#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtt s VAL 2 N 0.00 4.30 -0.02 5.18 1.01 -1.26 -4.30 120.40 125.31 1jtt s VAL 2 Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 61.98 63.95 1jtt s VAL 2 Cb 0.00 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.13 1jtt s VAL 2 CO 0.00 0.44 0.01 -1.58 0.00 0.00 0.00 175.10 173.97 1jtt s GLN 3 N -0.75 0.17 -0.14 2.72 0.74 -0.57 -4.99 119.66 116.83 1jtt s GLN 3 Ca 0.41 0.09 -0.01 0.00 0.05 0.00 0.00 55.36 55.91 1jtt s GLN 3 Cb -0.24 -0.35 -0.01 0.00 1.10 0.00 0.00 33.01 33.50 1jtt s GLN 3 CO 0.30 -0.12 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.28 1jtt s LEU 4 N 0.86 2.71 -0.14 3.68 1.43 -1.26 -0.54 118.68 125.42 1jtt s LEU 4 Ca -0.08 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1jtt s LEU 4 Cb -0.11 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1jtt s LEU 4 CO -0.02 0.14 -0.15 -1.10 0.23 0.00 0.00 176.35 175.45 1jtt s GLN 5 N 0.53 2.29 0.22 1.70 -0.21 -0.41 -4.50 119.66 119.29 1jtt s GLN 5 Ca -0.08 -0.56 0.09 0.00 0.02 0.00 0.00 55.36 54.83 1jtt s GLN 5 Cb -0.16 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 31.75 1jtt s GLN 5 CO 0.04 -0.19 -0.06 0.00 -2.12 0.00 0.00 175.29 172.96 1jtt s ALA 6 N 1.35 3.05 0.29 6.09 0.00 -1.26 -0.77 121.76 130.50 1jtt s ALA 6 Ca 0.02 -1.57 -0.06 0.00 0.00 0.00 0.00 51.96 50.35 1jtt s ALA 6 Cb -0.13 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 1jtt s ALA 6 CO -0.08 0.37 0.43 -1.54 0.00 0.00 0.00 175.76 174.94 1jtt s SER 7 N -3.24 0.40 0.00 0.00 1.04 -0.42 -4.97 113.70 106.52 1jtt s SER 7 Ca 0.28 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1jtt s SER 7 Cb -0.08 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1jtt s SER 7 CO 0.17 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1jtt n GLY 8 N -0.45 0.41 3.68 7.32 0.00 -1.26 -1.46 105.19 113.42 1jtt n GLY 8 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1jtt n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jtt s GLY 9 N -1.35 1.60 0.00 -0.02 0.00 -1.26 -4.35 107.32 101.94 1jtt s GLY 9 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1jtt s GLY 9 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.66 1jtt n GLY 10 N -1.50 -0.23 3.67 0.20 0.00 -0.33 -5.01 105.19 101.98 1jtt n GLY 10 Ca 0.11 -1.48 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 1jtt n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jtt s SER 11 N -4.00 4.77 0.19 1.61 1.04 -1.26 -1.24 113.70 114.81 1jtt s SER 11 Ca 0.00 -0.43 -0.22 0.00 0.48 0.00 0.00 55.95 55.78 1jtt s SER 11 Cb 0.00 -1.01 0.06 0.00 0.10 0.00 0.00 66.02 65.17 1jtt s SER 11 CO 0.00 0.07 0.63 0.54 0.98 0.00 0.00 173.24 175.46 1jtt s VAL 12 N -1.83 0.00 0.31 5.02 0.11 0.01 -4.93 120.40 119.08 1jtt s VAL 12 Ca 0.28 -0.26 -0.12 0.00 -2.93 0.00 0.00 61.98 58.95 1jtt s VAL 12 Cb -0.09 -1.25 -0.08 0.00 -1.53 0.00 0.00 36.38 33.43 1jtt s VAL 12 CO 0.19 -0.00 0.68 -1.10 -3.33 0.00 0.00 175.10 171.53 1jtt s GLN 13 N -3.79 3.89 0.44 1.54 -1.52 -1.26 0.45 119.66 119.41 1jtt s GLN 13 Ca 0.04 0.49 -0.23 0.00 -1.95 0.00 0.00 55.36 53.70 1jtt s GLN 13 Cb -0.02 -2.50 -0.10 0.00 -0.22 0.00 0.00 33.01 30.17 1jtt s GLN 13 CO -0.08 0.18 0.93 0.00 -0.25 0.00 0.00 175.29 176.06 1jtt n ALA 14 N -0.46 -0.09 0.00 6.09 0.00 -0.80 -0.70 120.51 124.55 1jtt n ALA 14 Ca 0.02 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1jtt n ALA 14 Cb 0.53 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1jtt n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jtt n GLY 15 N 1.29 2.92 3.86 0.00 0.00 0.13 -4.93 105.19 108.47 1jtt n GLY 15 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1jtt n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtt n GLY 16 N -2.00 -1.19 3.32 -0.02 0.00 0.12 -4.07 105.19 101.35 1jtt n GLY 16 Ca 0.00 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.09 1jtt n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jtt s SER 17 N -5.75 2.36 0.04 1.61 0.01 -1.26 -1.10 113.70 109.62 1jtt s SER 17 Ca 0.74 -1.02 -0.08 0.00 1.31 0.00 0.00 55.95 56.91 1jtt s SER 17 Cb -0.02 -0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 1jtt s SER 17 CO 0.52 -0.21 0.16 -0.76 0.41 0.00 0.00 173.24 173.35 1jtt s LEU 18 N -3.27 1.54 -0.09 2.44 1.43 -0.50 -5.01 118.68 115.22 1jtt s LEU 18 