jto s LEU 4 CO 0.00 0.08 0.07 -1.58 0.23 0.00 0.00 176.35 175.15 1jto s GLN 5 N 0.89 2.67 0.06 1.70 2.00 0.01 -4.46 119.66 122.52 1jto s GLN 5 Ca -0.01 -1.14 0.03 0.00 -2.00 0.00 0.00 55.36 52.24 1jto s GLN 5 Cb -0.15 -3.37 -0.04 0.00 0.80 0.00 0.00 33.01 30.25 1jto s GLN 5 CO 0.01 -0.61 0.05 0.00 -0.50 0.00 0.00 175.29 174.25 1jto s ALA 6 N 1.39 3.48 0.19 1.58 0.00 -1.26 0.46 121.76 127.60 1jto s ALA 6 Ca -0.02 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 1jto s ALA 6 Cb -0.19 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.53 1jto s ALA 6 CO 0.02 0.72 0.37 -1.54 0.00 0.00 0.00 175.76 175.32 1jto s SER 7 N -2.18 -0.04 0.00 0.00 1.04 -0.69 -5.01 113.70 106.83 1jto s SER 7 Ca 0.27 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1jto s SER 7 Cb -0.12 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1jto s SER 7 CO 0.19 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1jto n GLY 8 N -0.28 -0.77 1.01 7.32 0.00 -1.26 -1.74 105.19 109.47 1jto n GLY 8 Ca -0.06 -2.04 0.13 0.00 0.00 0.00 0.00 46.02 44.05 1jto n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jto n GLY 9 N 0.00 -2.67 0.00 -0.02 0.00 -1.26 -4.95 105.19 96.29 1jto n GLY 9 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1jto n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jto n GLY 10 N -3.73 -0.10 3.46 -0.02 0.00 -1.02 -5.00 105.19 98.78 1jto n GLY 10 Ca -0.04 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 1jto n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jto s SER 11 N -4.00 3.78 0.06 1.61 1.04 -1.26 -0.43 113.70 114.49 1jto s SER 11 Ca 0.00 -0.53 -0.26 0.00 0.48 0.00 0.00 55.95 55.64 1jto s SER 11 Cb 0.00 -0.53 0.07 0.00 0.10 0.00 0.00 66.02 65.66 1jto s SER 11 CO 0.00 0.21 0.61 0.54 0.98 0.00 0.00 173.24 175.58 1jto s VAL 12 N -1.05 0.01 0.20 5.02 0.11 -0.42 -4.95 120.40 119.31 1jto s VAL 12 Ca 0.16 -0.05 -0.27 0.00 -2.93 0.00 0.00 61.98 58.89 1jto s VAL 12 Cb -0.10 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.67 1jto s VAL 12 CO 0.08 -0.03 0.84 -1.58 -3.33 0.00 0.00 175.10 171.08 1jto s GLN 13 N -2.49 4.68 0.21 1.54 0.74 -1.26 -1.20 119.66 121.87 1jto s GLN 13 Ca -0.05 1.29 -0.28 0.00 0.05 0.00 0.00 55.36 56.36 1jto s GLN 13 Cb -0.01 -3.25 -0.17 0.00 1.10 0.00 0.00 33.01 30.68 1jto s GLN 13 CO -0.02 0.54 0.61 0.00 -0.55 0.00 0.00 175.29 175.88 1jto n ALA 14 N 1.52 -2.51 0.00 1.58 0.00 0.16 -0.44 120.51 120.82 1jto n ALA 14 Ca -0.04 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1jto n ALA 14 Cb 0.48 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1jto n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jto n GLY 15 N 1.87 3.27 0.42 0.00 0.00 0.20 -4.97 105.19 105.99 1jto n GLY 15 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1jto n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jto n GLY 16 N -1.67 -1.68 3.14 -0.02 0.00 0.42 -4.14 105.19 101.25 1jto n GLY 16 Ca 0.00 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 1jto n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jto s SER 17 N -1.67 1.18 0.05 1.61 0.01 -1.26 -2.68 113.70 110.94 1jto s SER 17 Ca 0.08 -0.81 -0.02 0.00 1.31 0.00 0.00 55.95 56.51 1jto s SER 17 Cb -0.00 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 1jto s SER 17 CO 0.06 -0.32 -0.01 -0.76 0.41 0.00 0.00 173.24 172.62 1jto s LEU 18 N -2.44 2.36 -0.10 2.44 1.43 -0.33 -4.98 118.68 117.06 1jto s LEU 18 Ca 0.04 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.21 1jto s LEU 18 Cb -0.02 0.27 0.03 0.00 0.03 0.00 0.00 46.19 46.51 1jto s LEU 18 CO -0.02 -0.58 -0.00 -0.60 0.23 0.00 0.00 176.35 175.38 1jto s ARG 19 N -3.67 0.77 0.21 1.70 3.52 -1.26 -0.08 118.95 120.14 1jto s ARG 19 Ca 0.05 -0.