#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 0.32 -0.32 5.55 -0.21 -0.27 -4.99 119.66 119.74 1jto s GLN 3 Ca 0.00 -0.12 0.04 0.00 0.02 0.00 0.00 55.36 55.30 1jto s GLN 3 Cb 0.00 0.14 0.09 0.00 1.00 0.00 0.00 33.01 34.24 1jto s GLN 3 CO 0.00 -0.06 0.01 -0.51 -2.12 0.00 0.00 175.29 172.60 1jto s LEU 4 N -0.68 4.39 -0.16 2.90 1.43 -1.26 -0.91 118.68 124.40 1jto s LEU 4 Ca -0.08 -1.95 -0.22 0.00 -1.03 0.00 0.00 54.13 50.85 1jto s LEU 4 Cb -0.05 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1jto s LEU 4 CO 0.01 -0.33 0.68 -1.10 0.23 0.00 0.00 176.35 175.83 1jto s GLN 5 N 0.96 4.29 -0.12 1.70 1.11 -0.46 -4.43 119.66 122.70 1jto s GLN 5 Ca 0.06 0.75 0.02 0.00 0.01 0.00 0.00 55.36 56.19 1jto s GLN 5 Cb -0.19 -3.54 -0.00 0.00 -1.01 0.00 0.00 33.01 28.27 1jto s GLN 5 CO -0.07 -0.16 -0.19 0.00 0.01 0.00 0.00 175.29 174.88 1jto s ALA 6 N 1.61 2.39 0.31 6.09 0.00 -1.26 -0.79 121.76 130.11 1jto s ALA 6 Ca 0.32 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1jto s ALA 6 Cb -0.16 -1.03 -0.06 0.00 0.00 0.00 0.00 23.12 21.87 1jto s ALA 6 CO 0.12 0.20 0.08 -1.54 0.00 0.00 0.00 175.76 174.62 1jto s SER 7 N 0.45 1.98 0.00 0.00 1.04 -0.68 -4.98 113.70 111.51 1jto s SER 7 Ca -0.13 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 54.90 1jto s SER 7 Cb -0.17 0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1jto s SER 7 CO 0.06 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1jto n GLY 8 N -0.62 -2.89 0.80 7.32 0.00 -1.26 -1.70 105.19 106.85 1jto n GLY 8 Ca -0.02 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.34 -4.02 0.00 -0.02 0.00 -1.26 -4.91 105.19 94.64 1jto n GLY 9 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.33 3.62 3.79 -0.02 0.00 -1.23 -4.77 105.19 106.91 1jto n GLY 10 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1jto n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jto s SER 11 N 1.84 5.52 -0.07 1.61 0.01 -1.26 -0.64 113.70 120.71 1jto s SER 11 Ca 0.00 -0.08 -0.30 0.00 1.31 0.00 0.00 55.95 56.88 1jto s SER 11 Cb 0.00 -1.45 0.10 0.00 0.21 0.00 0.00 66.02 64.88 1jto s SER 11 CO 0.00 0.11 0.86 0.54 0.41 0.00 0.00 173.24 175.16 1jto s VAL 12 N -1.61 0.00 0.43 3.43 0.11 0.10 -4.93 120.40 117.93 1jto s VAL 12 Ca 0.30 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.11 1jto s VAL 12 Cb -0.11 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.66 1jto s VAL 12 CO 0.23 0.00 1.17 -1.10 -3.33 0.00 0.00 175.10 172.06 1jto s GLN 13 N -1.73 3.90 0.70 1.54 -0.21 -1.26 -1.98 119.66 120.62 1jto s GLN 13 Ca -0.03 1.80 -0.16 0.00 0.02 0.00 0.00 55.36 56.99 1jto s GLN 13 Cb -0.00 -2.53 -0.02 0.00 1.00 0.00 0.00 33.01 31.46 1jto s GLN 13 CO 0.01 -0.44 0.77 0.00 -2.12 0.00 0.00 175.29 173.51 1jto n ALA 14 N -0.23 -0.75 -0.95 6.09 0.00 0.36 -0.74 120.51 124.29 1jto n ALA 14 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1jto n ALA 14 Cb 0.47 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 1.36 0.60 0.00 0.00 0.00 -0.94 -4.89 105.19 101.32 1jto n GLY 15 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.10 0.98 3.20 -0.02 0.00 0.08 -4.41 105.19 102.92 1jto n GLY 16 Ca 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.00 -0.13 0.06 1.61 0.01 -1.26 -2.05 113.70 110.93 1jto s SER 17 Ca 0.00 0.01 -0.01 0.00 1.31 0.00 0.00 55.95 57.26 1jto s SER 17 Cb 0.00 0.29 -0.04 0.00 0.21 0.00 0.00 66.02 66.48 1jto s SER 17 CO 0.00 -0.42 -0.03 -0.76 0.41 0.00 0.00 173.24 172.44 1jto s LEU 18 N -1.32 2.49 -0.24 2.44 1.43 -0.68 -5.00 118.68 117.81 1jto s LEU 18 Ca -0.14 -1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 51.96 1jto s LEU 18 Cb -0.06 0.17 0.07 0.00 0.03 0.00 0.00 46.19 46.40 1jto s LEU 18 CO 0.03 -0.58 0.02 -0.60 0.23 0.00 0.00 176.35 175.45 1jto s ARG 19 N -3.89 1.04 0.27 1.70 3.52 -1.26 -0.69 118.95 119.63 1jto s ARG 19 Ca 0.07 -0.83 -0.12 0.00 -0.13 0.00 0.00 