#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtp n VAL 2 N 0.00 -1.70 -3.98 2.53 0.31 -1.13 -4.98 118.33 109.38 1jtp n VAL 2 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1jtp n VAL 2 Cb 0.00 -2.34 -0.11 0.00 -0.91 0.00 0.00 33.84 30.49 1jtp n VAL 2 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1jtp s GLN 3 N -1.45 0.38 -0.18 5.55 2.00 -0.08 -4.95 119.66 120.93 1jtp s GLN 3 Ca 0.00 -0.67 0.01 0.00 -2.00 0.00 0.00 55.36 52.70 1jtp s GLN 3 Cb 0.00 0.14 0.02 0.00 0.80 0.00 0.00 33.01 33.97 1jtp s GLN 3 CO 0.00 -0.07 -0.19 -0.51 -0.50 0.00 0.00 175.29 174.02 1jtp s LEU 4 N -1.67 2.17 -0.22 3.68 1.43 -1.26 -0.17 118.68 122.64 1jtp s LEU 4 Ca -0.12 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 52.31 1jtp s LEU 4 Cb -0.07 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.66 1jtp s LEU 4 CO -0.02 0.00 -0.07 -1.58 0.23 0.00 0.00 176.35 174.92 1jtp s GLN 5 N 1.26 3.29 0.29 1.70 2.00 -0.08 -4.59 119.66 123.53 1jtp s GLN 5 Ca 0.04 -0.67 0.10 0.00 -2.00 0.00 0.00 55.36 52.83 1jtp s GLN 5 Cb -0.13 -2.94 -0.04 0.00 0.80 0.00 0.00 33.01 30.69 1jtp s GLN 5 CO -0.12 -0.21 -0.00 0.00 -0.50 0.00 0.00 175.29 174.46 1jtp s ALA 6 N 1.44 3.17 0.29 1.58 0.00 -1.26 -1.01 121.76 125.97 1jtp s ALA 6 Ca 0.05 -1.74 -0.20 0.00 0.00 0.00 0.00 51.96 50.08 1jtp s ALA 6 Cb -0.14 -0.67 0.04 0.00 0.00 0.00 0.00 23.12 22.35 1jtp s ALA 6 CO -0.05 0.21 0.79 -1.54 0.00 0.00 0.00 175.76 175.18 1jtp s SER 7 N -3.69 -0.16 0.00 0.00 1.04 -0.61 -4.99 113.70 105.30 1jtp s SER 7 Ca 0.32 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1jtp s SER 7 Cb -0.05 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1jtp s SER 7 CO 0.20 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 173.67 1jtp n GLY 8 N -0.50 -1.63 7.00 7.32 0.00 -1.26 -1.22 105.19 114.91 1jtp n GLY 8 Ca -0.05 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1jtp n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtp n GLY 9 N 0.00 -1.68 0.00 -0.02 0.00 -1.18 -4.91 105.19 97.41 1jtp n GLY 9 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1jtp n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtp n GLY 10 N 0.00 0.11 3.27 -0.02 0.00 -0.63 -4.96 105.19 102.95 1jtp n GLY 10 Ca 0.00 -1.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.01 1jtp n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jtp s SER 11 N -4.00 2.33 0.15 1.61 1.04 -1.26 -0.01 113.70 113.56 1jtp s SER 11 Ca 0.00 -0.72 -0.21 0.00 0.48 0.00 0.00 55.95 55.50 1jtp s SER 11 Cb 0.00 -0.12 0.06 0.00 0.10 0.00 0.00 66.02 66.06 1jtp s SER 11 CO 0.00 -0.01 0.55 0.54 0.98 0.00 0.00 173.24 175.30 1jtp s VAL 12 N -1.46 0.02 0.31 5.02 0.11 -0.50 -4.96 120.40 118.93 1jtp s VAL 12 Ca 0.07 -0.18 -0.17 0.00 -2.93 0.00 0.00 61.98 58.77 1jtp s VAL 12 Cb -0.09 -1.07 -0.09 0.00 -1.53 0.00 0.00 36.38 33.61 1jtp s VAL 12 CO 0.04 -0.08 0.76 -1.58 -3.33 0.00 0.00 175.10 170.90 1jtp s GLN 13 N -3.77 4.09 0.22 1.54 0.74 -1.26 -1.52 119.66 119.70 1jtp s GLN 13 Ca 0.02 0.77 -0.31 0.00 0.05 0.00 0.00 55.36 55.89 1jtp s GLN 13 Cb -0.00 -2.51 -0.15 0.00 1.10 0.00 0.00 33.01 31.45 1jtp s GLN 13 CO -0.12 0.19 1.08 0.00 -0.55 0.00 0.00 175.29 175.89 1jtp n ALA 14 N -0.14 -0.59 0.00 1.58 0.00 -0.01 -1.24 120.51 120.10 1jtp n ALA 14 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1jtp n ALA 14 Cb 0.53 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1jtp n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jtp n GLY 15 N 1.70 2.83 1.96 0.00 0.00 0.23 -4.94 105.19 106.97 1jtp n GLY 15 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1jtp n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtp n GLY 16 N -1.89 -0.63 3.38 -0.02 0.00 -0.37 -4.02 105.19 101.63 1jtp n GLY 16 Ca 0.00 -1.