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.61 1jto s ARG 19 Cb 0.06 -1.28 -0.04 0.00 -1.56 0.00 0.00 34.95 32.13 1jto s ARG 19 CO -0.09 -0.36 0.37 -0.51 -0.81 0.00 0.00 175.30 173.90 1jto s LEU 20 N 1.91 4.26 0.04 -0.88 1.43 0.05 -4.24 118.68 121.25 1jto s LEU 20 Ca 0.04 0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 1jto s LEU 20 Cb -0.13 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 1jto s LEU 20 CO -0.06 -0.05 0.01 -0.94 0.23 0.00 0.00 176.35 175.54 1jto s SER 21 N -3.45 0.34 -0.08 2.29 1.04 -0.71 -0.07 113.70 113.06 1jto s SER 21 Ca 0.36 -0.75 -0.04 0.00 0.48 0.00 0.00 55.95 56.00 1jto s SER 21 Cb -0.10 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.24 1jto s SER 21 CO 0.30 -0.51 0.17 0.00 0.98 0.00 0.00 173.24 174.18 1jto s ALA 23 N 1.10 2.60 0.11 0.00 0.00 0.17 -1.60 121.76 124.15 1jto s ALA 23 Ca -0.08 -1.58 -0.30 0.00 0.00 0.00 0.00 51.96 50.00 1jto s ALA 23 Cb -0.10 -1.59 -0.06 0.00 0.00 0.00 0.00 23.12 21.36 1jto s ALA 23 CO -0.06 -0.95 0.95 0.00 0.00 0.00 0.00 175.76 175.71 1jto s ALA 24 N 1.22 3.25 0.02 0.00 0.00 -0.81 -0.81 121.76 124.63 1jto s ALA 24 Ca -0.03 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.53 1jto s ALA 24 Cb -0.18 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1jto s ALA 24 CO -0.06 -0.02 -0.12 -1.12 0.00 0.00 0.00 175.76 174.45 1jto s SER 25 N -0.04 1.37 0.00 0.00 0.01 0.75 -4.84 113.70 110.95 1jto s SER 25 Ca 0.46 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1jto s SER 25 Cb -0.23 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1jto s SER 25 CO 0.30 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.60 1jto n GLY 26 N 2.23 0.87 3.53 3.44 0.00 -1.26 -1.23 105.19 112.76 1jto n GLY 26 Ca -0.17 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 1jto n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jto s TYR 27 N -2.46 2.73 -0.19 1.61 1.51 -1.26 -4.52 117.35 114.75 1jto s TYR 27 Ca 0.00 -0.15 -0.16 0.00 -1.01 0.00 0.00 57.07 55.76 1jto s TYR 27 Cb 0.00 -1.55 -0.10 0.00 -0.11 0.00 0.00 41.96 40.20 1jto s TYR 27 CO 0.00 0.30 -0.12 2.41 -1.11 0.00 0.00 175.55 177.04 1jto n THR 28 N 1.60 1.49 -4.68 -0.71 -1.04 -1.26 -4.93 114.28 104.76 1jto n THR 28 Ca -0.16 0.02 -0.23 0.00 -2.04 0.00 0.00 64.05 61.64 1jto n THR 28 Cb 0.52 -2.18 -0.15 0.00 -1.82 0.00 0.00 70.33 66.70 1jto n THR 28 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1jto s ILE 29 N -2.44 1.16 0.00 12.58 1.01 -1.26 -5.07 121.20 127.17 1jto s ILE 29 Ca -0.26 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1jto s ILE 29 Cb 0.06 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.56 1jto s ILE 29 CO 0.42 0.33 0.00 0.61 0.00 0.00 0.00 174.94 176.30 1jto n GLY 30 N 2.78 -1.76 3.65 6.18 0.00 -1.26 -4.87 105.19 109.92 1jto n GLY 30 Ca -0.15 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 1jto n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jto s PRO 31 N 0.00 0.51 0.03 1.61 0.04 -1.26 -4.87 135.00 131.06 1jto s PRO 31 Ca 0.00 0.85 -0.08 0.00 0.04 0.00 0.00 61.00 61.82 1jto s PRO 31 Cb 0.00 -1.72 -0.31 0.00 0.04 0.00 0.00 34.50 32.52 1jto s PRO 31 CO 0.00 -2.77 0.99 -0.92 0.04 0.00 0.00 177.00 174.34 1jto h TYR 32 N -1.93 0.64 -3.96 0.56 3.20 -1.28 -3.42 116.97 110.78 1jto h TYR 32 Ca -0.53 -0.47 -0.40 0.00 3.14 0.00 0.00 58.73 60.47 1jto h TYR 32 Cb 1.30 -0.03 -0.22 0.00 1.54 0.00 0.00 36.73 39.33 1jto h TYR 32 CO 0.37 1.42 -0.78 0.00 -1.64 0.00 0.00 178.16 177.53 1jto s MET 34 N -1.63 0.12 0.22 0.00 -1.94 -1.08 -0.81 119.30 114.18 1jto s MET 34 Ca -0.02 0.16 -0.08 0.00 -1.71 0.00 0.00 55.69 54.03 1jto s MET 34 Cb -0.10 0.04 0.03 0.00 2.01 0.00 0.00 34.83 36.81 1jto s MET 34 CO 0.02 -0.03 0.44 0.41 -0.01 0.00 0.00 175.02 175.85 1jto n GLY 35 N 3.12 1.46 3.13 -0.03 0.00 0.35 -0.86 105.19 112.36 1jto n GLY 35 Ca -0.13 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 1jto n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jto s TRP 36 N -5.13 1.35 0.21 1.61 0.52 0.10 -1.15 118.94 116.45 1jto s TRP 36 Ca 0.09 -0.28 0.11 0.00 0.02 0.00 0.00 56.10 56.04 1jto s TRP 36 Cb -0.03 -0.85 -0.05 0.00 -1.15 0.00 0.00 33.47 31.39 1jto s TRP 36 CO 0.07 -0.01 -0.21 -0.06 0.02 0.00 0.00 176.95 176.76 1jto s PHE 37 N -0.46 2.13 0.00 -1.98 0.40 0.85 -0.90 117.98 118.02 1jto s PHE 37 Ca 0.05 -0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1jto s PHE 37 Cb -0.06 -1.02 -0.01 0.00 0.51 0.00 0.00 43.02 42.44 1jto s PHE 37 CO -0.00 0.50 0.03 -0.98 0.70 0.00 0.00 175.22 175.47 1jto s ARG 38 N -2.99 0.22 -0.23 0.44 1.70 0.34 0.10 118.95 118.53 1jto s ARG 38 Ca 0.22 -0.28 0.00 0.00 -0.47 0.00 0.00 55.73 55.21 1jto s