55.73 54.72 1jto s ARG 19 Cb 0.08 -2.29 -0.08 0.00 -1.56 0.00 0.00 34.95 31.09 1jto s ARG 19 CO -0.09 -0.72 0.63 -0.51 -0.81 0.00 0.00 175.30 173.79 1jto s LEU 20 N 1.60 4.13 0.04 -0.88 1.43 -0.69 -4.27 118.68 120.05 1jto s LEU 20 Ca 0.00 1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 54.17 1jto s LEU 20 Cb -0.18 -3.84 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 1jto s LEU 20 CO -0.11 -0.13 -0.03 -0.94 0.23 0.00 0.00 176.35 175.37 1jto s SER 21 N -2.31 0.47 -0.18 2.29 1.04 -0.69 -0.55 113.70 113.77 1jto s SER 21 Ca 0.50 -0.81 -0.04 0.00 0.48 0.00 0.00 55.95 56.08 1jto s SER 21 Cb -0.11 0.15 0.09 0.00 0.10 0.00 0.00 66.02 66.25 1jto s SER 21 CO 0.20 -0.47 0.29 0.00 0.98 0.00 0.00 173.24 174.23 1jto s ALA 23 N 2.44 3.75 -0.09 0.00 0.00 0.03 -1.08 121.76 126.81 1jto s ALA 23 Ca 0.05 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1jto s ALA 23 Cb -0.14 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 1jto s ALA 23 CO -0.12 0.62 -0.10 0.00 0.00 0.00 0.00 175.76 176.17 1jto s ALA 24 N -1.01 2.82 0.09 0.00 0.00 -0.61 -1.36 121.76 121.68 1jto s ALA 24 Ca 0.15 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.25 1jto s ALA 24 Cb -0.12 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 1jto s ALA 24 CO 0.04 0.45 -0.11 -1.12 0.00 0.00 0.00 175.76 175.02 1jto s SER 25 N -0.37 1.42 0.00 0.00 0.01 -0.08 -4.80 113.70 109.88 1jto s SER 25 Ca 0.05 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1jto s SER 25 Cb -0.12 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.11 1jto s SER 25 CO 0.02 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1jto n GLY 26 N 0.80 0.51 3.62 3.44 0.00 -1.26 -1.11 105.19 111.18 1jto n GLY 26 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.23 3.21 -0.01 1.61 1.51 -1.26 -4.61 117.35 115.57 1jto s TYR 27 Ca 0.00 0.90 -0.21 0.00 -1.01 0.00 0.00 57.07 56.74 1jto s TYR 27 Cb 0.00 -3.24 -0.22 0.00 -0.11 0.00 0.00 41.96 38.40 1jto s TYR 27 CO 0.00 -0.56 1.11 1.15 -1.11 0.00 0.00 175.55 176.14 1jto h THR 28 N 5.58 1.46 -3.65 -0.71 2.02 -2.02 -3.46 112.91 112.13 1jto h THR 28 Ca -0.24 -1.92 -0.19 0.00 0.77 0.00 0.00 66.41 64.83 1jto h THR 28 Cb 1.09 2.54 -0.25 0.00 -1.74 0.00 0.00 68.15 69.79 1jto h THR 28 CO 0.89 0.55 -0.64 -0.51 0.37 0.00 0.00 175.52 176.19 1jto s ILE 29 N -3.34 0.03 0.00 3.11 1.10 -1.26 -5.11 121.20 115.74 1jto s ILE 29 Ca -0.14 -0.29 0.00 0.00 -0.51 0.00 0.00 60.65 59.71 1jto s ILE 29 Cb 0.03 -0.18 0.00 0.00 0.15 0.00 0.00 42.46 42.46 1jto s ILE 29 CO 0.78 -0.16 0.00 0.61 -2.11 0.00 0.00 174.94 174.07 1jto n GLY 30 N 2.52 -1.69 3.63 1.50 0.00 -1.26 -4.89 105.19 105.00 1jto n GLY 30 Ca -0.16 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 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 0.46 0.03 1.61 0.04 -1.26 -4.85 135.00 131.03 1jto s PRO 31 Ca 0.00 1.00 0.04 0.00 0.04 0.00 0.00 61.00 62.08 1jto s PRO 31 Cb 0.00 -1.70 -0.24 0.00 0.04 0.00 0.00 34.50 32.59 1jto s PRO 31 CO 0.00 -2.84 0.93 -0.92 0.04 0.00 0.00 177.00 174.22 1jto h TYR 32 N -1.99 0.19 -3.95 0.56 3.20 -1.41 -3.43 116.97 110.14 1jto h TYR 32 Ca -0.52 -0.14 -0.29 0.00 3.14 0.00 0.00 58.73 60.92 1jto h TYR 32 Cb 1.30 -0.01 -0.21 0.00 1.54 0.00 0.00 36.73 39.35 1jto h TYR 32 CO 0.39 1.16 -0.74 0.00 -1.64 0.00 0.00 178.16 177.33 1jto s MET 34 N -1.71 0.26 0.16 0.00 -1.94 -1.10 -0.94 119.30 114.04 1jto s MET 34 Ca -0.08 0.40 -0.05 0.00 -1.71 0.00 0.00 55.69 54.26 1jto s MET 34 Cb -0.09 0.06 0.02 0.00 2.01 0.00 0.00 34.83 36.83 1jto s MET 34 CO 0.00 -0.07 0.30 0.41 -0.01 0.00 0.00 175.02 175.65 1jto n GLY 35 N 3.33 1.91 3.08 -0.03 0.00 0.15 -0.77 105.19 112.86 1jto n GLY 35 Ca -0.16 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.39 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 -5.48 1.42 0.04 1.61 0.52 0.11 -1.87 118.94 115.28 1jto s TRP 36 Ca 0.09 -0.40 