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.03 1jtp n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jtp s SER 17 N -3.33 2.64 0.03 1.61 0.01 -1.26 -1.44 113.70 111.96 1jtp s SER 17 Ca 0.37 -1.09 -0.25 0.00 1.31 0.00 0.00 55.95 56.28 1jtp s SER 17 Cb -0.01 -0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.13 1jtp s SER 17 CO 0.25 -0.24 0.58 -0.76 0.41 0.00 0.00 173.24 173.48 1jtp s LEU 18 N -3.37 -0.32 -0.02 2.44 1.43 -0.43 -4.97 118.68 113.44 1jtp s LEU 18 Ca 0.26 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.72 1jtp s LEU 18 Cb 0.01 2.31 -0.00 0.00 0.03 0.00 0.00 46.19 48.54 1jtp s LEU 18 CO 0.09 -0.71 -0.09 -0.60 0.23 0.00 0.00 176.35 175.27 1jtp s ARG 19 N -2.15 0.89 0.16 1.70 3.52 -1.26 0.11 118.95 121.92 1jtp s ARG 19 Ca -0.07 -0.32 0.11 0.00 -0.13 0.00 0.00 55.73 55.32 1jtp s ARG 19 Cb -0.01 -0.85 -0.04 0.00 -1.56 0.00 0.00 34.95 32.49 1jtp s ARG 19 CO 0.01 0.15 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.92 1jtp s LEU 20 N 0.05 2.53 0.08 -0.88 1.43 -0.01 -3.10 118.68 118.77 1jtp s LEU 20 Ca -0.01 -0.75 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 1jtp s LEU 20 Cb -0.07 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1jtp s LEU 20 CO 0.00 0.14 -0.06 -0.44 0.23 0.00 0.00 176.35 176.22 1jtp s SER 21 N -2.46 1.00 -0.22 2.29 0.01 -0.35 -0.90 113.70 113.07 1jtp s SER 21 Ca 0.19 -0.89 -0.09 0.00 1.31 0.00 0.00 55.95 56.47 1jtp s SER 21 Cb -0.09 0.09 0.09 0.00 0.21 0.00 0.00 66.02 66.32 1jtp s SER 21 CO 0.10 -0.42 0.50 0.00 0.41 0.00 0.00 173.24 173.83 1jtp s ALA 23 N 2.27 3.07 -0.19 0.00 0.00 -0.18 -0.58 121.76 126.16 1jtp s ALA 23 Ca -0.06 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 1jtp s ALA 23 Cb -0.10 -1.46 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 1jtp s ALA 23 CO -0.15 0.40 0.15 0.00 0.00 0.00 0.00 175.76 176.16 1jtp s ALA 24 N -0.25 3.70 0.16 0.00 0.00 0.59 -0.91 121.76 125.06 1jtp s ALA 24 Ca 0.04 -0.66 0.11 0.00 0.00 0.00 0.00 51.96 51.46 1jtp s ALA 24 Cb -0.13 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 1jtp s ALA 24 CO 0.02 0.21 -0.25 -1.12 0.00 0.00 0.00 175.76 174.63 1jtp s SER 25 N 0.20 3.43 0.00 0.00 0.01 0.76 -4.76 113.70 113.35 1jtp s SER 25 Ca 0.10 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1jtp s SER 25 Cb -0.11 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1jtp s SER 25 CO -0.01 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1jtp n GLY 26 N 0.56 1.12 3.90 3.44 0.00 -1.26 -0.90 105.19 112.05 1jtp n GLY 26 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1jtp n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jtp s TYR 27 N -2.65 3.49 -0.02 1.61 1.51 -1.26 -4.27 117.35 115.76 1jtp s TYR 27 Ca 0.00 0.78 -0.02 0.00 -1.01 0.00 0.00 57.07 56.82 1jtp s TYR 27 Cb 0.00 -2.23 -0.01 0.00 -0.11 0.00 0.00 41.96 39.60 1jtp s TYR 27 CO 0.00 0.02 -0.05 2.41 -1.11 0.00 0.00 175.55 176.82 1jtp n THR 28 N -1.28 0.41 -5.19 -0.71 -1.04 -1.26 -4.98 114.28 100.23 1jtp n THR 28 Ca -0.00 0.03 -0.32 0.00 -2.04 0.00 0.00 64.05 61.72 1jtp n THR 28 Cb 0.54 -1.58 -0.16 0.00 -1.82 0.00 0.00 70.33 67.31 1jtp n THR 28 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1jtp s ILE 29 N -2.08 2.16 0.00 12.58 -1.09 -1.26 -5.03 121.20 126.48 1jtp s ILE 29 Ca -0.05 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.37 1jtp s ILE 29 Cb 0.02 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 39.08 1jtp s ILE 29 CO 0.07 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.95 1jtp n GLY 30 N 3.26 -2.14 3.64 6.18 0.00 -1.26 -4.86 105.19 110.00 1jtp n GLY 30 Ca -0.18 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 1jtp n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jtp s PRO 31 N -0.17 0.67 0.09 1.61 0.04 -1.26 -4.84 135.00 131.14 1jtp s PRO 31 Ca 0.00 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 1jtp s PRO 31 Cb 0.00 -1.70 -0.21 0.00 0.04 0.00 0.00 34.50 32.64 1jtp s PRO 31 CO 0.00 -2.82 1.21 -0.92 0.04 0.00 0.00 177.00 174.51 1jtp h TYR 32 N -2.01 0.96 -3.96 0.56 5.03 -1.12 -3.42 116.97 113.02 1jtp h TYR 32 Ca -0.46 -0.53 -0.41 0.00 2.58 0.00 0.00 58.73 59.91 1jtp h TYR 32 Cb 1.28 -0.11 -0.22 0.00 1.55 0.00 0.00 36.73 39.23 1jtp h TYR 32 CO 0.46 1.36 -0.78 0.00 -1.32 0.00 0.00 178.16 177.89 1jtp s MET 34 N -1.66 0.40 0.23 0.00 -1.94 -1.08 -1.32 119.30 113.94 1jtp s MET 34 Ca -0.02 -0.40 -0.16 0.00 -1.71 0.00 0.00 55.69 53.41 1jtp s MET 34 Cb -0.10 -0.28 0.06 0.00 2.01 0.00 0.00 34.83 36.52 1jtp s MET 34 CO 0.02 0.07 0.79 0.41 -0.01 0.00 0.00 175.02 176.29 1jtp n GLY 35 N 2.35 0.88 3.08 -0.03 0.00 0.21 -1.33 105.19 110.35 1jtp n GLY 35 Ca -0.17 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.46 1jtp n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jtp s TRP 36 N -2.92 1.34 0.24 1.61 0.52 0.49 -0.58 118.94 