Ca 0.21 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1jtt s LEU 18 Cb 0.00 0.84 0.02 0.00 0.03 0.00 0.00 46.19 47.07 1jtt s LEU 18 CO 0.05 -0.56 -0.12 -0.60 0.23 0.00 0.00 176.35 175.35 1jtt s ARG 19 N -2.76 1.78 0.06 1.70 3.52 -1.26 -0.32 118.95 121.68 1jtt s ARG 19 Ca -0.04 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.19 1jtt s ARG 19 Cb -0.00 -1.58 -0.04 0.00 -1.56 0.00 0.00 34.95 31.77 1jtt s ARG 19 CO -0.05 -0.08 0.06 -0.51 -0.81 0.00 0.00 175.30 173.90 1jtt s LEU 20 N 1.05 3.72 0.05 -0.88 1.02 0.54 -4.47 118.68 119.70 1jtt s LEU 20 Ca -0.07 -0.03 0.01 0.00 0.02 0.00 0.00 54.13 54.07 1jtt s LEU 20 Cb -0.15 -2.36 -0.03 0.00 0.02 0.00 0.00 46.19 43.68 1jtt s LEU 20 CO -0.01 0.19 -0.06 -0.94 0.02 0.00 0.00 176.35 175.56 1jtt s SER 21 N -2.22 0.70 -0.09 2.29 1.04 -0.54 -0.85 113.70 114.03 1jtt s SER 21 Ca 0.27 -0.70 -0.07 0.00 0.48 0.00 0.00 55.95 55.94 1jtt s SER 21 Cb -0.12 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.12 1jtt s SER 21 CO 0.19 -0.34 0.23 0.00 0.98 0.00 0.00 173.24 174.30 1jtt s ALA 23 N 0.64 2.24 -0.12 0.00 0.00 0.05 -0.46 121.76 124.11 1jtt s ALA 23 Ca -0.04 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 1jtt s ALA 23 Cb -0.06 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 1jtt s ALA 23 CO -0.04 0.26 0.20 0.00 0.00 0.00 0.00 175.76 176.18 1jtt s ALA 24 N 0.38 3.78 0.15 0.00 0.00 -0.58 -1.28 121.76 124.21 1jtt s ALA 24 Ca -0.17 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.31 1jtt s ALA 24 Cb -0.18 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1jtt s ALA 24 CO 0.08 0.45 -0.16 -1.54 0.00 0.00 0.00 175.76 174.59 1jtt s SER 25 N -0.59 2.31 0.00 0.00 1.04 0.30 -4.82 113.70 111.94 1jtt s SER 25 Ca 0.15 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1jtt s SER 25 Cb -0.13 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1jtt s SER 25 CO 0.05 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1jtt n GLY 26 N 0.34 0.57 3.93 7.32 0.00 -1.26 -1.51 105.19 114.57 1jtt n GLY 26 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1jtt n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jtt s TYR 27 N -2.30 3.49 -0.07 1.61 2.02 -1.26 -4.24 117.35 116.60 1jtt s TYR 27 Ca 0.00 0.17 0.09 0.00 -0.37 0.00 0.00 57.07 56.96 1jtt s TYR 27 Cb 0.00 -1.70 -0.13 0.00 -0.40 0.00 0.00 41.96 39.72 1jtt s TYR 27 CO 0.00 0.55 0.09 0.25 -1.57 0.00 0.00 175.55 174.87 1jtt n THR 28 N -0.21 0.49 0.00 -0.71 -2.24 -1.26 -4.88 114.28 105.47 1jtt n THR 28 Ca -0.06 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1jtt n THR 28 Cb 0.53 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1jtt n THR 28 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1jtt n ILE 29 N -2.23 0.00 -0.73 2.28 -5.35 -1.26 -5.10 119.36 106.97 1jtt n ILE 29 Ca -0.12 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1jtt n ILE 29 Cb 0.67 -0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 1jtt n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jtt n GLY 30 N 2.30 -0.69 3.90 3.28 0.00 -1.26 -4.92 105.19 107.80 1jtt n GLY 30 Ca 0.00 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 1jtt n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jtt s PRO 31 N -1.47 2.38 -0.05 1.61 0.04 -1.26 -4.87 135.00 131.39 1jtt s PRO 31 Ca 0.00 0.12 -0.16 0.00 0.04 0.00 0.00 61.00 61.00 1jtt s PRO 31 Cb 0.00 -2.06 -0.31 0.00 0.04 0.00 0.00 34.50 32.18 1jtt s PRO 31 CO 0.00 -1.25 0.72 -0.92 0.04 0.00 0.00 177.00 175.59 1jtt h TYR 32 N -0.74 0.64 -3.84 0.56 5.03 -1.00 -3.42 116.97 114.20 1jtt h TYR 32 Ca -0.45 -0.47 -0.53 0.00 2.58 0.00 0.00 58.73 59.86 1jtt h TYR 32 Cb 1.30 -0.03 -0.21 0.00 1.55 0.00 0.00 36.73 39.34 1jtt h TYR 32 CO 0.39 1.55 -0.81 0.00 -1.32 0.00 0.00 178.16 177.97 1jtt s MET 34 N -2.02 0.41 0.36 0.00 -1.94 -1.04 -1.28 119.30 113.78 1jtt s MET 34 Ca 0.07 -0.50 -0.16 0.00 -1.71 0.00 0.00 55.69 53.39 1jtt s MET 34 Cb -0.09 -0.23 0.04 0.00 2.01 0.00 0.00 34.83 36.56 1jtt s MET 34 CO 0.04 0.05 0.75 0.20 -0.01 0.00 0.00 175.02 176.05 1jtt s GLY 35 N -0.99 0.33 -0.04 -0.03 0.00 0.78 -1.65 107.32 105.73 1jtt s GLY 35 Ca -0.07 -0.69 0.06 0.00 0.00 0.00 0.00 44.72 44.02 1jtt s GLY 35 CO -0.00 -0.30 -0.21 -0.98 0.00 0.00 0.00 173.10 171.60 1jtt s TRP 36 N -2.75 2.00 0.29 1.90 0.52 0.18 -0.23 