0.08 0.00 0.02 0.00 0.00 56.10 55.88 1jto s TRP 36 Cb -0.02 -0.98 -0.03 0.00 -1.15 0.00 0.00 33.47 31.30 1jto s TRP 36 CO 0.06 -0.15 -0.22 -0.06 0.02 0.00 0.00 176.95 176.61 1jto s PHE 37 N 0.14 1.91 0.08 -1.98 0.40 0.45 0.09 117.98 119.07 1jto s PHE 37 Ca -0.04 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 55.94 1jto s PHE 37 Cb -0.11 -1.14 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 1jto s PHE 37 CO 0.02 0.09 -0.11 -0.98 0.70 0.00 0.00 175.22 174.94 1jto s ARG 38 N -1.15 0.78 -0.12 0.44 1.70 -0.11 0.19 118.95 120.67 1jto s ARG 38 Ca 0.08 -1.03 -0.02 0.00 -0.47 0.00 0.00 55.73 54.29 1jto s ARG 38 Cb -0.09 -0.55 0.04 0.00 -0.57 0.00 0.00 34.95 33.78 1jto s ARG 38 CO 0.02 0.10 0.01 -1.14 -1.08 0.00 0.00 175.30 173.21 1jto s GLN 39 N -2.31 0.68 0.43 3.89 0.74 -0.02 -1.22 119.66 121.85 1jto s GLN 39 Ca 0.01 -0.13 -0.07 0.00 0.05 0.00 0.00 55.36 55.21 1jto s GLN 39 Cb -0.06 -1.48 -0.05 0.00 1.10 0.00 0.00 33.01 32.52 1jto s GLN 39 CO 0.01 -0.44 0.75 0.00 -0.55 0.00 0.00 175.29 175.06 1jto s ALA 40 N 1.91 3.40 0.31 1.58 0.00 -1.26 -1.69 121.76 126.01 1jto s ALA 40 Ca 0.03 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 1jto s ALA 40 Cb -0.14 -2.61 -0.11 0.00 0.00 0.00 0.00 23.12 20.26 1jto s ALA 40 CO -0.07 -0.15 1.49 -1.25 0.00 0.00 0.00 175.76 175.79 1jto s PRO 41 N -4.24 4.18 0.00 0.00 0.04 -1.26 -1.91 135.00 131.81 1jto s PRO 41 Ca 0.49 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.99 1jto s PRO 41 Cb -0.10 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1jto s PRO 41 CO 0.38 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1jto n GLY 42 N 1.59 1.89 3.52 0.56 0.00 -1.26 -5.01 105.19 106.48 1jto n GLY 42 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.02 1.78 0.57 1.61 1.02 -0.80 -5.13 119.74 118.76 1jto s LYS 43 Ca 0.00 -1.89 -0.16 0.00 0.02 0.00 0.00 55.97 53.94 1jto s LYS 43 Cb 0.00 -1.72 -0.05 0.00 -0.52 0.00 0.00 37.83 35.54 1jto s LYS 43 CO 0.00 0.20 1.04 -2.00 -0.92 0.00 0.00 175.35 173.66 1jto s GLU 44 N -3.58 3.48 0.34 1.68 2.56 -1.26 -4.55 118.70 117.37 1jto s GLU 44 Ca 0.32 1.13 -0.29 0.00 0.00 0.00 0.00 54.97 56.13 1jto s GLU 44 Cb 0.00 -2.06 -0.11 0.00 2.00 0.00 0.00 34.13 33.97 1jto s GLU 44 CO 0.16 -0.67 1.39 0.50 -0.56 0.00 0.00 175.26 176.08 1jto s ARG 45 N -4.09 4.25 0.04 4.30 3.52 -1.26 -4.65 118.95 121.05 1jto s ARG 45 Ca 0.62 2.37 0.02 0.00 -0.13 0.00 0.00 55.73 58.61 1jto s ARG 45 Cb -0.14 -3.03 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1jto s ARG 45 CO 0.36 -0.35 -0.07 -1.83 -0.81 0.00 0.00 175.30 172.60 1jto s GLU 46 N -1.80 0.48 0.43 5.12 -1.05 -0.36 -4.90 118.70 116.62 1jto s GLU 46 Ca 0.51 -0.70 -0.23 0.00 -0.15 0.00 0.00 54.97 54.40 1jto s GLU 46 Cb -0.43 -0.21 -0.08 0.00 -0.44 0.00 0.00 34.13 32.96 1jto s GLU 46 CO 0.56 0.03 1.08 0.20 0.95 0.00 0.00 175.26 178.08 1jto s GLY 47 N -1.49 2.70 -0.02 -3.83 0.00 -1.24 -0.94 107.32 102.50 1jto s GLY 47 Ca -0.11 0.75 -0.02 0.00 0.00 0.00 0.00 44.72 45.34 1jto s GLY 47 CO 0.00 1.16 -0.05 -0.62 0.00 0.00 0.00 173.10 173.59 1jto n VAL 48 N -0.37 0.38 -3.56 1.40 0.31 0.11 -4.58 118.33 112.02 1jto n VAL 48 Ca 0.06 0.01 -0.16 0.00 -0.01 0.00 0.00 64.34 64.25 1jto n VAL 48 Cb 0.50 -1.57 -0.06 0.00 -0.91 0.00 0.00 33.84 31.79 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 -2.08 -1.48 0.10 3.52 0.00 -1.18 -1.56 121.76 119.09 1jto s ALA 49 Ca -0.05 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 52.71 1jto s ALA 49 Cb 0.02 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1jto s ALA 49 CO 0.07 -0.42 0.23 0.00 0.00 0.00 0.00 175.76 175.63 1jto s ALA 50 N -1.78 -0.30 -0.13 0.00 0.00 -0.45 0.06 121.76 119.16 1jto s ALA 50 Ca -0.09 -0.56 -0.08 0.00 0.00 0.00 0.00 51.96 51.23 1jto s ALA 50 Cb -0.01 0.55 0.04 0.00 0.00 0.00 0.00 23.12 23.71 1jto s ALA 50 CO 0.04 -0.54 0.31 -1.50 0.00 