119.64 1jtp s TRP 36 Ca 0.17 -0.35 0.09 0.00 0.02 0.00 0.00 56.10 56.03 1jtp s TRP 36 Cb -0.03 -0.91 -0.05 0.00 -1.15 0.00 0.00 33.47 31.33 1jtp s TRP 36 CO 0.07 -0.12 -0.14 -0.06 0.02 0.00 0.00 176.95 176.72 1jtp s PHE 37 N 0.05 1.90 0.04 -1.98 0.40 -0.40 -0.07 117.98 117.92 1jtp s PHE 37 Ca -0.02 -0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 55.76 1jtp s PHE 37 Cb -0.09 -0.91 -0.03 0.00 0.51 0.00 0.00 43.02 42.49 1jtp s PHE 37 CO 0.01 0.43 -0.03 -0.98 0.70 0.00 0.00 175.22 175.35 1jtp s ARG 38 N -3.63 0.50 -0.08 0.44 1.70 0.67 -0.34 118.95 118.22 1jtp s ARG 38 Ca 0.26 -1.00 -0.03 0.00 -0.47 0.00 0.00 55.73 54.49 1jtp s ARG 38 Cb -0.01 0.17 0.04 0.00 -0.57 0.00 0.00 34.95 34.58 1jtp s ARG 38 CO 0.10 -0.09 0.06 -1.14 -1.08 0.00 0.00 175.30 173.14 1jtp s GLN 39 N -3.03 0.09 -0.01 3.89 2.00 -0.32 0.23 119.66 122.50 1jtp s GLN 39 Ca -0.01 0.22 -0.05 0.00 -2.00 0.00 0.00 55.36 53.51 1jtp s GLN 39 Cb 0.01 -0.90 -0.04 0.00 0.80 0.00 0.00 33.01 32.88 1jtp s GLN 39 CO -0.07 -0.40 0.22 0.00 -0.50 0.00 0.00 175.29 174.54 1jtp s ALA 40 N 2.12 3.90 -0.41 1.58 0.00 -1.26 -1.75 121.76 125.94 1jtp s ALA 40 Ca 0.04 -0.66 -0.45 0.00 0.00 0.00 0.00 51.96 50.89 1jtp s ALA 40 Cb -0.13 -1.98 -0.19 0.00 0.00 0.00 0.00 23.12 20.81 1jtp s ALA 40 CO -0.05 0.69 1.55 -2.30 0.00 0.00 0.00 175.76 175.65 1jtp n PRO 41 N 1.10 0.15 0.00 0.00 -0.02 -1.26 -1.03 135.00 133.95 1jtp n PRO 41 Ca -0.12 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1jtp n PRO 41 Cb 0.53 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1jtp n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jtp n GLY 42 N 3.71 1.21 3.92 -1.23 0.00 -1.26 -4.97 105.19 106.56 1jtp n GLY 42 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 1jtp n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jtp s LYS 43 N 0.00 2.60 0.33 1.61 1.02 -0.19 -5.03 119.74 120.08 1jtp s LYS 43 Ca 0.00 -0.06 -0.28 0.00 0.02 0.00 0.00 55.97 55.65 1jtp s LYS 43 Cb 0.00 -2.20 -0.09 0.00 -0.52 0.00 0.00 37.83 35.02 1jtp s LYS 43 CO 0.00 -0.97 1.15 -1.21 -0.92 0.00 0.00 175.35 173.40 1jtp s GLU 44 N -5.14 4.40 0.48 1.68 2.02 -1.26 -4.64 118.70 116.23 1jtp s GLU 44 Ca 0.57 1.86 -0.24 0.00 0.02 0.00 0.00 54.97 57.18 1jtp s GLU 44 Cb -0.11 -2.98 -0.07 0.00 0.10 0.00 0.00 34.13 31.08 1jtp s GLU 44 CO 0.46 -0.03 1.35 0.50 0.02 0.00 0.00 175.26 177.56 1jtp s ARG 45 N -1.83 3.56 -0.06 1.61 3.52 -1.26 -4.71 118.95 119.78 1jtp s ARG 45 Ca 0.50 2.24 0.04 0.00 -0.13 0.00 0.00 55.73 58.37 1jtp s ARG 45 Cb -0.32 -2.51 0.00 0.00 -1.56 0.00 0.00 34.95 30.56 1jtp s ARG 45 CO 0.41 -0.86 -0.17 -2.00 -0.81 0.00 0.00 175.30 171.87 1jtp s GLU 46 N -2.60 2.02 0.23 5.12 2.12 0.13 -4.95 118.70 120.78 1jtp s GLU 46 Ca 0.64 -0.61 -0.30 0.00 0.36 0.00 0.00 54.97 55.06 1jtp s GLU 46 Cb -0.40 -1.67 -0.09 0.00 0.26 0.00 0.00 34.13 32.23 1jtp s GLU 46 CO 0.50 0.17 1.33 0.20 -0.54 0.00 0.00 175.26 176.92 1jtp s GLY 47 N 0.27 2.51 -0.11 -1.50 0.00 -1.22 -0.24 107.32 107.04 1jtp s GLY 47 Ca -0.10 1.17 -0.12 0.00 0.00 0.00 0.00 44.72 45.67 1jtp s GLY 47 CO 0.04 2.08 -0.25 -0.62 0.00 0.00 0.00 173.10 174.35 1jtp n VAL 48 N 2.29 1.38 -3.67 1.40 0.31 0.90 -4.48 118.33 116.45 1jtp n VAL 48 Ca 0.05 0.16 -0.14 0.00 -0.01 0.00 0.00 64.34 64.41 1jtp n VAL 48 Cb 0.42 -2.08 -0.07 0.00 -0.91 0.00 0.00 33.84 31.20 1jtp n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jtp s ALA 49 N -2.61 -1.07 0.12 3.52 0.00 -1.08 -0.52 121.76 120.12 1jtp s ALA 49 Ca -0.21 0.49 -0.09 0.00 0.00 0.00 0.00 51.96 52.14 1jtp s ALA 49 Cb 0.04 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.36 1jtp s ALA 49 CO 0.31 -0.38 0.24 0.00 0.00 0.00 0.00 175.76 175.93 1jtp s ALA 50 N -1.88 -0.19 -0.09 0.00 0.00 -0.51 -0.38 121.76 118.71 1jtp s ALA 50 Ca -0.09 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 1jtp s ALA 50 Cb -0.02 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.75 1jtp s ALA 50 CO 0.02 -0.57 0.23 -1.50 0.00 0.00 0.00 175.76 173.95 1jtp s ILE 51 N -3.89 -0.00 -0.26 0.00 2.07 -0.44 -1.29 121.20 117.38 1jtp s ILE 51 Ca 0.09 0.01 -0.29 0.00 -1.41 0.00 0.00 60.65 59.05 1jtp s ILE 51 Cb 0.04 -0.33 0.01 0.00 0.13 0.00 0.00 42.46 42.31 1jtp s ILE 51 CO -0.07 0.00 1.05 0.20 -1.91 0.00 0.00 174.94 174.21 1jtp s ASN 52 N 0.20 7.04 0.55 4.50 -0.87 -0.63 -2.62 114.94 123.11 1jtp s ASN 52 Ca -0.01 1.27 0.29 0.00 -1.57 0.00 0.00 52.86 52.84 1jtp s ASN 52 Cb -0.02 -2.54 1.61 0.00 -0.02 0.00 0.00 41.25 40.28 1jtp s ASN 52 CO -0.00 -0.73 2.15 0.24 -2.57 0.00 0.00 177.10 176.18 1jtp h MET 53 N 7.65 0.00 -4.48 -0.60 2.86 -1.43 -0.49 114.93 118.44 1jtp h MET 53 Ca -0.20 0.00 -0.72 0.00 -2.06 0.00 0.00 59.70 56.73 1jtp h MET 53 Cb 1.06 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 32.46 1jtp h MET 53 CO 0.99 0.07 -0.47 0.20 1.06 0.00 0.00 176.91 178.77 1jtp s GLY 54 N -4.16 1.96 0.00 8.32 0.00 -1.26 -4.37 107.32 107.81 1jtp s GLY 54 Ca -0.04 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.69 1jtp s GLY 54 CO 0.57 0.93 0.00 0.61 0.00 0.00 0.00 173.10 175.21 1jtp n GLY 55 N 4.98 2.37 2.32 0.20 0.00 -1.26 -4.73 105.19 109.07 1jtp n GLY 55 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1jtp n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtp n GLY 56 N -0.37 0.37 3.76 -0.02 0.00 -0.19 -5.00 105.19 103.75 1jtp n GLY 56 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1jtp n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jtp s ILE 57 N -1.78 2.82 0.18 -0.61 1.01 -1.26 -4.70 121.20 116.86 1jtp s ILE 57 Ca 0.00 0.77 0.07 0.00 0.00 0.00 0.00 60.65 61.49 1jtp s ILE 57 Cb 0.00 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1jtp s ILE 57 CO 0.00 0.16 0.01 0.42 0.00 0.00 0.00 174.94 175.53 1jtp s THR 58 N -0.72 3.75 0.01 2.92 -4.23 -1.26 -1.61 115.64 114.50 1jtp s THR 58 Ca 0.52 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 1jtp s THR 58 Cb -0.39 -2.90 -0.01 0.00 1.34 0.00 0.00 72.50 70.54 1jtp s THR 58 CO 0.48 -0.12 -0.03 -0.31 -0.54 0.00 0.00 174.62 174.10 1jtp s TYR 59 N -1.76 0.27 0.01 3.99 1.51 -0.41 -4.99 117.35 115.97 1jtp s TYR 59 Ca 0.28 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 1jtp s TYR 59 Cb -0.09 -0.18 -0.01 0.00 -0.11 0.00 0.00 41.96 41.57 1jtp s TYR 59 CO 0.19 -0.06 -0.04 0.71 -1.11 0.00 0.00 175.55 175.24 1jtp s TYR 60 N -0.56 0.37 0.37 2.71 2.02 -1.26 -1.42 117.35 119.58 1jtp s TYR 60 Ca -0.05 -0.24 -0.27 0.00 -0.37 0.00 0.00 57.07 56.14 1jtp s TYR 60 Cb -0.04 -0.23 -0.09 0.00 -0.40 0.00 0.00 41.96 41.19 1jtp s TYR 60 CO -0.00 -0.06 1.22 0.00 -1.57 0.00 0.00 175.55 175.14 1jtp s ALA 61 N -0.63 3.28 0.46 3.71 0.00 0.32 -4.86 121.76 124.04 1jtp s ALA 61 Ca -0.05 1.08 0.21 0.00 0.00 0.00 0.00 51.96 53.21 1jtp s ALA 61 Cb -0.05 -3.42 1.20 0.00 0.00 0.00 0.00 23.12 20.85 1jtp s ALA 61 CO -0.00 -0.58 1.89 -0.44 0.00 0.00 0.00 175.76 176.63 1jtp h ASP 62 N 2.94 0.27 0.35 0.00 3.32 -1.94 -0.90 116.42 120.47 1jtp h ASP 62 Ca -0.49 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1jtp h ASP 62 Cb 1.23 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1jtp h ASP 62 CO 0.64 0.11 0.00 0.77 -1.72 0.00 0.00 179.24 179.04 1jtp h SER 63 N 0.28 0.00 0.00 6.45 4.64 -1.96 -3.02 113.55 119.93 1jtp h SER 63 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1jtp h SER 63 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1jtp h SER 63 CO -0.11 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.18 1jtp n VAL 64 N -2.41 0.00 -1.63 0.95 0.24 -0.38 -4.99 118.33 110.11 1jtp n VAL 64 Ca -0.00 -0.47 -0.51 0.00 -2.04 0.00 0.00 64.34 61.32 1jtp n VAL 64 Cb 0.13 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.46 1jtp n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1jtp n LYS 65 N -0.65 1.45 0.00 7.34 5.02 -0.94 -0.69 118.16 129.70 1jtp n LYS 65 Ca 0.00 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1jtp n LYS 65 Cb 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 1jtp n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jtp n GLY 66 N 3.01 3.17 0.11 0.72 0.00 -1.26 -4.77 105.19 106.18 1jtp n GLY 66 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 1jtp n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jtp n ARG 67 N -1.80 0.60 -4.10 1.61 1.74 0.14 -4.99 116.66 109.85 1jtp n ARG 67 Ca 0.00 0.13 -0.33 0.00 -0.77 0.00 0.00 57.85 56.87 1jtp n ARG 67 Cb 0.00 -1.46 -0.07 0.00 -1.02 0.00 0.00 32.46 29.91 1jtp n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jtp s PHE 68 N -2.46 3.30 -0.08 -1.55 0.40 -0.68 -1.55 117.98 115.37 1jtp s PHE 68 Ca -0.30 0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 