118.94 120.85 1jtt s TRP 36 Ca 0.15 -0.50 0.04 0.00 0.02 0.00 0.00 56.10 55.81 1jtt s TRP 36 Cb -0.05 -1.31 -0.06 0.00 -1.15 0.00 0.00 33.47 30.90 1jtt s TRP 36 CO 0.11 -0.12 0.03 -0.06 0.02 0.00 0.00 176.95 176.92 1jtt s PHE 37 N -0.25 1.85 0.12 -1.98 0.40 -0.35 -0.81 117.98 116.97 1jtt s PHE 37 Ca 0.01 -0.91 -0.13 0.00 -0.60 0.00 0.00 56.93 55.30 1jtt s PHE 37 Cb -0.11 -1.15 0.02 0.00 0.51 0.00 0.00 43.02 42.29 1jtt s PHE 37 CO 0.01 0.03 0.32 -0.98 0.70 0.00 0.00 175.22 175.30 1jtt s ARG 38 N -3.86 1.03 -0.18 0.44 1.70 -0.21 -0.54 118.95 117.33 1jtt s ARG 38 Ca 0.33 -0.88 -0.04 0.00 -0.47 0.00 0.00 55.73 54.67 1jtt s ARG 38 Cb 0.07 0.42 0.08 0.00 -0.57 0.00 0.00 34.95 34.94 1jtt s ARG 38 CO 0.13 -0.38 0.17 -1.14 -1.08 0.00 0.00 175.30 173.00 1jtt s GLN 39 N -3.85 0.12 0.78 3.89 0.74 0.20 -0.64 119.66 120.89 1jtt s GLN 39 Ca 0.06 0.13 -0.12 0.00 0.05 0.00 0.00 55.36 55.49 1jtt s GLN 39 Cb 0.03 -1.34 0.06 0.00 1.10 0.00 0.00 33.01 32.85 1jtt s GLN 39 CO -0.09 -0.62 1.11 0.00 -0.55 0.00 0.00 175.29 175.14 1jtt s ALA 40 N 2.25 2.49 0.02 1.58 0.00 -1.26 -1.70 121.76 125.15 1jtt s ALA 40 Ca 0.05 -0.34 -0.35 0.00 0.00 0.00 0.00 51.96 51.32 1jtt s ALA 40 Cb -0.15 -3.05 -0.13 0.00 0.00 0.00 0.00 23.12 19.78 1jtt s ALA 40 CO -0.10 -1.55 1.69 -2.30 0.00 0.00 0.00 175.76 173.50 1jtt n PRO 41 N -3.29 2.00 -0.86 0.00 -0.02 -1.26 -1.84 135.00 129.73 1jtt n PRO 41 Ca 0.07 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1jtt n PRO 41 Cb 0.57 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1jtt n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jtt n GLY 42 N 3.79 0.43 3.96 -1.23 0.00 -1.26 -4.99 105.19 105.88 1jtt n GLY 42 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 1jtt n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jtt s LYS 43 N -0.65 2.65 0.48 1.61 -0.14 -0.76 -5.11 119.74 117.81 1jtt s LYS 43 Ca 0.00 -1.42 -0.19 0.00 -1.36 0.00 0.00 55.97 53.00 1jtt s LYS 43 Cb 0.00 -2.58 -0.09 0.00 -1.68 0.00 0.00 37.83 33.49 1jtt s LYS 43 CO 0.00 -0.31 0.99 -1.21 -0.76 0.00 0.00 175.35 174.06 1jtt s GLU 44 N -4.29 3.98 0.38 1.68 0.41 -1.26 -4.71 118.70 114.88 1jtt s GLU 44 Ca 0.52 1.12 -0.26 0.00 -0.41 0.00 0.00 54.97 55.94 1jtt s GLU 44 Cb -0.07 -2.14 -0.09 0.00 -1.78 0.00 0.00 34.13 30.06 1jtt s GLU 44 CO 0.31 -0.25 1.20 0.50 -0.49 0.00 0.00 175.26 176.53 1jtt s ARG 45 N -3.55 4.15 0.19 1.61 3.52 -1.26 -4.61 118.95 118.99 1jtt s ARG 45 Ca 0.62 1.93 0.03 0.00 -0.13 0.00 0.00 55.73 58.18 1jtt s ARG 45 Cb -0.11 -2.80 -0.05 0.00 -1.56 0.00 0.00 34.95 30.43 1jtt s ARG 45 CO 0.22 -0.26 -0.02 -1.83 -0.81 0.00 0.00 175.30 172.60 1jtt s GLU 46 N -2.12 1.19 0.40 5.12 -1.05 0.18 -4.95 118.70 117.47 1jtt s GLU 46 Ca 0.54 -1.57 -0.17 0.00 -0.15 0.00 0.00 54.97 53.62 1jtt s GLU 46 Cb -0.33 -0.49 -0.09 0.00 -0.44 0.00 0.00 34.13 32.78 1jtt s GLU 46 CO 0.42 -0.07 0.86 0.20 0.95 0.00 0.00 175.26 177.62 1jtt s GLY 47 N -3.22 2.28 0.03 -3.83 0.00 -1.09 -1.05 107.32 100.44 1jtt s GLY 47 Ca 0.24 0.18 -0.01 0.00 0.00 0.00 0.00 44.72 45.13 1jtt s GLY 47 CO 0.05 0.43 -0.02 -0.62 0.00 0.00 0.00 173.10 172.94 1jtt n VAL 48 N -0.75 0.64 -3.53 1.40 0.31 0.01 -4.66 118.33 111.76 1jtt n VAL 48 Ca 0.05 0.18 -0.15 0.00 -0.01 0.00 0.00 64.34 64.40 1jtt n VAL 48 Cb 0.54 -1.58 -0.05 0.00 -0.91 0.00 0.00 33.84 31.84 1jtt n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jtt s ALA 49 N -2.04 -1.80 0.14 3.52 0.00 -0.89 -1.29 121.76 119.39 1jtt s ALA 49 Ca -0.02 1.32 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 1jtt s ALA 49 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1jtt s ALA 49 CO 0.03 -0.39 0.23 0.00 0.00 0.00 0.00 175.76 175.62 1jtt s ALA 50 N -1.41 0.11 -0.20 0.00 0.00 -0.33 0.47 121.76 120.41 1jtt s ALA 50 Ca -0.07 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.77 1jtt s ALA 50 Cb -0.00 0.79 0.05 0.00 0.00 0.00 0.00 23.12 23.96 1jtt s ALA 50 CO 0.06 -0.59 0.52 -1.50 0.00 0.00 0.00 175.76 174.24 1jtt s ILE 51 N -3.96 -0.00 -0.06 0.00 2.07 -0.66 -0.92 121.20 117.67 1jtt s ILE 51 Ca 0.16 0.01 -0.30 0.00 -1.41 0.00 0.00 60.65 59.11 1jtt s ILE 51 Cb 0.04 -0.73 -0.02 0.00 0.13 0.00 0.00 42.46 41.88 1jtt s ILE 51 CO -0.02 0.00 1.06 0.20 -1.91 0.00 0.00 174.94 174.28 1jtt s ASN 52 N 0.39 7.21 0.46 4.50 -0.87 -0.61 -2.51 114.94 