0.00 0.00 175.76 174.07 1jto s ILE 51 N -3.86 -0.02 -0.45 0.00 2.07 0.05 -1.24 121.20 117.75 1jto s ILE 51 Ca 0.06 0.08 -0.29 0.00 -1.41 0.00 0.00 60.65 59.09 1jto s ILE 51 Cb 0.04 -0.46 0.01 0.00 0.13 0.00 0.00 42.46 42.18 1jto s ILE 51 CO -0.10 0.03 1.42 0.20 -1.91 0.00 0.00 174.94 174.58 1jto s ASN 52 N 0.89 6.27 0.53 4.50 -0.87 -0.92 -2.70 114.94 122.63 1jto s ASN 52 Ca -0.06 0.69 0.30 0.00 -1.57 0.00 0.00 52.86 52.22 1jto s ASN 52 Cb -0.07 -2.54 1.44 0.00 -0.02 0.00 0.00 41.25 40.06 1jto s ASN 52 CO -0.06 -1.52 1.90 0.24 -2.57 0.00 0.00 177.10 175.09 1jto h MET 53 N 10.88 0.03 -4.44 -0.60 2.86 -1.37 -1.44 114.93 120.85 1jto h MET 53 Ca -0.27 -0.00 -0.72 0.00 -2.06 0.00 0.00 59.70 56.64 1jto h MET 53 Cb 1.10 -0.01 -0.23 0.00 0.06 0.00 0.00 31.60 32.52 1jto h MET 53 CO 1.11 0.02 -0.42 0.20 1.06 0.00 0.00 176.91 178.88 1jto s GLY 54 N -3.97 2.00 0.00 8.32 0.00 -1.26 -4.37 107.32 108.04 1jto s GLY 54 Ca -0.05 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.73 1jto s GLY 54 CO 0.77 0.96 0.00 0.61 0.00 0.00 0.00 173.10 175.44 1jto n GLY 55 N 5.10 1.85 2.48 0.20 0.00 -1.24 -4.74 105.19 108.84 1jto n GLY 55 Ca -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1jto n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jto n GLY 56 N 0.00 1.07 3.56 -0.02 0.00 -0.54 -5.01 105.19 104.25 1jto n GLY 56 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1jto n GLY 56 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jto n ILE 57 N -2.00 2.37 -4.35 -0.61 2.08 -1.26 -4.71 119.36 110.88 1jto n ILE 57 Ca 0.00 -0.50 -0.23 0.00 0.56 0.00 0.00 62.75 62.58 1jto n ILE 57 Cb 0.00 -0.96 -0.11 0.00 -0.75 0.00 0.00 39.64 37.82 1jto n ILE 57 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1jto s THR 58 N -1.37 1.91 -0.00 1.39 -4.23 -1.26 -2.17 115.64 109.91 1jto s THR 58 Ca 0.65 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.24 1jto s THR 58 Cb -0.56 -1.88 -0.00 0.00 1.34 0.00 0.00 72.50 71.40 1jto s THR 58 CO 0.56 -0.28 -0.04 -0.31 -0.54 0.00 0.00 174.62 174.02 1jto s TYR 59 N -1.97 0.32 0.00 3.99 1.51 -0.37 -4.99 117.35 115.84 1jto s TYR 59 Ca 0.16 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.18 1jto s TYR 59 Cb -0.06 -0.21 -0.01 0.00 -0.11 0.00 0.00 41.96 41.57 1jto s TYR 59 CO 0.07 -0.01 -0.08 0.71 -1.11 0.00 0.00 175.55 175.13 1jto s TYR 60 N -0.10 0.72 0.58 2.71 1.51 -1.26 -1.34 117.35 120.17 1jto s TYR 60 Ca 0.01 -0.17 -0.19 0.00 -1.01 0.00 0.00 57.07 55.71 1jto s TYR 60 Cb -0.01 -0.45 -0.04 0.00 -0.11 0.00 0.00 41.96 41.34 1jto s TYR 60 CO -0.00 -0.01 1.20 0.00 -1.11 0.00 0.00 175.55 175.62 1jto s ALA 61 N -0.32 2.58 0.21 3.71 0.00 -0.60 -4.78 121.76 122.56 1jto s ALA 61 Ca 0.02 0.99 -0.10 0.00 0.00 0.00 0.00 51.96 52.87 1jto s ALA 61 Cb -0.04 -3.44 0.28 0.00 0.00 0.00 0.00 23.12 19.92 1jto s ALA 61 CO -0.00 -1.10 1.73 -0.44 0.00 0.00 0.00 175.76 175.94 1jto h ASP 62 N 0.97 0.12 0.00 0.00 3.32 -1.93 -1.39 116.42 117.52 1jto h ASP 62 Ca -0.50 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1jto h ASP 62 Cb 1.29 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1jto h ASP 62 CO 0.55 0.08 0.00 -1.54 -1.72 0.00 0.00 179.24 176.61 1jto n SER 63 N -5.05 0.03 0.00 6.45 3.41 -1.26 -2.58 113.62 114.61 1jto n SER 63 Ca 0.08 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1jto n SER 63 Cb 0.29 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1jto n SER 63 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1jto n VAL 64 N -0.32 0.00 -1.54 -3.33 0.31 -0.57 -5.03 118.33 107.84 1jto n VAL 64 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1jto n VAL 64 Cb 0.01 0.47 -0.00 0.00 -0.91 0.00 0.00 33.84 33.41 1jto n VAL 64 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1jto n LYS 65 N 0.00 1.03 0.00 5.55 4.81 -0.94 -1.31 118.16 127.29 1jto n LYS 65 Ca 0.00 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 