1jtp s PHE 68 Cb 0.08 -1.75 0.02 0.00 0.51 0.00 0.00 43.02 41.88 1jtp s PHE 68 CO 0.54 0.56 -0.06 0.99 0.70 0.00 0.00 175.22 177.95 1jtp s THR 69 N -1.17 0.76 0.08 0.64 2.01 0.07 -4.83 115.64 113.19 1jtp s THR 69 Ca 0.22 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.01 1jtp s THR 69 Cb -0.12 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 1jtp s THR 69 CO 0.13 0.30 0.30 -0.51 -0.69 0.00 0.00 174.62 174.16 1jtp s ILE 70 N 1.43 5.26 0.19 1.82 2.07 -1.26 -1.08 121.20 129.62 1jtp s ILE 70 Ca -0.02 -0.02 -0.12 0.00 -1.41 0.00 0.00 60.65 59.08 1jtp s ILE 70 Cb -0.13 -3.61 0.00 0.00 0.13 0.00 0.00 42.46 38.85 1jtp s ILE 70 CO -0.04 0.17 0.38 -0.94 -1.91 0.00 0.00 174.94 172.60 1jtp s SER 71 N -2.22 -0.06 0.06 4.50 1.04 -0.70 -4.98 113.70 111.33 1jtp s SER 71 Ca 0.35 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 56.02 1jtp s SER 71 Cb -0.13 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 1jtp s SER 71 CO 0.23 -0.98 -0.06 0.00 0.98 0.00 0.00 173.24 173.41 1jtp s GLN 72 N -3.95 0.60 -0.50 4.02 -2.07 -1.26 -0.14 119.66 116.36 1jtp s GLN 72 Ca 0.16 -0.99 0.01 0.00 -1.82 0.00 0.00 55.36 52.72 1jtp s GLN 72 Cb 0.01 -0.11 0.13 0.00 -1.09 0.00 0.00 33.01 31.96 1jtp s GLN 72 CO 0.01 -0.02 0.26 0.34 -1.32 0.00 0.00 175.29 174.56 1jtp s ASP 73 N -2.24 4.78 0.16 12.60 -1.08 0.94 -4.99 116.67 126.85 1jtp s ASP 73 Ca -0.01 -2.66 -0.27 0.00 -0.52 0.00 0.00 52.55 49.08 1jtp s ASP 73 Cb -0.02 -1.72 -0.00 0.00 -1.46 0.00 0.00 42.92 39.72 1jtp s ASP 73 CO -0.03 -0.34 1.57 -1.13 0.52 0.00 0.00 175.17 175.75 1jtp h ASN 74 N 7.08 -1.53 -0.77 -0.34 -0.73 -1.95 -0.32 115.58 117.02 1jtp h ASN 74 Ca -0.06 0.24 0.09 0.00 1.87 0.00 0.00 56.30 58.44 1jtp h ASN 74 Cb 0.95 0.68 -0.07 0.00 0.27 0.00 0.00 38.32 40.15 1jtp h ASN 74 CO 0.66 -0.36 0.42 0.00 -0.37 0.00 0.00 177.43 177.78 1jtp h ALA 75 N 0.45 1.08 -0.19 1.57 0.00 -1.96 0.09 119.26 120.30 1jtp h ALA 75 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1jtp h ALA 75 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jtp h ALA 75 CO -0.64 0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.28 1jtp n LYS 76 N -4.80 1.53 -4.27 0.00 5.02 -0.75 -4.90 118.16 110.00 1jtp n LYS 76 Ca 0.12 -0.82 -0.32 0.00 -2.02 0.00 0.00 58.31 55.27 1jtp n LYS 76 Cb 0.27 -1.26 -0.07 0.00 -0.02 0.00 0.00 35.03 33.95 1jtp n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jtp n ASN 77 N 0.11 -0.30 -4.26 4.39 3.02 0.02 -4.57 115.26 113.67 1jtp n ASN 77 Ca 0.11 -1.18 -0.29 0.00 -0.03 0.00 0.00 54.58 53.19 1jtp n ASN 77 Cb 0.22 -2.05 -0.16 0.00 -0.61 0.00 0.00 39.78 37.18 1jtp n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jtp s THR 78 N -3.97 1.84 0.13 3.41 2.01 -1.01 -0.30 115.64 117.75 1jtp s THR 78 Ca 0.24 -0.99 0.11 0.00 0.31 0.00 0.00 61.69 61.36 1jtp s THR 78 Cb -0.13 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 1jtp s THR 78 CO 0.97 0.52 -0.26 0.54 -0.69 0.00 0.00 174.62 175.70 1jtp s VAL 79 N -0.48 2.32 0.13 3.82 0.11 0.25 -0.04 120.40 126.51 1jtp s VAL 79 Ca 0.07 -1.74 0.06 0.00 -2.93 0.00 0.00 61.98 57.45 1jtp s VAL 79 Cb -0.10 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.68 1jtp s VAL 79 CO -0.00 0.09 -0.15 -0.31 -3.33 0.00 0.00 175.10 171.40 1jtp s TYR 80 N -1.08 1.49 -0.22 1.54 2.02 0.80 -0.74 117.35 121.17 1jtp s TYR 80 Ca 0.15 -0.55 -0.03 0.00 -0.37 0.00 0.00 57.07 56.27 1jtp s TYR 80 Cb -0.10 -0.77 0.07 0.00 -0.40 0.00 0.00 41.96 40.76 1jtp s TYR 80 CO 0.06 0.19 0.06 -1.17 -1.57 0.00 0.00 175.55 173.13 1jtp s LEU 81 N -2.55 1.12 -0.25 -1.29 2.96 -0.07 -1.73 118.68 116.87 1jtp s LEU 81 Ca 0.11 -0.96 -0.22 0.00 -0.22 0.00 0.00 54.13 52.84 1jtp s LEU 81 Cb -0.05 -0.55 -0.01 0.00 0.50 0.00 0.00 46.19 46.08 1jtp s LEU 81 CO 0.04 -0.34 0.71 -0.22 -1.32 0.00 0.00 176.35 175.21 1jtp s LEU 82 N 1.90 4.07 -0.33 -0.68 2.96 -0.24 -0.83 118.68 125.53 1jtp s LEU 82 Ca 0.02 0.83 -0.02 0.00 -0.22 0.00 0.00 54.13 54.74 1jtp s LEU 82 Cb -0.17 -2.99 0.07 0.00 0.50 0.00 0.00 46.19 43.60 1jtp s LEU 82 CO -0.14 -0.43 0.06 -0.04 -1.32 0.00 0.00 176.35 174.47 1jtp s MET 83 N 2.65 2.30 0.29 1.98 -1.94 0.12 -0.76 119.30 123.93 1jtp s MET 83 Ca 0.30 -1.42 0.06 0.00 -1.71 0.00 0.00 55.69 52.92 1jtp s MET 83 Cb -0.15 -3.30 -0.02 0.00 2.01 0.00 0.00 34.83 33.37 1jtp s MET 