123.51 1jtt s ASN 52 Ca -0.01 1.66 -0.22 0.00 -1.57 0.00 0.00 52.86 52.72 1jtt s ASN 52 Cb -0.04 -2.56 -0.08 0.00 -0.02 0.00 0.00 41.25 38.55 1jtt s ASN 52 CO -0.01 -0.44 1.10 -0.04 -2.57 0.00 0.00 177.10 175.14 1jtt s MET 53 N 1.79 3.82 0.00 -0.60 -1.94 -0.06 -0.85 119.30 121.46 1jtt s MET 53 Ca 0.52 1.59 0.00 0.00 -1.71 0.00 0.00 55.69 56.08 1jtt s MET 53 Cb -0.21 -2.31 0.00 0.00 2.01 0.00 0.00 34.83 34.32 1jtt s MET 53 CO 0.22 -0.46 0.00 0.41 -0.01 0.00 0.00 175.02 175.18 1jtt n GLY 54 N 0.22 2.13 0.28 -0.03 0.00 -1.26 -4.47 105.19 102.06 1jtt n GLY 54 Ca 0.08 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 1jtt n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jtt h GLY 55 N 0.00 0.92 0.00 -0.02 0.00 -1.98 -3.48 103.07 98.51 1jtt h GLY 55 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1jtt h GLY 55 CO 0.00 0.66 0.00 0.61 0.00 0.00 0.00 176.54 177.81 1jtt n GLY 56 N -0.37 0.64 3.74 4.60 0.00 -0.03 -5.02 105.19 108.75 1jtt n GLY 56 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1jtt n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jtt s ILE 57 N -2.08 2.66 0.19 -0.61 -1.09 -1.26 -4.72 121.20 114.30 1jtt s ILE 57 Ca 0.00 0.55 0.06 0.00 -2.23 0.00 0.00 60.65 59.04 1jtt s ILE 57 Cb 0.00 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.49 1jtt s ILE 57 CO 0.00 0.09 0.11 0.42 -1.23 0.00 0.00 174.94 174.33 1jtt s THR 58 N 0.02 4.26 -0.00 2.92 -4.23 -1.26 -1.58 115.64 115.77 1jtt s THR 58 Ca 0.59 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1jtt s THR 58 Cb -0.42 -3.21 0.01 0.00 1.34 0.00 0.00 72.50 70.22 1jtt s THR 58 CO 0.43 -0.18 0.00 -0.31 -0.54 0.00 0.00 174.62 174.02 1jtt s TYR 59 N -1.87 0.02 0.04 3.99 1.51 -0.10 -4.97 117.35 115.97 1jtt s TYR 59 Ca 0.31 0.02 0.04 0.00 -1.01 0.00 0.00 57.07 56.43 1jtt s TYR 59 Cb -0.09 -0.06 -0.02 0.00 -0.11 0.00 0.00 41.96 41.68 1jtt s TYR 59 CO 0.23 -0.02 -0.12 0.71 -1.11 0.00 0.00 175.55 175.24 1jtt s TYR 60 N 0.19 1.04 0.46 2.71 2.02 -1.26 -1.18 117.35 121.32 1jtt s TYR 60 Ca -0.02 -0.36 -0.22 0.00 -0.37 0.00 0.00 57.07 56.11 1jtt s TYR 60 Cb -0.02 -0.61 -0.08 0.00 -0.40 0.00 0.00 41.96 40.84 1jtt s TYR 60 CO -0.01 0.01 1.05 0.00 -1.57 0.00 0.00 175.55 175.04 1jtt s ALA 61 N -0.91 2.94 0.54 3.71 0.00 -0.42 -4.92 121.76 122.71 1jtt s ALA 61 Ca -0.01 0.67 0.24 0.00 0.00 0.00 0.00 51.96 52.86 1jtt s ALA 61 Cb -0.08 -3.27 1.43 0.00 0.00 0.00 0.00 23.12 21.20 1jtt s ALA 61 CO 0.01 -0.31 2.05 -0.44 0.00 0.00 0.00 175.76 177.07 1jtt h ASP 62 N 1.90 0.00 0.63 0.00 3.45 -1.94 -2.10 116.42 118.36 1jtt h ASP 62 Ca -0.49 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.97 1jtt h ASP 62 Cb 1.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 1jtt h ASP 62 CO 0.60 0.00 0.00 0.77 -1.57 0.00 0.00 179.24 179.04 1jtt h SER 63 N 0.00 0.00 0.00 6.45 4.64 -1.95 -3.23 113.55 119.46 1jtt h SER 63 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1jtt h SER 63 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1jtt h SER 63 CO -0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 1jtt n VAL 64 N -3.02 0.04 -1.66 0.95 0.24 -0.81 -5.01 118.33 109.07 1jtt n VAL 64 Ca -0.01 -0.49 -0.47 0.00 -2.04 0.00 0.00 64.34 61.34 1jtt n VAL 64 Cb 0.21 1.04 -0.04 0.00 -1.47 0.00 0.00 33.84 33.58 1jtt n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1jtt n LYS 65 N -0.02 2.01 0.00 7.34 5.02 -1.12 -1.26 118.16 130.12 1jtt n LYS 65 Ca 0.00 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1jtt n LYS 65 Cb 0.03 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 32.58 1jtt n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jtt n GLY 66 N 3.16 2.23 0.05 0.72 0.00 -1.26 -4.80 105.19 105.29 1jtt n GLY 66 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1jtt n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jtt n ARG 67 N -2.00 1.32 -4.24 1.61 1.74 -0.39 -5.02 116.66 109.67 1jtt n ARG 67 Ca 0.00 0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.79 1jtt n ARG 67 Cb 0.00 -1.21 -0.08 0.00 -1.02 0.00 0.00 32.46 30.14 1jtt n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jtt s PHE 68 N -2.21 3.11 -0.08 -1.55 0.40 -0.81 -1.34 117.98 115.50 1jtt s PHE 68 Ca -0.10 0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1jtt s PHE 68 Cb 0.03 -1.68 0.02 0.00 