1jto n LYS 65 Cb 0.00 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.29 1jto n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jto n GLY 66 N 1.43 1.87 0.09 3.14 0.00 -1.26 -4.66 105.19 105.80 1jto n GLY 66 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1jto n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jto h ARG 67 N 0.21 0.00 -6.06 1.61 2.43 -1.51 -3.48 114.38 107.57 1jto h ARG 67 Ca 0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 1jto h ARG 67 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1jto h ARG 67 CO 0.00 0.90 -0.44 -0.06 -1.51 0.00 0.00 179.97 178.86 1jto s PHE 68 N -2.31 3.49 -0.03 2.20 0.08 -0.90 -2.64 117.98 117.87 1jto s PHE 68 Ca -0.25 0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.02 1jto s PHE 68 Cb 0.04 -1.74 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 1jto s PHE 68 CO 0.56 0.50 -0.04 0.99 -0.10 0.00 0.00 175.22 177.13 1jto s THR 69 N -1.72 0.47 0.06 0.64 2.01 -0.21 -4.87 115.64 112.03 1jto s THR 69 Ca 0.36 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.26 1jto s THR 69 Cb -0.11 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 1jto s THR 69 CO 0.28 0.19 0.05 -0.51 -0.69 0.00 0.00 174.62 173.94 1jto s ILE 70 N 0.65 4.38 -0.03 1.82 2.07 -1.26 0.31 121.20 129.13 1jto s ILE 70 Ca -0.08 -0.77 -0.29 0.00 -1.41 0.00 0.00 60.65 58.10 1jto s ILE 70 Cb -0.11 -3.07 0.08 0.00 0.13 0.00 0.00 42.46 39.48 1jto s ILE 70 CO -0.00 0.18 0.72 -0.94 -1.91 0.00 0.00 174.94 172.99 1jto s SER 71 N -2.21 -0.59 0.08 4.50 1.04 -0.12 -4.96 113.70 111.45 1jto s SER 71 Ca 0.27 0.52 0.05 0.00 0.48 0.00 0.00 55.95 57.27 1jto s SER 71 Cb -0.12 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1jto s SER 71 CO 0.19 -0.63 -0.04 0.00 0.98 0.00 0.00 173.24 173.73 1jto s GLN 72 N -1.69 2.40 0.53 4.02 -2.07 -1.26 0.14 119.66 121.74 1jto s GLN 72 Ca -0.07 -0.88 -0.19 0.00 -1.82 0.00 0.00 55.36 52.40 1jto s GLN 72 Cb -0.00 -2.45 -0.06 0.00 -1.09 0.00 0.00 33.01 29.40 1jto s GLN 72 CO 0.04 0.54 1.06 0.34 -1.32 0.00 0.00 175.29 175.95 1jto s ASP 73 N -2.14 6.02 0.62 12.60 2.15 0.16 -4.89 116.67 131.19 1jto s ASP 73 Ca 0.23 1.95 0.09 0.00 0.43 0.00 0.00 52.55 55.25 1jto s ASP 73 Cb -0.11 -2.56 0.48 0.00 -0.30 0.00 0.00 42.92 40.43 1jto s ASP 73 CO 0.15 -1.00 1.25 0.78 -0.17 0.00 0.00 175.17 176.18 1jto h ASN 74 N 1.14 0.00 0.00 -0.34 2.35 -1.99 -3.35 115.58 113.39 1jto h ASN 74 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1jto h ASN 74 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1jto h ASN 74 CO 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.36 1jto n ALA 75 N -1.59 0.00 0.42 -0.83 0.00 -1.26 -5.02 120.51 112.24 1jto n ALA 75 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1jto n ALA 75 Cb 0.78 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.49 1jto n ALA 75 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jto n LYS 76 N 0.00 2.27 -3.16 0.00 5.02 -1.26 -4.92 118.16 116.11 1jto n LYS 76 Ca 0.00 -1.95 -0.23 0.00 -2.02 0.00 0.00 58.31 54.12 1jto n LYS 76 Cb 0.00 -1.46 0.05 0.00 -0.02 0.00 0.00 35.03 33.60 1jto n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1jto n ASN 77 N 1.11 -6.17 -4.22 4.39 2.85 -1.26 -4.55 115.26 107.41 1jto n ASN 77 Ca 0.19 -0.35 -0.27 0.00 -0.11 0.00 0.00 54.58 54.04 1jto n ASN 77 Cb 0.49 -4.94 -0.15 0.00 1.24 0.00 0.00 39.78 36.42 1jto n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1jto s THR 78 N -3.21 1.62 0.09 -0.44 2.01 -1.26 -1.57 115.64 112.87 1jto s THR 78 Ca 0.37 -0.94 0.10 0.00 0.31 0.00 0.00 61.69 61.53 1jto s THR 78 Cb -0.17 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1jto s THR 78 CO 0.46 0.40 -0.23 0.68 -0.69 0.00 0.00 174.62 175.24 1jto s VAL 79 N -0.55 2.45 -0.06 3.82 -7.23 -0.24 0.38 120.40 118.97 1jto s VAL 79 Ca 0.08 -1.53 0.06 0.00 -1.81 0.00 0.00 