ARG 38 Cb -0.06 0.08 0.06 0.00 -0.57 0.00 0.00 34.95 34.46 1jto s ARG 38 CO 0.10 -0.04 -0.04 -1.14 -1.08 0.00 0.00 175.30 173.10 1jto s GLN 39 N -0.78 1.52 0.18 3.89 2.00 0.98 -1.18 119.66 126.28 1jto s GLN 39 Ca -0.09 -0.93 0.04 0.00 -2.00 0.00 0.00 55.36 52.38 1jto s GLN 39 Cb -0.05 -2.54 -0.03 0.00 0.80 0.00 0.00 33.01 31.19 1jto s GLN 39 CO -0.00 -0.60 0.30 0.00 -0.50 0.00 0.00 175.29 174.48 1jto s ALA 40 N 1.44 3.92 0.15 1.58 0.00 -1.26 -1.24 121.76 126.36 1jto s ALA 40 Ca -0.05 -1.12 -0.31 0.00 0.00 0.00 0.00 51.96 50.48 1jto s ALA 40 Cb -0.19 -1.72 -0.09 0.00 0.00 0.00 0.00 23.12 21.12 1jto s ALA 40 CO -0.06 0.43 1.47 -1.25 0.00 0.00 0.00 175.76 176.35 1jto s PRO 41 N -3.49 4.27 0.00 0.00 0.04 -1.26 -2.48 135.00 132.09 1jto s PRO 41 Ca 0.34 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1jto s PRO 41 Cb -0.10 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1jto s PRO 41 CO 0.28 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.23 1jto n GLY 42 N 3.44 0.82 3.65 0.56 0.00 -1.26 -5.01 105.19 107.38 1jto n GLY 42 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1jto n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jto s LYS 43 N -0.06 2.02 0.45 1.61 1.02 -1.03 -5.14 119.74 118.62 1jto s LYS 43 Ca 0.00 -2.08 -0.16 0.00 0.02 0.00 0.00 55.97 53.74 1jto s LYS 43 Cb 0.00 -1.70 -0.09 0.00 -0.52 0.00 0.00 37.83 35.53 1jto s LYS 43 CO 0.00 -0.09 0.91 -1.21 -0.92 0.00 0.00 175.35 174.04 1jto s GLU 44 N -3.76 4.00 0.02 1.68 0.41 -1.26 -4.69 118.70 115.10 1jto s GLU 44 Ca 0.34 0.88 -0.30 0.00 -0.41 0.00 0.00 54.97 55.48 1jto s GLU 44 Cb 0.08 -2.23 -0.07 0.00 -1.78 0.00 0.00 34.13 30.14 1jto s GLU 44 CO 0.18 -0.12 1.65 0.50 -0.49 0.00 0.00 175.26 176.98 1jto s ARG 45 N -3.67 4.20 -0.12 1.61 3.52 -1.26 -4.68 118.95 118.53 1jto s ARG 45 Ca 0.58 2.27 -0.03 0.00 -0.13 0.00 0.00 55.73 58.42 1jto s ARG 45 Cb -0.10 -3.77 -0.03 0.00 -1.56 0.00 0.00 34.95 29.49 1jto s ARG 45 CO 0.25 -0.77 -0.02 -2.00 -0.81 0.00 0.00 175.30 171.95 1jto s GLU 46 N 3.22 3.36 -0.18 5.12 2.12 -0.32 -4.94 118.70 127.08 1jto s GLU 46 Ca 0.74 -0.47 -0.25 0.00 0.36 0.00 0.00 54.97 55.35 1jto s GLU 46 Cb -0.37 -2.86 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 1jto s GLU 46 CO 0.31 0.45 0.83 0.20 -0.54 0.00 0.00 175.26 176.52 1jto s GLY 47 N -0.19 2.05 -0.23 -1.50 0.00 -1.26 -0.50 107.32 105.68 1jto s GLY 47 Ca 0.04 0.01 -0.15 0.00 0.00 0.00 0.00 44.72 44.63 1jto s GLY 47 CO 0.02 1.69 -0.04 -0.62 0.00 0.00 0.00 173.10 174.15 1jto n VAL 48 N 4.81 1.56 -3.53 1.40 0.31 -0.08 -4.25 118.33 118.55 1jto n VAL 48 Ca 0.05 -0.29 -0.16 0.00 -0.01 0.00 0.00 64.34 63.92 1jto n VAL 48 Cb 0.49 -1.88 -0.05 0.00 -0.91 0.00 0.00 33.84 31.48 1jto n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jto s ALA 49 N -2.46 -1.62 0.15 3.52 0.00 -1.20 -0.93 121.76 119.22 1jto s ALA 49 Ca -0.33 1.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.59 1jto s ALA 49 Cb 0.10 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1jto s ALA 49 CO 0.57 -0.44 0.26 0.00 0.00 0.00 0.00 175.76 176.15 1jto s ALA 50 N -1.73 -0.03 -0.09 0.00 0.00 -0.60 0.02 121.76 119.33 1jto s ALA 50 Ca -0.09 -0.84 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 1jto s ALA 50 Cb -0.01 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.93 1jto s ALA 50 CO 0.05 -0.61 0.34 -1.50 0.00 0.00 0.00 175.76 174.04 1jto s ILE 51 N -3.95 0.02 -0.34 0.00 2.07 -0.04 -1.64 121.20 117.32 1jto s ILE 51 Ca 0.15 -0.16 -0.29 0.00 -1.41 0.00 0.00 60.65 58.94 1jto s ILE 51 Cb 0.04 -0.55 0.02 0.00 0.13 0.00 0.00 42.46 42.10 1jto s ILE 51 CO -0.02 -0.09 1.07 0.20 -1.91 0.00 0.00 174.94 174.18 1jto s ASN 52 N -0.36 6.88 0.49 4.50 -0.87 -0.29 -2.63 114.94 122.66 1jto s ASN 52 Ca -0.05 0.95 -0.23 0.00 -1.57 0.00 0.00 52.86 51.97 1jto s ASN 52 Cb -0.03 -2.54 -0.08 0.00 -0.02 0.00 0.00 41.25 38.58 1jto s ASN 52 CO 0.02 -0.91 1.12 0.23 -2.57 0.00 0.00 177.10 174.98 1jto n MET 53 N 6.96 1.44 0.00 -0.60 2.81 -0.01 -1.01 117.12 126.71 1jto n MET 53 Ca 0.12 0.52 0.00 0.00 -1.81 0.00 0.00 57.70 56.53 1jto n MET 53 Cb 0.47 -2.24 0.00 0.00 -0.71 0.00 0.00 33.22 30.74 1jto n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jto