0.51 0.00 0.00 43.02 41.91 1jtt s PHE 68 CO 0.29 0.48 -0.06 0.99 0.70 0.00 0.00 175.22 177.62 1jtt s THR 69 N -1.11 0.77 -0.07 0.64 2.01 0.04 -4.87 115.64 113.05 1jtt s THR 69 Ca 0.20 -0.19 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 1jtt s THR 69 Cb -0.12 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1jtt s THR 69 CO 0.11 0.30 0.13 -0.51 -0.69 0.00 0.00 174.62 173.97 1jtt s ILE 70 N 1.36 5.28 0.17 1.82 2.07 -1.26 -0.43 121.20 130.21 1jtt s ILE 70 Ca -0.03 -0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.15 1jtt s ILE 70 Cb -0.14 -3.35 -0.02 0.00 0.13 0.00 0.00 42.46 39.08 1jtt s ILE 70 CO -0.03 0.51 0.21 -0.94 -1.91 0.00 0.00 174.94 172.78 1jtt s SER 71 N -1.33 0.13 0.16 4.50 1.04 -0.40 -4.99 113.70 112.81 1jtt s SER 71 Ca 0.19 -1.06 -0.00 0.00 0.48 0.00 0.00 55.95 55.56 1jtt s SER 71 Cb -0.12 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1jtt s SER 71 CO 0.09 -0.86 0.06 0.00 0.98 0.00 0.00 173.24 173.51 1jtt s GLN 72 N -4.03 1.05 -0.35 4.02 -2.07 -1.26 -0.59 119.66 116.44 1jtt s GLN 72 Ca 0.23 -1.52 -0.01 0.00 -1.82 0.00 0.00 55.36 52.24 1jtt s GLN 72 Cb 0.05 0.09 0.13 0.00 -1.09 0.00 0.00 33.01 32.19 1jtt s GLN 72 CO 0.03 -0.26 0.19 0.34 -1.32 0.00 0.00 175.29 174.28 1jtt s ASP 73 N -3.12 3.18 0.17 12.60 -1.08 -0.50 -4.99 116.67 122.93 1jtt s ASP 73 Ca 0.28 -2.03 -0.17 0.00 -0.52 0.00 0.00 52.55 50.11 1jtt s ASP 73 Cb 0.07 -0.46 0.10 0.00 -1.46 0.00 0.00 42.92 41.17 1jtt s ASP 73 CO 0.05 -0.33 1.68 -1.13 0.52 0.00 0.00 175.17 175.96 1jtt h ASN 74 N 7.30 -0.28 0.05 -0.34 -1.24 -1.95 -1.43 115.58 117.68 1jtt h ASN 74 Ca -0.00 0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 1jtt h ASN 74 Cb 0.98 0.21 -0.00 0.00 0.73 0.00 0.00 38.32 40.23 1jtt h ASN 74 CO 0.32 -0.10 -0.06 0.00 -1.29 0.00 0.00 177.43 176.31 1jtt h ALA 75 N 1.37 1.89 -0.38 1.57 0.00 -1.96 -2.25 119.26 119.50 1jtt h ALA 75 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jtt h ALA 75 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jtt h ALA 75 CO -0.37 0.08 0.00 1.63 0.00 0.00 0.00 179.25 180.59 1jtt n LYS 76 N -4.46 2.45 -3.91 0.00 4.76 -0.95 -4.98 118.16 111.06 1jtt n LYS 76 Ca -0.03 -2.24 -0.25 0.00 -2.87 0.00 0.00 58.31 52.92 1jtt n LYS 76 Cb 0.14 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 1jtt n LYS 76 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jtt n ASN 77 N 1.41 -0.49 -4.17 4.39 3.02 -0.58 -4.72 115.26 114.12 1jtt n ASN 77 Ca 0.18 -0.98 -0.20 0.00 -0.03 0.00 0.00 54.58 53.56 1jtt n ASN 77 Cb 0.58 -3.21 -0.13 0.00 -0.61 0.00 0.00 39.78 36.41 1jtt n ASN 77 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1jtt s THR 78 N -3.91 1.18 0.10 3.41 -4.23 -1.02 -1.52 115.64 109.65 1jtt s THR 78 Ca 0.01 -1.13 0.06 0.00 -1.18 0.00 0.00 61.69 59.44 1jtt s THR 78 Cb -0.00 -1.08 -0.03 0.00 1.34 0.00 0.00 72.50 72.72 1jtt s THR 78 CO 0.88 -0.06 -0.15 0.54 -0.54 0.00 0.00 174.62 175.29 1jtt s VAL 79 N -0.99 1.29 0.05 2.29 0.11 0.39 -1.40 120.40 122.13 1jtt s VAL 79 Ca 0.01 -1.54 0.04 0.00 -2.93 0.00 0.00 61.98 57.56 1jtt s VAL 79 Cb -0.09 -1.36 -0.02 0.00 -1.53 0.00 0.00 36.38 33.38 1jtt s VAL 79 CO 0.02 -0.31 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.05 1jtt s TYR 80 N -1.70 1.08 -0.24 1.54 2.02 0.24 -0.40 117.35 119.88 1jtt s TYR 80 Ca 0.04 -0.40 -0.00 0.00 -0.37 0.00 0.00 57.07 56.35 1jtt s TYR 80 Cb -0.07 -0.63 0.07 0.00 -0.40 0.00 0.00 41.96 40.92 1jtt s TYR 80 CO 0.03 0.02 0.00 -1.17 -1.57 0.00 0.00 175.55 172.86 1jtt s LEU 81 N -1.34 2.22 -0.25 -1.29 2.96 -0.03 -1.28 118.68 119.67 1jtt s LEU 81 Ca -0.02 -1.19 -0.22 0.00 -0.22 0.00 0.00 54.13 52.49 1jtt s LEU 81 Cb -0.09 -0.98 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 1jtt s LEU 81 CO 0.01 -0.29 0.69 -0.22 -1.32 0.00 0.00 176.35 175.23 1jtt s LEU 82 N 1.54 4.07 -0.32 -0.68 2.96 0.43 -0.34 118.68 126.33 1jtt s LEU 82 Ca -0.01 0.80 -0.03 0.00 -0.22 0.00 0.00 54.13 54.67 1jtt s LEU 82 Cb -0.18 -2.96 0.05 0.00 0.50 0.00 0.00 46.19 43.60 1jtt s LEU 82 CO -0.10 -0.42 0.05 -0.04 -1.32 0.00 0.00 176.35 174.52 1jtt s MET 83 N 2.62 2.43 0.29 1.98 -1.94 0.57 -0.78 119.30 124.47 1jtt s MET 83 Ca 0.29 -1.31 0.07 0.00 -1.71 0.00 0.00 55.69 53.04 1jtt s MET 83 Cb -0.15 -3.29 -0.03 0.00 2.01 0.00 0.00 34.83 33.36 1jtt s MET 83 CO 0.08 -0.68 0.22 -0.80 -0.01 0.00 0.00 175.02 173.83 1jtt s ASN 84 N 1.35 5.32 -1.34 3.03 0.01 -0.45 -1.41 114.94 121.45 1jtt s ASN 84 Ca -0.03 -0.40 -0.03 0.00 -0.71 0.00 0.00 52.86 51.69 1jtt s ASN 84 Cb -0.20 -1.16 -0.00 0.00 0.41 0.00 0.00 41.25 40.29 1jtt s ASN 84 CO -0.00 -0.17 0.53 -1.20 -1.51 0.00 0.00 177.10 174.75 1jtt n SER 85 N -1.23 -1.22 -4.77 -1.22 7.64 -1.15 -4.64 113.62 107.02 1jtt n SER 85 Ca -0.05 -0.97 -0.35 0.00 1.01 0.00 0.00 58.87 58.51 1jtt n SER 85 Cb 0.59 -3.32 0.01 0.00 -1.01 0.00 0.00 64.21 60.48 1jtt n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1jtt s LEU 86 N -6.83 3.71 0.14 -3.43 1.43 -0.26 -4.66 118.68 108.78 1jtt s LEU 86 Ca 0.07 2.21 0.04 0.00 -1.03 0.00 0.00 54.13 55.42 1jtt s LEU 86 Cb -0.03 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.57 1jtt s LEU 86 CO 0.87 -1.33 -0.10 -1.61 0.23 0.00 0.00 176.35 174.42 1jtt s GLU 87 N -3.35 1.05 0.38 1.70 0.41 -1.26 0.22 118.70 117.85 1jtt s GLU 87 Ca 0.73 -1.45 0.15 0.00 -0.41 0.00 0.00 54.97 54.00 1jtt s GLU 87 Cb -0.25 -0.59 1.01 0.00 -1.78 0.00 0.00 34.13 32.52 1jtt s GLU 87 CO 0.29 0.06 1.79 -1.35 -0.49 0.00 0.00 175.26 175.57 1jtt h PRO 88 N 2.79 0.48 0.00 0.39 0.11 -1.80 0.22 132.00 134.19 1jtt h PRO 88 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1jtt h PRO 88 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1jtt h PRO 88 CO 0.64 0.32 0.00 0.93 -0.21 0.00 0.00 178.00 179.67 1jtt h GLU 89 N 0.49 0.00 -0.01 1.05 3.07 -1.96 -2.07 114.58 115.15 1jtt h GLU 89 Ca 0.56 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 1jtt h GLU 89 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1jtt h GLU 89 CO -0.30 0.00 -0.06 -0.25 -1.40 0.00 0.00 179.01 177.01 1jtt n ASP 90 N -2.46 1.26 -4.72 1.42 8.00 0.77 -4.90 116.55 115.92 1jtt n ASP 90 Ca -0.01 -1.30 -0.42 0.00 0.71 0.00 0.00 54.79 53.77 1jtt n ASP 90 Cb 0.08 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 1jtt n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jtt s THR 91 N -2.13 2.58 0.00 -3.53 2.01 -0.78 -4.87 115.64 108.92 1jtt s THR 91 Ca 0.35 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.78 1jtt s THR 91 Cb 0.21 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1jtt s THR 91 CO 0.38 0.04 0.00 0.00 -0.69 0.00 0.00 174.62 174.35 1jtt n ALA 92 N 3.56 0.00 -2.68 7.40 0.00 -0.22 -4.52 120.51 124.05 1jtt n ALA 92 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.17 1jtt n ALA 92 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 1jtt n ALA 92 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jtt s ILE 93 N -2.00 5.09 -0.14 0.00 -1.09 -0.69 -1.08 121.20 121.28 1jtt s ILE 93 Ca 0.00 1.10 -0.07 0.00 -2.23 0.00 0.00 60.65 59.45 1jtt s ILE 93 Cb 0.00 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 1jtt s ILE 93 CO 0.00 0.20 0.11 -0.31 -1.23 0.00 0.00 174.94 173.71 1jtt s TYR 94 N 1.39 3.47 -0.09 3.97 1.51 0.17 -0.63 117.35 127.13 1jtt s TYR 94 Ca 0.28 0.39 0.04 0.00 -1.01 0.00 0.00 57.07 56.78 1jtt s TYR 94 Cb -0.16 -1.99 -0.00 0.00 -0.11 0.00 0.00 41.96 39.70 1jtt s TYR 94 CO 0.11 0.54 -0.24 0.71 -1.11 0.00 0.00 175.55 175.56 1jtt s TYR 95 N -0.53 2.53 0.22 2.71 2.02 0.30 0.06 117.35 124.66 1jtt s TYR 95 Ca 0.12 -0.98 -0.30 0.00 -0.37 0.00 0.00 57.07 55.54 1jtt s TYR 95 Cb -0.12 -1.68 -0.09 0.00 -0.40 0.00 0.00 41.96 39.67 1jtt s TYR 95 CO 0.02 -0.38 0.93 0.00 -1.57 0.00 0.00 175.55 174.55 1jtt s ALA 97 N -1.05 0.23 0.01 0.00 0.00 0.68 -0.54 121.76 121.10 1jtt s ALA 97 Ca 0.41 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 1jtt s ALA 97 Cb -0.25 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 1jtt s ALA 97 CO 0.31 -0.30 0.06 0.00 0.00 0.00 0.00 175.76 175.83 1jtt s ALA 98 N -2.90 -0.11 -0.23 0.00 0.00 -0.53 -0.15 121.76 117.83 1jtt s ALA 98 Ca -0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.58 1jtt s ALA 98 Cb 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1jtt s ALA 98 CO -0.06 -0.17 -0.00 0.34 0.00 0.00 0.00 175.76 175.86 1jtt s ASP 99 N -1.30 4.58 0.00 0.00 -1.08 -0.40 -1.87 116.67 116.59 1jtt s ASP 99 Ca -0.14 -0.38 0.26 0.00 -0.52 0.00 0.00 52.55 51.77 1jtt s ASP 99 Cb -0.08 -1.80 0.64 0.00 -1.46 0.00 0.00 42.92 40.23 1jtt s ASP 99 CO 0.00 -0.04 1.50 -1.20 0.52 0.00 0.00 175.17 175.95 1jtt n SER 100 N 4.83 0.62 -4.71 -0.34 7.64 -1.26 -0.51 113.62 119.89 1jtt n SER 100 Ca -0.17 -0.41 -0.42 0.00 1.01 0.00 0.00 58.87 58.88 1jtt n SER 100 Cb 0.51 0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.85 1jtt n SER 100 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jtt s THR 101 N -2.84 3.61 -0.71 0.44 2.01 -1.26 -4.68 115.64 112.22 1jtt s THR 101 Ca 0.16 1.15 -0.18 0.00 0.31 0.00 0.00 61.69 63.13 1jtt s THR 101 Cb 0.18 -3.74 0.13 0.00 0.01 0.00 0.00 72.50 69.09 1jtt s THR 101 CO 0.63 0.08 0.81 -0.63 -0.69 0.00 0.00 174.62 174.82 1jtt s ILE 102 N 1.18 4.96 0.63 1.82 -1.09 -1.26 -4.36 121.20 123.08 1jtt s ILE 102 Ca 0.62 -1.41 -0.19 0.00 -2.23 0.00 0.00 60.65 57.45 1jtt s ILE 102 Cb -0.34 -4.55 -0.02 0.00 -1.58 0.00 0.00 42.46 35.98 1jtt s ILE 102 CO 0.29 -1.19 1.30 -0.31 -1.23 0.00 0.00 174.94 173.80 1jtt s TYR 103 N 2.19 2.13 -0.10 3.97 2.02 -1.26 -4.96 117.35 121.34 1jtt s TYR 103 Ca 0.17 1.47 -0.20 0.00 -0.37 0.00 0.00 57.07 58.14 1jtt s TYR 103 Cb -0.17 -3.69 -0.17 0.00 -0.40 0.00 0.00 41.96 37.52 1jtt s TYR 103 CO -0.00 -2.86 0.65 0.00 -1.57 0.00 0.00 175.55 171.76 1jtt h ALA 104 N 0.71 -0.06 -1.47 3.71 0.00 -2.04 -3.46 119.26 116.66 1jtt h ALA 104 Ca -0.51 -0.30 -0.43 0.00 0.00 0.00 0.00 54.91 53.68 1jtt h ALA 104 Cb 1.33 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.17 1jtt h ALA 104 CO 0.54 -0.10 -0.22 -1.54 0.00 0.00 0.00 179.25 177.94 1jtt s SER 105 N -5.83 5.57 0.31 0.00 1.04 -1.26 -5.03 113.70 108.49 1jtt s SER 105 Ca -0.13 -0.38 -0.30 0.00 0.48 0.00 0.00 55.95 55.62 1jtt s SER 105 Cb -0.01 -0.64 -0.12 0.00 0.10 0.00 0.00 66.02 65.35 1jtt s SER 105 CO 0.47 -0.85 1.51 0.00 0.98 0.00 0.00 173.24 175.35 1jtt n TYR 106 N -1.95 2.72 -4.60 5.02 9.36 -1.26 -5.01 117.16 121.44 1jtt n TYR 106 Ca 0.08 0.35 -0.25 0.00 3.32 0.00 0.00 57.90 61.41 1jtt n TYR 106 Cb 0.59 -2.54 -0.17 0.00 -0.63 0.00 0.00 39.34 36.59 1jtt n TYR 106 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1jtt s TYR 107 N -0.37 1.54 -0.33 2.98 5.04 -1.26 -5.11 117.35 119.83 1jtt s TYR 107 Ca 0.61 -0.58 -0.23 0.00 -2.44 0.00 0.00 57.07 54.43 1jtt s TYR 107 Cb -0.52 -1.12 0.00 0.00 0.35 0.00 0.00 41.96 40.67 1jtt s TYR 107 CO 0.53 -0.30 0.76 -1.21 -1.34 0.00 0.00 175.55 174.00 1jtt s GLU 108 N 0.68 3.85 0.31 4.97 2.02 -1.26 -4.91 118.70 124.36 1jtt s GLU 108 Ca -0.14 0.41 0.23 0.00 0.02 0.00 0.00 54.97 55.49 1jtt s GLU 108 Cb -0.16 -3.77 1.13 0.00 0.10 0.00 0.00 34.13 31.43 1jtt s GLU 108 CO 0.04 -0.74 1.69 0.00 0.02 0.00 0.00 175.26 176.27 1jtt h GLY 110 N 0.80 0.00 0.18 0.00 0.00 -1.91 -3.29 103.07 98.86 1jtt h GLY 110 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 1jtt h GLY 110 CO 0.00 0.00 0.24 0.84 0.00 0.00 0.00 176.54 177.62 1jtt h HIS 111 N 0.00 0.40 0.00 5.60 2.76 -1.70 -1.70 115.15 120.51 1jtt h HIS 111 Ca 0.00 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 1jtt h HIS 111 Cb 0.51 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1jtt h HIS 111 CO 0.00 0.04 -0.19 0.78 -1.30 0.00 0.00 177.93 177.25 1jtt h GLY 112 N 0.38 0.00 0.50 5.26 0.00 -1.73 -3.23 103.07 104.25 1jtt h GLY 112 Ca 0.37 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.87 1jtt h GLY 112 CO -0.39 0.00 0.56 1.41 0.00 0.00 0.00 176.54 178.12 1jtt h LEU 113 N 0.00 0.52 -1.02 3.11 3.38 -1.50 0.39 115.31 120.19 1jtt h LEU 113 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jtt h LEU 113 Cb 0.59 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jtt h LEU 113 CO 0.03 0.25 -0.11 -1.54 0.09 0.00 0.00 178.44 177.15 1jtt n SER 114 N -4.53 1.47 -2.56 -0.43 3.41 -1.23 -2.66 113.62 107.09 1jtt n SER 114 Ca 0.17 -1.23 -0.33 0.00 -0.26 0.00 0.00 58.87 57.21 1jtt n SER 114 Cb 0.55 0.27 0.04 0.00 -0.26 0.00 0.00 64.21 64.80 1jtt n SER 114 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jtt n THR 115 N 0.09 3.15 -3.94 6.66 -2.24 -1.10 -4.89 114.28 112.01 1jtt n THR 115 Ca 0.05 -4.16 -0.31 0.00 -2.27 0.00 0.00 64.05 57.36 1jtt n THR 115 Cb 0.22 -1.22 0.02 0.00 -2.10 0.00 0.00 70.33 67.25 1jtt n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jtt n GLY 116 N -0.63 -0.49 2.29 3.38 0.00 -1.25 -1.89 105.19 106.60 1jtt n GLY 116 Ca 0.51 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.66 1jtt n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtt n GLY 117 