61.98 58.77 1jto s VAL 79 Cb -0.08 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.79 1jto s VAL 79 CO -0.00 0.19 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.42 1jto s TYR 80 N -1.00 2.41 -0.37 2.82 2.02 0.38 -1.23 117.35 122.37 1jto s TYR 80 Ca 0.14 -0.74 -0.02 0.00 -0.37 0.00 0.00 57.07 56.08 1jto s TYR 80 Cb -0.10 -1.59 0.09 0.00 -0.40 0.00 0.00 41.96 39.96 1jto s TYR 80 CO 0.06 -0.23 0.13 -1.17 -1.57 0.00 0.00 175.55 172.76 1jto s LEU 81 N -0.11 4.77 -0.16 -1.29 2.96 0.29 -0.94 118.68 124.20 1jto s LEU 81 Ca -0.05 -1.78 -0.24 0.00 -0.22 0.00 0.00 54.13 51.85 1jto s LEU 81 Cb -0.14 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 1jto s LEU 81 CO 0.04 -0.44 0.76 -0.22 -1.32 0.00 0.00 176.35 175.17 1jto s LEU 82 N 1.17 4.18 -0.34 -0.68 2.96 0.15 -1.70 118.68 124.42 1jto s LEU 82 Ca 0.04 1.08 -0.02 0.00 -0.22 0.00 0.00 54.13 55.01 1jto s LEU 82 Cb -0.21 -3.12 0.07 0.00 0.50 0.00 0.00 46.19 43.43 1jto s LEU 82 CO -0.03 -0.33 0.07 -0.04 -1.32 0.00 0.00 176.35 174.70 1jto s MET 83 N 1.92 2.23 0.12 1.98 -1.94 0.13 -1.04 119.30 122.70 1jto s MET 83 Ca 0.36 -1.48 0.04 0.00 -1.71 0.00 0.00 55.69 52.90 1jto s MET 83 Cb -0.16 -3.32 -0.04 0.00 2.01 0.00 0.00 34.83 33.32 1jto s MET 83 CO 0.13 -0.79 0.09 -0.80 -0.01 0.00 0.00 175.02 173.63 1jto s ASN 84 N 1.42 5.42 -1.07 3.03 0.01 -1.08 -1.68 114.94 120.99 1jto s ASN 84 Ca 0.00 -0.09 -0.15 0.00 -0.71 0.00 0.00 52.86 51.91 1jto s ASN 84 Cb -0.21 -1.41 -0.02 0.00 0.41 0.00 0.00 41.25 40.02 1jto s ASN 84 CO -0.02 0.13 0.81 -1.20 -1.51 0.00 0.00 177.10 175.31 1jto n SER 85 N 0.15 -5.85 -4.57 -1.22 7.64 -0.87 -4.61 113.62 104.30 1jto n SER 85 Ca -0.09 -0.87 -0.41 0.00 1.01 0.00 0.00 58.87 58.51 1jto n SER 85 Cb 0.53 -3.90 -0.03 0.00 -1.01 0.00 0.00 64.21 59.80 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 -5.95 3.33 0.22 -3.43 1.02 -1.05 -4.70 118.68 108.13 1jto s LEU 86 Ca 0.42 0.11 -0.17 0.00 0.02 0.00 0.00 54.13 54.50 1jto s LEU 86 Cb -0.12 -2.86 -0.08 0.00 0.02 0.00 0.00 46.19 43.14 1jto s LEU 86 CO 0.82 -1.83 0.68 -1.61 0.02 0.00 0.00 176.35 174.43 1jto s GLU 87 N 5.77 4.13 0.37 1.70 2.02 -1.26 -2.22 118.70 129.20 1jto s GLU 87 Ca 0.50 0.72 0.24 0.00 0.02 0.00 0.00 54.97 56.45 1jto s GLU 87 Cb -0.10 -2.81 1.29 0.00 0.10 0.00 0.00 34.13 32.60 1jto s GLU 87 CO 0.22 0.37 1.42 -0.35 0.02 0.00 0.00 175.26 176.95 1jto n PRO 88 N 0.54 -0.04 0.00 0.39 -0.04 -1.26 0.82 135.00 135.40 1jto n PRO 88 Ca -0.02 1.19 0.02 0.00 -0.04 0.00 0.00 63.50 64.65 1jto n PRO 88 Cb 0.52 -2.24 0.10 0.00 -0.04 0.00 0.00 33.50 31.83 1jto n PRO 88 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1jto n GLU 89 N -4.78 0.67 0.00 0.54 0.00 -1.26 -1.36 120.64 114.45 1jto n GLU 89 Ca 0.36 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.64 1jto n GLU 89 Cb 1.30 -1.08 0.35 0.00 0.00 0.00 0.00 31.44 32.01 1jto n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1jto n ASP 90 N -0.58 1.52 -4.69 -1.84 10.43 0.24 -4.89 116.55 116.75 1jto n ASP 90 Ca 0.02 -1.29 -0.42 0.00 2.57 0.00 0.00 54.79 55.67 1jto n ASP 90 Cb 0.01 0.12 -0.03 0.00 1.84 0.00 0.00 41.12 43.07 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 -2.28 3.43 0.00 -3.53 2.01 -0.47 -4.89 115.64 109.92 1jto s THR 91 Ca 0.28 0.84 0.00 0.00 0.31 0.00 0.00 61.69 63.12 1jto s THR 91 Cb 0.20 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 69.17 1jto s THR 91 CO 0.44 -0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.37 1jto n ALA 92 N 5.49 0.00 -2.67 7.40 0.00 -0.56 -4.50 120.51 125.67 1jto n ALA 92 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 1jto n ALA 92 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 1jto n ALA 92 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jto s ILE 93 N -2.00 4.96 -0.20 0.00 1.01 -0.68 -1.62 121.20 122.67 1jto s ILE 93 Ca 0.00 1.40 -0.12 0.00 0.00 0.00 0.00 