n GLY 54 N 1.05 1.98 0.55 3.03 0.00 -1.26 -4.34 105.19 106.19 1jto n GLY 54 Ca 0.10 0.17 0.34 0.00 0.00 0.00 0.00 46.02 46.64 1jto n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jto h GLY 55 N 0.00 0.00 0.00 -0.02 0.00 -1.96 -3.45 103.07 97.64 1jto h GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jto h GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1jto n GLY 56 N -1.74 2.18 3.76 4.60 0.00 -0.18 -5.00 105.19 108.82 1jto n GLY 56 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1jto n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jto s ILE 57 N -2.75 2.13 0.29 -0.61 -1.09 -1.26 -4.72 121.20 113.18 1jto s ILE 57 Ca 0.00 0.11 0.11 0.00 -2.23 0.00 0.00 60.65 58.64 1jto s ILE 57 Cb 0.00 -3.07 -0.05 0.00 -1.58 0.00 0.00 42.46 37.76 1jto s ILE 57 CO 0.00 0.02 -0.10 0.42 -1.23 0.00 0.00 174.94 174.05 1jto s THR 58 N -0.43 2.79 -0.02 2.92 -4.23 -1.26 -1.13 115.64 114.28 1jto s THR 58 Ca 0.59 -2.17 -0.04 0.00 -1.18 0.00 0.00 61.69 58.89 1jto s THR 58 Cb -0.47 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1jto s THR 58 CO 0.53 -0.35 0.09 -0.31 -0.54 0.00 0.00 174.62 174.04 1jto s TYR 59 N -2.46 -0.01 0.02 3.99 1.51 -0.65 -4.99 117.35 114.75 1jto s TYR 59 Ca 0.31 0.04 0.01 0.00 -1.01 0.00 0.00 57.07 56.42 1jto s TYR 59 Cb -0.04 -0.02 -0.01 0.00 -0.11 0.00 0.00 41.96 41.77 1jto s TYR 59 CO 0.17 -0.13 -0.04 0.71 -1.11 0.00 0.00 175.55 175.15 1jto s TYR 60 N -0.54 0.32 0.88 2.71 1.51 -1.26 -1.56 117.35 119.41 1jto s TYR 60 Ca -0.06 -0.35 -0.10 0.00 -1.01 0.00 0.00 57.07 55.55 1jto s TYR 60 Cb -0.04 -0.21 0.12 0.00 -0.11 0.00 0.00 41.96 41.73 1jto s TYR 60 CO 0.00 -0.10 1.12 0.00 -1.11 0.00 0.00 175.55 175.46 1jto s ALA 61 N -0.94 1.61 0.34 3.71 0.00 -0.11 -4.84 121.76 121.54 1jto s ALA 61 Ca -0.09 0.41 0.11 0.00 0.00 0.00 0.00 51.96 52.38 1jto s ALA 61 Cb -0.07 -3.37 0.61 0.00 0.00 0.00 0.00 23.12 20.29 1jto s ALA 61 CO -0.00 -2.48 1.77 -0.44 0.00 0.00 0.00 175.76 174.60 1jto h ASP 62 N -1.66 0.08 0.76 0.00 3.32 -1.91 -2.68 116.42 114.33 1jto h ASP 62 Ca -0.45 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1jto h ASP 62 Cb 1.26 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1jto h ASP 62 CO 0.46 0.48 0.00 0.77 -1.72 0.00 0.00 179.24 179.23 1jto h SER 63 N 0.07 0.00 0.00 6.45 4.64 -1.97 -3.13 113.55 119.62 1jto h SER 63 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jto h SER 63 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1jto h SER 63 CO 0.05 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.34 1jto n VAL 64 N -2.71 0.58 -1.95 0.95 0.24 -1.13 -4.97 118.33 109.34 1jto n VAL 64 Ca 0.01 -0.70 -0.42 0.00 -2.04 0.00 0.00 64.34 61.18 1jto n VAL 64 Cb 0.24 0.76 -0.03 0.00 -1.47 0.00 0.00 33.84 33.34 1jto n VAL 64 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1jto s LYS 65 N -0.58 4.21 0.00 7.34 2.20 -1.03 -1.40 119.74 130.49 1jto s LYS 65 Ca 0.00 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 1jto s LYS 65 Cb 0.00 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1jto s LYS 65 CO 0.00 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 1jto n GLY 66 N 3.87 2.97 0.13 5.54 0.00 -1.26 -4.80 105.19 111.63 1jto n GLY 66 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 1jto n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jto n ARG 67 N -0.14 0.68 -3.94 1.61 1.74 -0.81 -4.98 116.66 110.81 1jto n ARG 67 Ca 0.00 0.16 -0.23 0.00 -0.77 0.00 0.00 57.85 57.01 1jto n ARG 67 Cb 0.00 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.46 29.84 1jto n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jto s PHE 68 N -2.53 3.46 -0.16 -1.55 0.40 -0.49 -2.17 117.98 114.95 1jto s PHE 68 Ca -0.27 0.05 -0.08 0.00 -0.60 0.00 0.00 56.93 56.03 1jto s PHE 68 Cb 0.08 -1.62 0.06 0.00 0.51 0.00 0.00 43.02 42.05 1jto s PHE 68 CO 0.68 0.45 0.36 0.99 0.70 0.00 0.00 175.22 178.41 1jto s THR 69 N -1.91 -0.17 0.06 0.64 2.01 -0.61 -4.89 115.64 110.78 1jto s THR 69 Ca 0.34 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.54 1jto s THR 69 Cb -0.10 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1jto s THR 69 CO 0.29 0.06 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.66 