N -1.62 0.70 3.63 -0.02 0.00 0.11 -4.96 105.19 103.03 1jtt n GLY 117 Ca 0.05 -0.40 -0.52 0.00 0.00 0.00 0.00 46.02 45.15 1jtt n GLY 117 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jtt n TYR 118 N -2.71 1.78 0.00 1.61 9.36 -0.79 -0.91 117.16 125.49 1jtt n TYR 118 Ca -0.05 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.69 1jtt n TYR 118 Cb 0.23 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.53 1jtt n TYR 118 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1jtt n GLY 119 N 3.04 3.06 3.52 2.98 0.00 -1.26 -4.24 105.19 112.29 1jtt n GLY 119 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1jtt n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jtt s TYR 120 N -2.31 2.43 -0.74 1.61 1.51 -0.09 -4.47 117.35 115.29 1jtt s TYR 120 Ca 0.00 -0.27 0.25 0.00 -1.01 0.00 0.00 57.07 56.04 1jtt s TYR 120 Cb 0.00 -4.53 0.47 0.00 -0.11 0.00 0.00 41.96 37.79 1jtt s TYR 120 CO 0.00 -1.93 1.41 -0.40 -1.11 0.00 0.00 175.55 173.52 1jtt n ASP 121 N 8.80 0.63 -4.24 2.29 5.68 -0.90 -4.88 116.55 123.93 1jtt n ASP 121 Ca 0.03 0.11 -0.27 0.00 -0.50 0.00 0.00 54.79 54.16 1jtt n ASP 121 Cb 0.48 0.06 -0.15 0.00 -1.14 0.00 0.00 41.12 40.37 1jtt n ASP 121 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1jtt s SER 122 N -3.95 2.53 0.02 -1.12 0.01 -0.78 -5.01 113.70 105.40 1jtt s SER 122 Ca 0.08 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.92 1jtt s SER 122 Cb 0.14 -0.26 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 1jtt s SER 122 CO 0.70 0.23 -0.05 0.26 0.41 0.00 0.00 173.24 174.79 1jtt s TRP 123 N -0.61 0.44 0.91 2.43 0.52 -1.26 -1.45 118.94 119.91 1jtt s TRP 123 Ca 0.08 -0.27 -0.14 0.00 0.02 0.00 0.00 56.10 55.79 1jtt s TRP 123 Cb -0.08 -0.27 0.15 0.00 -1.15 0.00 0.00 33.47 32.11 1jtt s TRP 123 CO 0.00 -0.06 1.22 0.20 0.02 0.00 0.00 176.95 178.34 1jtt s GLY 124 N -0.77 1.66 0.43 0.98 0.00 0.30 -4.57 107.32 105.34 1jtt s GLY 124 Ca -0.05 -0.86 0.24 0.00 0.00 0.00 0.00 44.72 44.05 1jtt s GLY 124 CO -0.00 -0.23 1.73 -1.61 0.00 0.00 0.00 173.10 172.99 1jtt h GLN 125 N -1.44 0.00 0.00 2.90 -0.00 -1.90 -3.45 115.11 111.23 1jtt h GLN 125 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 1jtt h GLN 125 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.77 1jtt h GLN 125 CO 0.53 0.19 0.00 0.41 0.00 0.00 0.00 178.83 179.96 1jtt n GLY 126 N 0.57 2.98 3.06 2.39 0.00 -1.26 -5.05 105.19 107.88 1jtt n GLY 126 Ca 0.01 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 1jtt n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jtt s THR 127 N -0.59 1.55 0.13 2.61 2.01 0.11 -4.90 115.64 116.57 1jtt s THR 127 Ca 0.00 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 1jtt s THR 127 Cb 0.00 -1.41 -0.07 0.00 0.01 0.00 0.00 72.50 71.03 1jtt s THR 127 CO 0.00 0.45 1.14 -1.58 -0.69 0.00 0.00 174.62 173.94 1jtt s GLN 128 N 1.00 4.53 -0.08 4.92 2.00 -1.26 0.42 119.66 131.18 1jtt s GLN 128 Ca -0.06 1.74 0.02 0.00 -2.00 0.00 0.00 55.36 55.06 1jtt s GLN 128 Cb -0.15 -3.30 0.01 0.00 0.80 0.00 0.00 33.01 30.37 1jtt s GLN 128 CO -0.02 -0.06 -0.13 0.08 -0.50 0.00 0.00 175.29 174.66 1jtt s VAL 129 N 0.25 1.24 -0.09 1.34 1.01 -0.24 -1.19 120.40 122.73 1jtt s VAL 129 Ca 0.53 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1jtt s VAL 129 Cb -0.29 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1jtt s VAL 129 CO 0.33 0.38 -0.08 -0.89 0.00 0.00 0.00 175.10 174.84 1jtt s THR 130 N 0.82 0.98 -0.21 3.92 2.01 -0.37 -1.05 115.64 121.73 1jtt s THR 130 Ca -0.11 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 61.55 1jtt s THR 130 Cb -0.15 -0.97 0.01 0.00 0.01 0.00 0.00 72.50 71.39 1jtt s THR 130 CO 0.02 0.34 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.51 1jtt s VAL 131 N 1.30 2.92 0.61 3.82 1.01 -1.26 -0.81 120.40 127.98 1jtt s VAL 131 Ca -0.03 -0.70 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 1jtt s VAL 131 Cb -0.14 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1jtt s VAL 131 CO -0.03 0.42 1.15 -0.44 0.00 0.00 0.00 175.10 176.20 1jtt s SER 132 N 1.40 5.25 0.00 3.32 0.01 0.17 -4.21 113.70 119.65 1jtt s SER 132 Ca 0.05 2.20 0.25 0.00 1.31 0.00 0.00 55.95 59.76 1jtt s SER 132 Cb -0.14 -2.58 1.50 0.00 0.21 0.00 0.00 66.02 65.01 1jtt s SER 132 CO -0.06 -1.54 1.86 -1.20 0.41 0.00 0.00 173.24 172.71