60.65 61.93 1jto s ILE 93 Cb 0.00 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 1jto s ILE 93 CO 0.00 0.09 0.23 -0.31 0.00 0.00 0.00 174.94 174.95 1jto s TYR 94 N 1.91 3.38 -0.11 3.97 1.51 0.12 -0.84 117.35 127.29 1jto s TYR 94 Ca 0.34 0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 56.80 1jto s TYR 94 Cb -0.16 -2.31 -0.02 0.00 -0.11 0.00 0.00 41.96 39.36 1jto s TYR 94 CO 0.12 0.15 -0.08 0.71 -1.11 0.00 0.00 175.55 175.33 1jto s TYR 95 N 0.80 2.91 -0.07 2.71 2.02 0.52 -1.32 117.35 124.92 1jto s TYR 95 Ca 0.12 -0.28 -0.15 0.00 -0.37 0.00 0.00 57.07 56.39 1jto s TYR 95 Cb -0.13 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.56 1jto s TYR 95 CO 0.03 0.05 0.40 0.00 -1.57 0.00 0.00 175.55 174.46 1jto s ALA 97 N -0.24 0.16 0.05 0.00 0.00 -0.78 -0.86 121.76 120.09 1jto s ALA 97 Ca 0.23 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 1jto s ALA 97 Cb -0.15 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1jto s ALA 97 CO 0.10 -0.36 -0.00 0.00 0.00 0.00 0.00 175.76 175.50 1jto s ALA 98 N -3.29 0.33 -0.26 0.00 0.00 -0.63 -0.68 121.76 117.23 1jto s ALA 98 Ca 0.01 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1jto s ALA 98 Cb 0.03 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.43 1jto s ALA 98 CO -0.08 -0.34 -0.03 0.34 0.00 0.00 0.00 175.76 175.66 1jto s ASP 99 N -2.57 4.52 0.47 0.00 3.68 -0.11 -2.36 116.67 120.30 1jto s ASP 99 Ca 0.01 -0.82 0.27 0.00 2.13 0.00 0.00 52.55 54.14 1jto s ASP 99 Cb 0.04 -1.72 0.80 0.00 -1.45 0.00 0.00 42.92 40.59 1jto s ASP 99 CO -0.08 -0.14 1.78 0.28 0.13 0.00 0.00 175.17 177.14 1jto h SER 100 N 8.07 0.00 -2.50 -0.34 0.02 -1.86 -1.00 113.55 115.93 1jto h SER 100 Ca -0.32 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.09 1jto h SER 100 Cb 1.11 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.66 1jto h SER 100 CO 0.58 0.06 1.15 -0.89 -1.14 0.00 0.00 176.83 176.59 1jto s THR 101 N -3.43 3.25 -0.76 -2.27 2.01 -1.26 -4.54 115.64 108.63 1jto s THR 101 Ca 0.04 0.35 -0.20 0.00 0.31 0.00 0.00 61.69 62.19 1jto s THR 101 Cb 0.07 -3.23 0.10 0.00 0.01 0.00 0.00 72.50 69.46 1jto s THR 101 CO 0.62 -0.03 0.99 -0.63 -0.69 0.00 0.00 174.62 174.88 1jto s ILE 102 N 4.10 4.59 0.44 1.82 -1.09 -1.26 -4.48 121.20 125.32 1jto s ILE 102 Ca 0.81 -1.00 -0.25 0.00 -2.23 0.00 0.00 60.65 57.98 1jto s ILE 102 Cb -0.39 -4.69 -0.08 0.00 -1.58 0.00 0.00 42.46 35.72 1jto s ILE 102 CO 0.36 -1.42 1.37 -0.31 -1.23 0.00 0.00 174.94 173.71 1jto s TYR 103 N 3.22 2.58 -0.04 3.97 1.51 -1.26 -4.98 117.35 122.35 1jto s TYR 103 Ca 0.25 1.33 -0.24 0.00 -1.01 0.00 0.00 57.07 57.40 1jto s TYR 103 Cb -0.13 -3.81 -0.23 0.00 -0.11 0.00 0.00 41.96 37.69 1jto s TYR 103 CO 0.01 -2.60 1.07 0.00 -1.11 0.00 0.00 175.55 172.92 1jto h ALA 104 N 2.36 0.05 -1.27 3.71 0.00 -2.04 -3.46 119.26 118.61 1jto h ALA 104 Ca -0.50 -0.45 -0.46 0.00 0.00 0.00 0.00 54.91 53.50 1jto h ALA 104 Cb 1.26 0.01 0.04 0.00 0.00 0.00 0.00 17.79 19.10 1jto h ALA 104 CO 0.61 0.09 -0.08 -1.12 0.00 0.00 0.00 179.25 178.76 1jto s SER 105 N -6.31 5.09 0.29 0.00 0.01 -1.26 -5.05 113.70 106.47 1jto s SER 105 Ca -0.15 -0.48 -0.29 0.00 1.31 0.00 0.00 55.95 56.34 1jto s SER 105 Cb 0.01 -0.22 -0.10 0.00 0.21 0.00 0.00 66.02 65.92 1jto s SER 105 CO 0.75 -1.29 1.30 -0.47 0.41 0.00 0.00 173.24 173.93 1jto s TYR 106 N -2.72 3.15 -0.02 2.43 5.04 -1.26 -5.00 117.35 118.96 1jto s TYR 106 Ca 0.60 1.37 0.02 0.00 -2.44 0.00 0.00 57.07 56.62 1jto s TYR 106 Cb -0.07 -3.63 0.01 0.00 0.35 0.00 0.00 41.96 38.61 1jto s TYR 106 CO 0.39 -1.79 -0.05 -0.47 -1.34 0.00 0.00 175.55 172.29 1jto s TYR 107 N -0.77 0.62 -0.37 4.97 5.04 -1.26 -5.11 117.35 120.46 1jto s TYR 107 Ca 0.51 -0.13 -0.15 0.00 -2.44 0.00 0.00 57.07 54.85 1jto s TYR 107 Cb -0.38 -0.48 -0.00 0.00 0.35 0.00 0.00 41.96 41.45 1jto s TYR 107 CO 0.48 -0.08 0.34 -1.21 -1.34 0.00 0.00 175.55 173.74 