1jto s ILE 70 N 1.67 3.36 0.16 1.82 2.07 -1.26 -0.74 121.20 128.28 1jto s ILE 70 Ca -0.07 -1.10 -0.16 0.00 -1.41 0.00 0.00 60.65 57.91 1jto s ILE 70 Cb -0.10 -2.52 0.03 0.00 0.13 0.00 0.00 42.46 40.00 1jto s ILE 70 CO -0.11 0.24 0.44 -0.94 -1.91 0.00 0.00 174.94 172.65 1jto s SER 71 N -1.84 -0.21 0.19 4.50 1.04 -0.90 -4.99 113.70 111.49 1jto s SER 71 Ca 0.19 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.22 1jto s SER 71 Cb -0.11 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1jto s SER 71 CO 0.10 -0.95 0.17 -1.58 0.98 0.00 0.00 173.24 171.97 1jto s GLN 72 N -3.85 2.97 -0.46 4.02 0.74 -1.26 -1.28 119.66 120.53 1jto s GLN 72 Ca 0.07 -0.90 -0.01 0.00 0.05 0.00 0.00 55.36 54.57 1jto s GLN 72 Cb 0.01 -2.65 0.12 0.00 1.10 0.00 0.00 33.01 31.59 1jto s GLN 72 CO -0.07 0.46 0.24 0.34 -0.55 0.00 0.00 175.29 175.72 1jto s ASP 73 N -3.36 5.11 -1.60 6.67 2.15 -0.41 -4.80 116.67 120.43 1jto s ASP 73 Ca 0.32 -2.32 -0.11 0.00 0.43 0.00 0.00 52.55 50.86 1jto s ASP 73 Cb -0.09 -1.79 0.10 0.00 -0.30 0.00 0.00 42.92 40.83 1jto s ASP 73 CO 0.24 -0.46 0.62 -3.20 -0.17 0.00 0.00 175.17 172.21 1jto n ASN 74 N 4.17 -2.07 -1.26 -0.34 5.15 -1.26 0.02 115.26 119.67 1jto n ASN 74 Ca 0.02 -1.03 -0.09 0.00 -0.60 0.00 0.00 54.58 52.87 1jto n ASN 74 Cb 0.40 -2.77 -0.04 0.00 -0.53 0.00 0.00 39.78 36.83 1jto n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jto n ALA 75 N -4.40 -0.14 1.48 5.20 0.00 -1.26 -4.75 120.51 116.63 1jto n ALA 75 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1jto n ALA 75 Cb 0.57 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1jto n ALA 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jto n LYS 76 N -1.60 0.83 -3.01 0.00 4.81 0.10 -4.84 118.16 114.46 1jto n LYS 76 Ca -0.09 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.12 1jto n LYS 76 Cb 0.31 -1.09 0.04 0.00 0.02 0.00 0.00 35.03 34.31 1jto n LYS 76 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1jto n ASN 77 N -0.37 -6.11 -3.95 3.14 4.13 -1.26 -4.90 115.26 105.93 1jto n ASN 77 Ca 0.00 -0.29 -0.17 0.00 1.68 0.00 0.00 54.58 55.81 1jto n ASN 77 Cb 0.04 -4.92 -0.15 0.00 -1.54 0.00 0.00 39.78 33.22 1jto n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1jto s THR 78 N -3.18 0.45 0.10 3.41 2.01 -1.26 -1.93 115.64 115.24 1jto s THR 78 Ca 0.30 -0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.14 1jto s THR 78 Cb -0.13 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 1jto s THR 78 CO 0.37 0.14 -0.13 0.68 -0.69 0.00 0.00 174.62 175.00 1jto s VAL 79 N 0.07 1.15 0.14 3.82 -7.23 -0.63 -1.29 120.40 116.43 1jto s VAL 79 Ca -0.00 -1.55 0.10 0.00 -1.81 0.00 0.00 61.98 58.71 1jto s VAL 79 Cb -0.05 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 1jto s VAL 79 CO -0.00 -0.39 -0.24 -0.31 -0.31 0.00 0.00 175.10 173.84 1jto s TYR 80 N -1.92 2.15 -0.26 2.82 2.02 -0.41 -0.37 117.35 121.37 1jto s TYR 80 Ca 0.04 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 1jto s TYR 80 Cb -0.06 -1.14 0.07 0.00 -0.40 0.00 0.00 41.96 40.43 1jto s TYR 80 CO 0.02 0.33 -0.01 -1.17 -1.57 0.00 0.00 175.55 173.15 1jto s LEU 81 N -2.16 2.78 -0.29 -1.29 2.96 0.90 -2.11 118.68 119.46 1jto s LEU 81 Ca 0.13 -1.38 -0.21 0.00 -0.22 0.00 0.00 54.13 52.45 1jto s LEU 81 Cb -0.09 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 1jto s LEU 81 CO 0.06 -0.29 0.67 -0.22 -1.32 0.00 0.00 176.35 175.25 1jto s LEU 82 N 1.38 4.11 -0.28 -0.68 2.96 0.08 -0.77 118.68 125.48 1jto s LEU 82 Ca -0.00 0.58 -0.02 0.00 -0.22 0.00 0.00 54.13 54.46 1jto s LEU 82 Cb -0.19 -2.89 0.04 0.00 0.50 0.00 0.00 46.19 43.65 1jto s LEU 82 CO -0.10 -0.47 -0.01 -0.04 -1.32 0.00 0.00 176.35 174.41 1jto s MET 83 N 2.65 2.66 0.29 1.98 -1.94 0.89 -1.57 119.30 124.26 1jto s MET 83 Ca 0.27 -1.11 0.08 0.00 -1.71 0.00 0.00 55.69 53.23 1jto s MET 83 Cb -0.15 -3.14 -0.04 0.00 2.01 0.00 0.00 34.83 33.51 1jto s MET 83 CO 0.11 -0.52 0.13 -0.80 -0.01 0.00 0.00 175.02 173.93 1jto s ASN 84 N 1.31 4.96 -1.52 3.03 0.01 -0.92 -1.18 114.94 120.63 1jto s ASN 84 Ca -0.02 -0.55 -0.12 0.00 -0.71 0.00 0.00 52.86 51.46 1jto s ASN 84 Cb -0.18 -0.99 0.08 0.00 0.41 0.00 0.00 41.25 40.56 1jto s ASN 84 