83 CO 0.08 -0.75 0.35 -0.80 -0.01 0.00 0.00 175.02 173.89 1jtp s ASN 84 N 1.38 5.89 -1.42 3.03 0.02 -0.59 -1.32 114.94 121.94 1jtp s ASN 84 Ca -0.01 -0.16 -0.02 0.00 -1.02 0.00 0.00 52.86 51.65 1jtp s ASN 84 Cb -0.20 -1.44 0.01 0.00 0.02 0.00 0.00 41.25 39.64 1jtp s ASN 84 CO -0.02 -0.22 0.47 -1.20 0.02 0.00 0.00 177.10 176.15 1jtp n SER 85 N -1.43 -0.63 -4.76 -1.22 7.64 -1.15 -4.61 113.62 107.45 1jtp n SER 85 Ca -0.05 -0.99 -0.39 0.00 1.01 0.00 0.00 58.87 58.45 1jtp n SER 85 Cb 0.58 -3.11 0.01 0.00 -1.01 0.00 0.00 64.21 60.67 1jtp n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1jtp s LEU 86 N -6.97 4.06 0.15 -3.43 1.43 -0.52 -4.62 118.68 108.77 1jtp s LEU 86 Ca 0.06 2.62 0.06 0.00 -1.03 0.00 0.00 54.13 55.85 1jtp s LEU 86 Cb -0.03 -4.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 1jtp s LEU 86 CO 0.89 -1.09 -0.13 -1.61 0.23 0.00 0.00 176.35 174.64 1jtp s GLU 87 N -2.54 1.11 0.41 1.70 0.41 -1.26 0.76 118.70 119.29 1jtp s GLU 87 Ca 0.63 -1.41 0.20 0.00 -0.41 0.00 0.00 54.97 53.97 1jtp s GLU 87 Cb -0.37 -0.85 1.14 0.00 -1.78 0.00 0.00 34.13 32.27 1jtp s GLU 87 CO 0.46 0.14 1.77 -1.35 -0.49 0.00 0.00 175.26 175.79 1jtp h PRO 88 N 2.99 0.35 0.00 0.39 0.11 -1.87 0.42 132.00 134.39 1jtp h PRO 88 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1jtp h PRO 88 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1jtp h PRO 88 CO 0.58 0.23 0.00 0.39 -0.21 0.00 0.00 178.00 179.00 1jtp n GLU 89 N -4.60 0.12 0.00 1.05 4.71 -1.26 -1.19 120.64 119.46 1jtp n GLU 89 Ca 0.26 0.57 0.15 0.00 -0.01 0.00 0.00 57.16 58.12 1jtp n GLU 89 Cb 0.91 -1.85 0.67 0.00 -1.01 0.00 0.00 31.44 30.16 1jtp n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1jtp n ASP 90 N -2.09 0.52 -4.69 1.62 8.00 0.15 -4.86 116.55 115.20 1jtp n ASP 90 Ca -0.00 -0.79 -0.42 0.00 0.71 0.00 0.00 54.79 54.28 1jtp n ASP 90 Cb 0.06 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 1jtp n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jtp s THR 91 N -2.31 3.28 0.00 -3.53 2.01 -0.33 -4.86 115.64 109.90 1jtp s THR 91 Ca 0.34 0.74 0.00 0.00 0.31 0.00 0.00 61.69 63.08 1jtp s THR 91 Cb 0.21 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1jtp s THR 91 CO 0.43 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.37 1jtp n ALA 92 N 5.33 0.00 -2.67 7.40 0.00 -0.58 -4.67 120.51 125.32 1jtp n ALA 92 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.19 1jtp n ALA 92 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 1jtp n ALA 92 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jtp s ILE 93 N -2.00 5.06 -0.17 0.00 1.01 -0.72 -0.85 121.20 123.53 1jtp s ILE 93 Ca 0.00 1.12 -0.09 0.00 0.00 0.00 0.00 60.65 61.68 1jtp s ILE 93 Cb 0.00 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 1jtp s ILE 93 CO 0.00 0.16 0.12 -0.31 0.00 0.00 0.00 174.94 174.91 1jtp s TYR 94 N 1.65 3.46 -0.11 3.97 1.51 0.60 -1.18 117.35 127.25 1jtp s TYR 94 Ca 0.28 0.38 0.02 0.00 -1.01 0.00 0.00 57.07 56.73 1jtp s TYR 94 Cb -0.16 -2.07 -0.01 0.00 -0.11 0.00 0.00 41.96 39.61 1jtp s TYR 94 CO 0.11 0.44 -0.17 0.71 -1.11 0.00 0.00 175.55 175.53 1jtp s TYR 95 N -0.15 2.70 0.21 2.71 2.02 0.54 -0.46 117.35 124.92 1jtp s TYR 95 Ca 0.10 -0.69 -0.24 0.00 -0.37 0.00 0.00 57.07 55.87 1jtp s TYR 95 Cb -0.11 -1.76 -0.08 0.00 -0.40 0.00 0.00 41.96 39.60 1jtp s TYR 95 CO 0.00 -0.21 0.80 0.00 -1.57 0.00 0.00 175.55 174.57 1jtp s ALA 97 N -1.33 -0.22 0.02 0.00 0.00 0.25 -0.59 121.76 119.89 1jtp s ALA 97 Ca 0.40 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.88 1jtp s ALA 97 Cb -0.21 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 1jtp s ALA 97 CO 0.25 -0.40 -0.03 0.00 0.00 0.00 0.00 175.76 175.57 1jtp s ALA 98 N -3.06 0.21 -0.33 0.00 0.00 0.52 -0.62 121.76 118.48 1jtp s ALA 98 Ca -0.01 -0.46 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 1jtp s ALA 98 Cb 0.01 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1jtp s ALA 98 CO -0.07 -0.07 0.13 0.34 0.00 0.00 0.00 175.76 176.09 1jtp s ASP 99 N -1.03 5.38 0.04 0.00 -1.08 -0.43 -1.70 116.67 117.86 1jtp s ASP 99 Ca -0.10 -0.94 0.28 0.00 -0.52 0.00 0.00 52.55 51.27 1jtp s ASP 99 Cb -0.07 -1.92 0.98 0.00 -1.46 0.00 0.00 42.92 40.45 1jtp s ASP 99 CO -0.00 -0.29 1.77 -1.20 0.52 0.00 0.00 175.17 175.97 1jtp n SER 100 N 4.88 0.27 -4.69 -0.34 7.64 -1.26 -0.67 113.62 119.45 1jtp n SER 100 Ca -0.13 0.36 -0.42 0.00 1.01 0.00 0.00 58.87 59.68 1jtp n SER 100 Cb 0.46 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 1jtp n SER 100 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jtp s THR 101 N -3.03 3.63 -0.75 0.44 2.01 -1.26 -4.59 115.64 112.09 1jtp s THR 101 Ca 0.12 1.04 -0.19 0.00 0.31 0.00 0.00 61.69 62.97 1jtp s THR 101 Cb 0.17 -3.67 0.12 0.00 0.01 0.00 0.00 72.50 69.13 1jtp s THR 101 CO 0.58 0.00 0.92 -0.63 -0.69 0.00 0.00 174.62 174.81 1jtp s ILE 102 N 2.31 4.75 0.50 1.82 -1.09 -1.26 -4.47 121.20 123.76 1jtp s ILE 102 Ca 0.65 -1.21 -0.24 0.00 -2.23 0.00 0.00 60.65 57.62 1jtp s ILE 102 Cb -0.32 -4.64 -0.07 0.00 -1.58 0.00 0.00 42.46 35.85 1jtp s ILE 102 CO 0.27 -1.33 1.41 -0.31 -1.23 0.00 0.00 174.94 173.75 1jtp s TYR 103 N 2.75 2.34 0.01 3.97 2.02 -1.26 -4.95 117.35 122.22 1jtp s TYR 103 Ca 0.22 1.30 -0.25 0.00 -0.37 0.00 0.00 57.07 57.97 1jtp s TYR 103 Cb -0.14 -3.90 -0.15 0.00 -0.40 0.00 0.00 41.96 37.37 1jtp s TYR 103 CO -0.00 -3.02 1.13 0.00 -1.57 0.00 0.00 175.55 172.09 1jtp h ALA 104 N 1.91 -0.69 -1.55 3.71 0.00 -2.04 -3.46 119.26 117.14 1jtp h ALA 104 Ca -0.51 -0.19 -0.43 0.00 0.00 0.00 0.00 54.91 53.78 1jtp h ALA 104 Cb 1.28 0.27 0.03 0.00 0.00 0.00 0.00 17.79 19.37 1jtp h ALA 104 CO 0.59 -0.72 -0.19 -1.12 0.00 0.00 0.00 179.25 177.81 1jtp s SER 105 N -4.76 5.54 0.32 0.00 0.01 -1.26 -5.05 113.70 108.51 1jtp s SER 105 Ca -0.14 -0.30 -0.29 0.00 1.31 0.00 0.00 55.95 56.53 1jtp s SER 105 Cb 0.02 -0.71 -0.11 0.00 0.21 0.00 0.00 66.02 65.42 1jtp s SER 105 CO 0.46 -0.88 1.57 -0.47 0.41 0.00 0.00 173.24 174.34 1jtp s TYR 106 N -2.47 2.68 -0.04 2.43 5.04 -1.26 -4.99 117.35 118.74 1jtp s TYR 106 Ca 0.56 0.88 0.02 0.00 -2.44 0.00 0.00 57.07 56.09 1jtp s TYR 106 Cb -0.10 -4.07 0.01 0.00 0.35 0.00 0.00 41.96 38.15 1jtp s TYR 106 CO 0.35 -3.47 -0.07 -0.47 -1.34 0.00 0.00 175.55 170.54 1jtp s TYR 107 N -0.34 0.91 -0.22 4.97 5.04 -1.26 -5.12 117.35 121.33 1jtp s TYR 107 Ca 0.60 -0.26 -0.20 0.00 -2.44 0.00 0.00 57.07 54.77 1jtp s TYR 107 Cb -0.48 -0.72 -0.03 0.00 0.35 0.00 0.00 41.96 41.09 1jtp s TYR 107 CO 0.53 -0.17 0.58 -1.21 -1.34 0.00 0.00 175.55 173.94 1jtp s GLU 108 N 0.62 4.16 0.10 4.97 2.02 -1.26 -4.94 118.70 124.37 1jtp s GLU 108 Ca -0.09 0.50 0.18 0.00 0.02 0.00 0.00 54.97 55.57 1jtp s GLU 108 Cb -0.13 -3.60 0.75 0.00 0.10 0.00 0.00 34.13 31.25 1jtp s GLU 108 CO 0.01 -0.28 1.55 0.00 0.02 0.00 0.00 175.26 176.56 1jtp h GLY 110 N 2.29 0.00 1.01 0.00 0.00 -1.92 -3.31 103.07 101.14 1jtp h GLY 110 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1jtp h GLY 110 CO 0.00 0.00 -0.15 0.84 0.00 0.00 0.00 176.54 177.23 1jtp h HIS 111 N 0.00 -0.39 -0.02 5.60 6.17 -1.77 -2.58 115.15 122.17 1jtp h HIS 111 Ca 0.00 -0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.02 1jtp h HIS 111 Cb 0.68 0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.74 1jtp h HIS 111 CO 0.00 -0.24 -0.21 0.78 0.71 0.00 0.00 177.93 178.97 1jtp h GLY 112 N -0.42 0.03 0.59 5.26 0.00 -1.74 -2.26 103.07 104.52 1jtp h GLY 112 Ca -0.04 -0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.36 1jtp h GLY 112 CO 0.07 0.02 0.56 -2.00 0.00 0.00 0.00 176.54 175.19 1jtp h LEU 113 N 0.03 0.85 0.00 3.11 5.85 -1.55 0.27 115.31 123.86 1jtp h LEU 113 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1jtp h LEU 113 Cb 0.39 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1jtp h LEU 113 CO 0.03 0.50 -1.17 -1.54 -0.34 0.00 0.00 178.44 175.91 1jtp n SER 114 N -4.64 0.61 -2.42 1.25 3.41 -1.09 -3.39 113.62 107.35 1jtp n SER 114 Ca 0.15 -0.39 -0.34 0.00 -0.26 0.00 0.00 58.87 58.03 1jtp n SER 114 Cb 0.26 1.04 0.06 0.00 -0.26 0.00 0.00 64.21 65.31 1jtp n SER 114 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jtp n THR 115 N -1.87 3.47 -1.01 6.66 -2.24 -0.87 -4.86 114.28 113.54 1jtp n THR 115 Ca 0.02 -3.41 -0.00 0.00 -2.27 0.00 0.00 64.05 58.38 1jtp n THR 115 Cb 0.43 -1.18 -0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1jtp n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jtp n GLY 116 N -0.81 0.47 1.81 3.38 0.00 -1.24 -3.45 105.19 105.36 1jtp n GLY 116 Ca 0.58 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1jtp n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtp n GLY 117 N -2.75 0.45 3.68 -0.02 0.00 0.92 -4.98 105.19 102.49 1jtp n GLY 117 Ca -0.00 -0.85 -0.46 0.00 0.00 0.00 0.00 46.02 44.71 1jtp n GLY 117 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jtp n TYR 118 N -2.91 2.37 0.00 1.61 9.36 -1.22 -1.57 117.16 124.80 1jtp n TYR 118 Ca 0.00 0.13 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1jtp n TYR 118 Cb 0.00 -2.61 0.00 0.00 -0.63 0.00 0.00 39.34 36.10 1jtp n TYR 118 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1jtp n GLY 119 N 3.78 3.23 3.55 2.98 0.00 -1.26 -4.25 105.19 113.22 1jtp n GLY 119 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1jtp n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jtp s TYR 120 N -2.84 2.10 -0.17 1.61 1.51 -0.61 -4.46 117.35 114.49 1jtp s TYR 120 Ca 0.00 0.21 0.22 0.00 -1.01 0.00 0.00 57.07 56.50 1jtp s TYR 120 Cb 0.00 -4.46 -0.13 0.00 -0.11 0.00 0.00 41.96 37.25 1jtp s TYR 120 CO 0.00 -2.14 0.82 -0.40 -1.11 0.00 0.00 175.55 172.71 1jtp n ASP 121 N 10.38 0.50 -4.36 2.29 5.68 -0.69 -4.89 116.55 125.48 1jtp n ASP 121 Ca 0.08 0.17 -0.32 0.00 -0.50 0.00 0.00 54.79 54.22 1jtp n ASP 121 Cb 0.50 1.08 -0.15 0.00 -1.14 0.00 0.00 41.12 41.41 1jtp n ASP 121 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1jtp s SER 122 N -4.96 3.64 0.00 -1.12 0.01 -0.77 -5.00 113.70 105.50 1jtp s SER 122 Ca -0.03 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 56.90 1jtp s SER 122 Cb 0.12 -1.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.22 1jtp s SER 122 CO 0.84 0.24 -0.12 0.26 0.41 0.00 0.00 173.24 174.87 1jtp s TRP 123 N -0.14 1.11 0.90 2.43 0.52 -1.26 -0.36 118.94 122.15 1jtp s TRP 123 Ca -0.02 -0.24 -0.14 0.00 0.02 0.00 0.00 56.10 55.71 1jtp s TRP 123 Cb -0.14 -0.70 0.17 0.00 -1.15 0.00 0.00 33.47 31.65 1jtp s TRP 123 CO 0.04 -0.01 1.26 0.20 0.02 0.00 0.00 176.95 178.46 1jtp s GLY 124 N -0.50 1.74 0.09 0.98 0.00 0.24 -4.70 107.32 105.16 1jtp s GLY 124 Ca 0.04 -1.12 0.27 0.00 0.00 0.00 0.00 44.72 43.91 1jtp s GLY 124 CO -0.00 -0.43 1.75 -1.06 0.00 0.00 0.00 173.10 173.36 1jtp n GLN 125 N -3.58 0.12 0.00 2.90 6.02 -1.26 -4.72 117.38 116.86 1jtp n GLN 125 Ca 0.13 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1jtp n GLN 125 Cb 0.60 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 30.23 1jtp n GLN 125 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jtp n GLY 126 N 1.41 2.35 2.96 1.08 0.00 -1.26 -5.05 105.19 106.69 1jtp n GLY 126 Ca 0.06 -1.40 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 1jtp n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jtp s THR 127 N -0.16 1.25 0.23 2.61 2.01 0.40 -4.91 115.64 117.08 1jtp s THR 127 Ca 0.00 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 1jtp s THR 127 Cb 0.00 -1.21 -0.09 0.00 0.01 0.00 0.00 72.50 71.21 1jtp s THR 127 CO 0.00 0.40 1.18 -1.58 -0.69 0.00 0.00 174.62 173.93 1jtp s GLN 128 N 1.51 4.52 -0.08 4.92 2.00 -1.26 -0.29 119.66 130.97 1jtp s GLN 128 Ca 0.03 1.90 0.01 0.00 -2.00 0.00 0.00 55.36 55.29 1jtp s GLN 128 Cb -0.13 -3.20 0.02 0.00 0.80 0.00 0.00 33.01 30.50 1jtp s GLN 128 CO -0.08 -0.00 -0.10 0.08 -0.50 0.00 0.00 175.29 174.69 1jtp s VAL 129 N -0.55 1.05 -0.11 1.34 1.01 -0.03 -1.60 120.40 121.51 1jtp s VAL 129 Ca 0.50 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1jtp s VAL 129 Cb -0.33 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1jtp s VAL 129 CO 0.40 0.35 -0.11 -0.89 0.00 0.00 0.00 175.10 174.86 1jtp s THR 130 N 1.12 1.19 -0.33 3.92 2.01 0.98 -1.53 115.64 123.00 1jtp s THR 130 Ca -0.06 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 61.48 1jtp s THR 130 Cb -0.14 -1.15 0.06 0.00 0.01 0.00 0.00 72.50 71.28 1jtp s THR 130 CO -0.02 0.39 0.07 -0.69 -0.69 0.00 0.00 174.62 173.68 1jtp s VAL 131 N 1.35 3.25 0.37 3.82 1.01 -1.26 -1.41 120.40 127.52 1jtp s VAL 131 Ca -0.01 -1.48 -0.24 0.00 0.00 0.00 0.00 61.98 60.25 1jtp s VAL 131 Cb -0.14 -2.95 -0.10 0.00 0.00 0.00 0.00 36.38 33.19 1jtp s VAL 131 CO -0.05 -0.26 0.95 -0.94 0.00 0.00 0.00 175.10 174.80 1jtp s SER 132 N 1.43 7.16 0.00 3.32 1.04 -0.58 -4.17 113.70 121.90 1jtp s SER 132 Ca -0.01 1.78 0.27 0.00 0.48 0.00 0.00 55.95 58.47 1jtp s SER 132 Cb -0.20 -2.56 1.61 0.00 0.10 0.00 0.00 66.02 64.96 1jtp s SER 132 CO -0.01 -0.20 1.96 -0.24 0.98 0.00 0.00 173.24 175.73