CO -0.02 -0.13 0.90 -1.20 -1.51 0.00 0.00 177.10 175.14 1jto n SER 85 N -1.10 -3.94 -4.75 -1.22 7.64 -1.21 -4.66 113.62 104.37 1jto n SER 85 Ca -0.05 -0.82 -0.41 0.00 1.01 0.00 0.00 58.87 58.59 1jto n SER 85 Cb 0.59 -3.73 -0.01 0.00 -1.01 0.00 0.00 64.21 60.05 1jto n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1jto s LEU 86 N -7.19 4.35 0.25 -3.43 1.43 -1.09 -4.71 118.68 108.28 1jto s LEU 86 Ca 0.55 2.93 0.11 0.00 -1.03 0.00 0.00 54.13 56.70 1jto s LEU 86 Cb -0.28 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.25 1jto s LEU 86 CO 0.84 -0.89 -0.20 -1.61 0.23 0.00 0.00 176.35 174.73 1jto s GLU 87 N -0.71 1.58 0.60 1.70 0.41 -1.26 0.58 118.70 121.61 1jto s GLU 87 Ca 0.61 -1.68 0.31 0.00 -0.41 0.00 0.00 54.97 53.80 1jto s GLU 87 Cb -0.47 -1.69 1.79 0.00 -1.78 0.00 0.00 34.13 31.98 1jto s GLU 87 CO 0.49 0.33 2.18 -1.00 -0.49 0.00 0.00 175.26 176.77 1jto h PRO 88 N 2.56 0.00 0.00 0.39 0.13 -1.90 0.88 132.00 134.07 1jto h PRO 88 Ca -0.41 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1jto h PRO 88 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1jto h PRO 88 CO 0.57 0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 179.17 1jto h GLU 89 N 0.00 0.00 0.00 0.86 3.07 -1.96 -0.29 114.58 116.26 1jto h GLU 89 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1jto h GLU 89 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1jto h GLU 89 CO -0.00 0.10 0.00 -0.25 -1.40 0.00 0.00 179.01 177.46 1jto n ASP 90 N -3.63 0.00 -4.69 1.42 10.43 0.30 -4.77 116.55 115.61 1jto n ASP 90 Ca -0.02 0.03 -0.42 0.00 2.57 0.00 0.00 54.79 56.95 1jto n ASP 90 Cb 0.22 -0.29 -0.03 0.00 1.84 0.00 0.00 41.12 42.87 1jto n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1jto s THR 91 N -2.57 3.07 -0.10 -3.53 2.01 -0.12 -4.86 115.64 109.54 1jto s THR 91 Ca 0.17 0.52 -0.31 0.00 0.31 0.00 0.00 61.69 62.37 1jto s THR 91 Cb 0.12 -3.33 0.11 0.00 0.01 0.00 0.00 72.50 69.41 1jto s THR 91 CO 0.28 -0.00 1.39 0.00 -0.69 0.00 0.00 174.62 175.60 1jto s ALA 92 N 2.62 -2.75 -0.24 7.40 0.00 -0.71 -4.66 121.76 123.42 1jto s ALA 92 Ca 0.73 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.91 1jto s ALA 92 Cb -0.39 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1jto s ALA 92 CO 0.32 -1.16 0.26 0.42 0.00 0.00 0.00 175.76 175.60 1jto s ILE 93 N -2.00 5.29 -0.20 0.00 1.01 -0.37 -1.51 121.20 123.41 1jto s ILE 93 Ca 0.29 0.38 -0.10 0.00 0.00 0.00 0.00 60.65 61.22 1jto s ILE 93 Cb 0.02 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1jto s ILE 93 CO -0.04 0.29 0.12 -0.31 0.00 0.00 0.00 174.94 175.00 1jto s TYR 94 N 1.33 3.38 -0.07 3.97 1.51 -0.31 -0.01 117.35 127.15 1jto s TYR 94 Ca 0.12 0.29 0.03 0.00 -1.01 0.00 0.00 57.07 56.50 1jto s TYR 94 Cb -0.14 -2.15 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1jto s TYR 94 CO 0.07 0.27 -0.17 0.71 -1.11 0.00 0.00 175.55 175.31 1jto s TYR 95 N 0.36 2.65 0.01 2.71 2.02 0.28 -1.10 117.35 124.28 1jto s TYR 95 Ca 0.07 -0.42 -0.13 0.00 -0.37 0.00 0.00 57.07 56.22 1jto s TYR 95 Cb -0.11 -1.67 -0.06 0.00 -0.40 0.00 0.00 41.96 39.72 1jto s TYR 95 CO -0.02 -0.02 0.39 0.00 -1.57 0.00 0.00 175.55 174.34 1jto s ALA 97 N -1.15 -0.62 0.13 0.00 0.00 -0.30 -1.95 121.76 117.87 1jto s ALA 97 Ca 0.25 0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.56 1jto s ALA 97 Cb -0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1jto s ALA 97 CO 0.14 -0.22 -0.14 0.00 0.00 0.00 0.00 175.76 175.54 1jto s ALA 98 N -1.03 1.54 -0.31 0.00 0.00 -0.48 -0.50 121.76 120.99 1jto s ALA 98 Ca -0.11 -1.32 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 1jto s ALA 98 Cb -0.05 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.03 1jto s ALA 98 CO 0.03 0.10 0.03 0.34 0.00 0.00 0.00 175.76 176.26 1jto s ASP 99 N -2.52 4.98 0.00 0.00 3.68 0.01 -2.03 116.67 120.79 1jto s ASP 99 Ca 0.10 -1.15 0.24 0.00 2.13 0.00 0.00 52.55 53.87 1jto s ASP 99 Cb -0.05 -1.77 1.12 0.00 -1.45 0.00 0.00 42.92 40.78 1jto s ASP 99 CO 0.03 -0.26 1.80 -1.20 0.13 0.00 0.00 175.17 175.67 1jto n SER 100 N 4.70 0.00 -4.72 -0.34 7.64 -1.26 -1.03 113.62 118.61 1jto n SER 100 Ca -0.13 0.27 -0.41 0.00 1.01 0.00 0.00 58.87 59.60 1jto n SER 100 Cb 0.44 -0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 63.19 1jto n SER 100 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jto s THR 101 N -2.83 4.38 -0.73 0.44 2.01 -1.26 -4.71 115.64 112.93 1jto s THR 101 Ca 0.16 1.87 -0.14 0.00 0.31 0.00 0.00 61.69 63.89 1jto s THR 101 Cb 0.16 -4.19 0.19 0.00 0.01 0.00 0.00 72.50 68.67 1jto s THR 101 CO 0.42 0.24 0.67 -0.63 -0.69 0.00 0.00 174.62 174.62 1jto s ILE 102 N 0.37 5.39 0.55 1.82 -1.09 -1.26 -4.36 121.20 122.62 1jto s ILE 102 Ca 0.51 -2.22 -0.22 0.00 -2.23 0.00 0.00 60.65 56.49 1jto s ILE 102 Cb -0.25 -4.37 -0.05 0.00 -1.58 0.00 0.00 42.46 36.21 1jto s ILE 102 CO 0.30 -0.97 1.36 -0.31 -1.23 0.00 0.00 174.94 174.09 1jto s TYR 103 N 0.56 2.27 -0.11 3.97 1.51 -1.26 -4.97 117.35 119.32 1jto s TYR 103 Ca 0.14 1.37 -0.26 0.00 -1.01 0.00 0.00 57.07 57.31 1jto s TYR 103 Cb -0.16 -3.80 -0.22 0.00 -0.11 0.00 0.00 41.96 37.66 1jto s TYR 103 CO -0.05 -2.92 0.82 0.00 -1.11 0.00 0.00 175.55 172.28 1jto h ALA 104 N 1.43 -0.02 -2.39 3.71 0.00 -2.04 -3.46 119.26 116.49 1jto h ALA 104 Ca -0.51 -0.40 -0.51 0.00 0.00 0.00 0.00 54.91 53.50 1jto h ALA 104 Cb 1.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1jto h ALA 104 CO 0.57 -0.07 -0.36 -1.54 0.00 0.00 0.00 179.25 177.85 1jto s SER 105 N -6.02 6.34 0.23 0.00 1.04 -1.26 -5.03 113.70 108.99 1jto s SER 105 Ca -0.17 0.28 -0.31 0.00 0.48 0.00 0.00 55.95 56.24 1jto s SER 105 Cb -0.02 -1.96 -0.15 0.00 0.10 0.00 0.00 66.02 64.00 1jto s SER 105 CO 0.63 -0.08 1.11 0.00 0.98 0.00 0.00 173.24 175.87 1jto n TYR 106 N -1.03 1.32 -4.34 5.02 9.36 -1.26 -4.99 117.16 121.24 1jto n TYR 106 Ca -0.06 0.68 -0.21 0.00 3.32 0.00 0.00 57.90 61.62 1jto n TYR 106 Cb 0.55 -2.27 -0.16 0.00 -0.63 0.00 0.00 39.34 36.83 1jto n TYR 106 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1jto s TYR 107 N -0.55 0.96 -0.34 2.98 5.04 -1.26 -5.11 117.35 119.08 1jto s TYR 107 Ca 0.67 -0.28 -0.19 0.00 -2.44 0.00 0.00 57.07 54.82 1jto s TYR 107 Cb -0.78 -0.74 -0.01 0.00 0.35 0.00 0.00 41.96 40.79 1jto s TYR 107 CO 0.55 -0.17 0.57 -1.21 -1.34 0.00 0.00 175.55 173.95 1jto s GLU 108 N 0.58 3.73 0.54 4.97 2.02 -1.26 -4.95 118.70 124.33 1jto s GLU 108 Ca -0.09 0.03 0.20 0.00 0.02 0.00 0.00 54.97 55.12 1jto s GLU 108 Cb -0.12 -3.78 1.41 0.00 0.10 0.00 0.00 34.13 31.73 1jto s GLU 108 CO 0.01 -0.63 2.17 0.00 0.02 0.00 0.00 175.26 176.83 1jto h GLY 110 N 0.00 0.00 0.90 0.00 0.00 -1.92 -3.01 103.07 99.04 1jto h GLY 110 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1jto h GLY 110 CO -0.00 0.00 -0.21 0.84 0.00 0.00 0.00 176.54 177.17 1jto h HIS 111 N 0.00 -0.55 -0.24 5.60 6.17 -1.75 -2.22 115.15 122.17 1jto h HIS 111 Ca 0.00 -0.01 -0.09 0.00 0.71 0.00 0.00 60.37 60.98 1jto h HIS 111 Cb 0.39 0.18 -0.01 0.00 2.52 0.00 0.00 27.41 30.48 1jto h HIS 111 CO 0.00 -0.28 -0.22 0.78 0.71 0.00 0.00 177.93 178.92 1jto h GLY 112 N -0.70 0.47 0.14 5.26 0.00 -1.73 -3.06 103.07 103.45 1jto h GLY 112 Ca -0.06 -0.37 0.09 0.00 0.00 0.00 0.00 47.33 47.00 1jto h GLY 112 CO 0.10 0.34 -0.04 -2.00 0.00 0.00 0.00 176.54 174.93 1jto h LEU 113 N 0.39 -0.29 -3.42 3.11 5.85 -1.36 -0.99 115.31 118.62 1jto h LEU 113 Ca 0.06 0.13 -0.34 0.00 0.84 0.00 0.00 57.88 58.57 1jto h LEU 113 Cb 0.61 0.24 -0.20 0.00 0.37 0.00 0.00 40.66 41.67 1jto h LEU 113 CO 0.04 -0.10 0.44 -1.54 -0.34 0.00 0.00 178.44 176.94 1jto n SER 114 N -5.27 3.66 -2.74 1.25 3.41 -0.86 -3.98 113.62 109.10 1jto n SER 114 Ca 0.05 -3.14 -0.09 0.00 -0.26 0.00 0.00 58.87 55.43 1jto n SER 114 Cb 0.26 -0.74 0.06 0.00 -0.26 0.00 0.00 64.21 63.53 1jto n SER 114 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jto n THR 115 N -0.59 0.47 -0.89 6.66 -2.24 -0.87 -4.95 114.28 111.86 1jto n THR 115 Ca 0.42 -2.61 0.00 0.00 -2.27 0.00 0.00 64.05 59.59 1jto n THR 115 Cb 1.33 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 70.29 1jto n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jto n GLY 116 N -0.17 0.57 2.20 3.38 0.00 -1.25 -3.64 105.19 106.28 1jto n GLY 116 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1jto n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jto n GLY 117 N -2.86 0.62 3.69 -0.02 0.00 -0.43 -4.95 105.19 101.24 1jto n GLY 117 Ca 0.00 -0.63 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 1jto n GLY 117 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jto n TYR 118 N -3.26 2.46 0.00 1.61 9.36 -1.13 -1.76 117.16 124.44 1jto n TYR 118 Ca -0.09 0.18 0.00 0.00 3.32 0.00 0.00 57.90 61.31 1jto n TYR 118 Cb 0.39 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.50 1jto n TYR 118 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1jto n GLY 119 N 3.61 3.02 3.55 2.98 0.00 -1.26 -4.45 105.19 112.64 1jto n GLY 119 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1jto n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jto s TYR 120 N -2.75 2.26 -0.93 1.61 1.51 -0.72 -4.38 117.35 113.95 1jto s TYR 120 Ca 0.00 0.07 0.22 0.00 -1.01 0.00 0.00 57.07 56.36 1jto s TYR 120 Cb 0.00 -4.57 0.02 0.00 -0.11 0.00 0.00 41.96 37.30 1jto s TYR 120 CO 0.00 -2.05 1.06 -0.40 -1.11 0.00 0.00 175.55 173.05 1jto n ASP 121 N 9.55 0.78 -4.05 2.29 5.75 -0.86 -4.88 116.55 125.12 1jto n ASP 121 Ca 0.05 -0.66 -0.31 0.00 -0.01 0.00 0.00 54.79 53.87 1jto n ASP 121 Cb 0.49 0.77 -0.16 0.00 -1.03 0.00 0.00 41.12 41.19 1jto n ASP 121 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1jto s SER 122 N -3.14 2.86 0.15 -1.12 0.01 -1.06 -5.02 113.70 106.39 1jto s SER 122 Ca 0.08 -0.56 0.09 0.00 1.31 0.00 0.00 55.95 56.88 1jto s SER 122 Cb 0.16 -1.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.07 1jto s SER 122 CO 0.81 -0.04 -0.17 0.26 0.41 0.00 0.00 173.24 174.51 1jto s TRP 123 N 1.42 2.51 0.57 2.43 0.52 -1.26 -1.38 118.94 123.75 1jto s TRP 123 Ca 0.05 -0.27 0.08 0.00 0.02 0.00 0.00 56.10 55.97 1jto s TRP 123 Cb -0.13 -1.28 0.07 0.00 -1.15 0.00 0.00 33.47 30.98 1jto s TRP 123 CO -0.11 0.45 0.61 0.20 0.02 0.00 0.00 176.95 178.11 1jto s GLY 124 N -2.46 2.05 0.11 0.98 0.00 -0.82 -4.68 107.32 102.50 1jto s GLY 124 Ca 0.21 -1.68 -0.31 0.00 0.00 0.00 0.00 44.72 42.94 1jto s GLY 124 CO 0.12 -1.83 1.28 1.20 0.00 0.00 0.00 173.10 173.87 1jto s GLN 125 N -4.50 4.39 0.71 2.90 -1.52 -1.26 -4.70 119.66 115.68 1jto s GLN 125 Ca 0.47 1.93 -0.15 0.00 -1.95 0.00 0.00 55.36 55.66 1jto s GLN 125 Cb -0.04 -3.28 0.03 0.00 -0.22 0.00 0.00 33.01 29.50 1jto s GLN 125 CO 0.30 -0.30 1.18 0.20 -0.25 0.00 0.00 175.29 176.42 1jto s GLY 126 N 0.88 2.31 -0.10 3.09 0.00 -1.26 -4.74 107.32 107.50 1jto s GLY 126 Ca 0.60 0.81 0.01 0.00 0.00 0.00 0.00 44.72 46.13 1jto s GLY 126 CO 0.31 1.20 -0.10 -0.51 0.00 0.00 0.00 173.10 174.00 1jto s THR 127 N -2.06 1.12 0.10 0.90 -4.23 -0.26 -4.93 115.64 106.28 1jto s THR 127 Ca 0.73 -0.39 -0.31 0.00 -1.18 0.00 0.00 61.69 60.54 1jto s THR 127 Cb -0.27 -1.08 -0.07 0.00 1.34 0.00 0.00 72.50 72.42 1jto s THR 127 CO 0.44 0.37 1.26 -1.58 -0.54 0.00 0.00 174.62 174.57 1jto s GLN 128 N 1.28 4.41 -0.09 3.99 2.00 -1.26 -1.16 119.66 128.83 1jto s GLN 128 Ca -0.03 1.89 0.03 0.00 -2.00 0.00 0.00 55.36 55.25 1jto s GLN 128 Cb -0.14 -3.29 0.01 0.00 0.80 0.00 0.00 33.01 30.39 1jto s GLN 128 CO -0.04 -0.28 -0.18 0.08 -0.50 0.00 0.00 175.29 174.38 1jto s VAL 129 N 0.82 1.62 -0.12 1.34 1.01 -0.57 -2.44 120.40 122.07 1jto s VAL 129 Ca 0.59 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 1jto s VAL 129 Cb -0.32 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.65 1jto s VAL 129 CO 0.31 0.46 -0.06 -0.89 0.00 0.00 0.00 175.10 174.93 1jto s THR 130 N 0.62 0.92 -0.36 3.92 2.01 0.43 -1.74 115.64 121.44 1jto s THR 130 Ca -0.14 -0.28 -0.10 0.00 0.31 0.00 0.00 61.69 61.48 1jto s THR 130 Cb -0.16 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.37 1jto s THR 130 CO 0.04 0.29 0.18 -0.69 -0.69 0.00 0.00 174.62 173.76 1jto s VAL 131 N 1.75 4.45 0.34 3.82 1.01 -1.26 -1.30 120.40 129.20 1jto s VAL 131 Ca 0.04 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 1jto s VAL 131 Cb -0.13 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1jto s VAL 131 CO -0.08 -0.19 0.58 -0.94 0.00 0.00 0.00 175.10 174.48 1jto s SER 132 N 1.54 6.36 0.00 3.32 1.04 -0.34 -4.26 113.70 121.36 1jto s SER 132 Ca 0.02 0.63 0.24 0.00 0.48 0.00 0.00 55.95 57.32 1jto s SER 132 Cb -0.19 -2.11 1.41 0.00 0.10 0.00 0.00 66.02 65.23 1jto s SER 132 CO 0.06 -0.29 1.78 -0.24 0.98 0.00 0.00 173.24 175.53