1jto s GLU 108 N 0.32 3.35 0.33 4.97 2.02 -1.26 -4.93 118.70 123.50 1jto s GLU 108 Ca -0.04 -0.64 0.18 0.00 0.02 0.00 0.00 54.97 54.49 1jto s GLU 108 Cb -0.08 -3.87 0.99 0.00 0.10 0.00 0.00 34.13 31.27 1jto s GLU 108 CO -0.00 -0.62 1.51 0.00 0.02 0.00 0.00 175.26 176.17 1jto h GLY 110 N 0.00 0.46 0.01 0.00 0.00 -1.91 -3.23 103.07 98.39 1jto h GLY 110 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 47.33 46.92 1jto h GLY 110 CO 0.00 0.44 -0.27 0.45 0.00 0.00 0.00 176.54 177.16 1jto h HIS 111 N 0.34 -0.72 0.00 5.60 3.86 -1.48 0.50 115.15 123.24 1jto h HIS 111 Ca 0.02 0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1jto h HIS 111 Cb 0.96 0.36 -0.01 0.00 1.06 0.00 0.00 27.41 29.78 1jto h HIS 111 CO 0.03 -0.34 -0.21 0.78 0.86 0.00 0.00 177.93 179.05 1jto h GLY 112 N -0.24 0.00 0.99 2.45 0.00 -1.74 -2.89 103.07 101.65 1jto h GLY 112 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1jto h GLY 112 CO -0.46 0.00 -0.17 -2.00 0.00 0.00 0.00 176.54 173.92 1jto h LEU 113 N 0.00 -0.40 -0.56 3.11 5.85 -0.93 0.20 115.31 122.58 1jto h LEU 113 Ca -0.00 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.59 1jto h LEU 113 Cb 0.39 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1jto h LEU 113 CO 0.03 -0.28 -0.70 0.77 -0.34 0.00 0.00 178.44 177.92 1jto h SER 114 N -0.46 0.00 -0.21 1.25 4.64 -1.39 -3.24 113.55 114.15 1jto h SER 114 Ca -0.04 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 1jto h SER 114 Cb 0.36 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.38 1jto h SER 114 CO 0.07 0.70 0.14 0.35 -0.87 0.00 0.00 176.83 177.22 1jto n THR 115 N -3.65 1.55 0.00 2.95 -2.24 -1.10 -4.82 114.28 106.97 1jto n THR 115 Ca -0.01 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1jto n THR 115 Cb 0.70 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 0.24 2.96 0.00 3.38 0.00 -1.22 -4.03 105.19 106.52 1jto n GLY 116 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 0.32 3.67 -0.02 0.00 0.69 -4.86 105.19 103.00 1jto n GLY 117 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 2.19 0.00 1.61 9.36 -1.21 -1.54 117.16 127.57 1jto n TYR 118 Ca 0.00 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.65 1jto n TYR 118 Cb 0.00 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.25 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 2.09 2.89 3.56 2.98 0.00 -1.26 -4.31 105.19 111.15 1jto n GLY 119 Ca 0.11 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.34 2.22 -0.24 1.61 1.51 -0.59 -4.43 117.35 115.08 1jto s TYR 120 Ca 0.00 -0.21 0.21 0.00 -1.01 0.00 0.00 57.07 56.06 1jto s TYR 120 Cb 0.00 -4.40 0.36 0.00 -0.11 0.00 0.00 41.96 37.81 1jto s TYR 120 CO 0.00 -1.82 1.59 0.38 -1.11 0.00 0.00 175.55 174.59 1jto h ASP 121 N 10.31 0.00 -3.49 2.29 2.03 -1.77 -3.45 116.42 122.34 1jto h ASP 121 Ca 0.17 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.81 1jto h ASP 121 Cb 1.00 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.27 1jto h ASP 121 CO 1.33 0.21 -0.72 -0.44 -1.03 0.00 0.00 179.24 178.59 1jto s SER 122 N -6.27 4.38 -0.02 4.15 0.01 -1.01 -5.01 113.70 109.93 1jto s SER 122 Ca 0.05 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.15 1jto s SER 122 Cb 0.07 -1.46 0.00 0.00 0.21 0.00 0.00 66.02 64.84 1jto s SER 122 CO 0.69 0.24 -0.07 0.26 0.41 0.00 0.00 173.24 174.76 1jto s TRP 123 N -0.06 0.75 0.74 2.43 0.52 -1.26 -1.61 118.94 120.45 1jto s TRP 123 Ca -0.01 -0.17 -0.07 0.00 0.02 0.00 0.00 56.10 55.87 1jto s TRP 123 Cb -0.14 -0.54 0.16 0.00 -1.15 0.00 0.00 33.47 31.80 1jto s TRP 123 CO 0.03 -0.08 1.01 0.41 0.02 0.00 0.00 176.95 178.34 1jto n GLY 124 N 3.28 -0.41 3.84 0.98 0.00 -0.04 -4.83 105.19 108.01 1jto n GLY 124 Ca -0.18 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 1jto n GLY 124 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jto s GLN 125 N -5.12 4.05 0.70 1.61 -0.21 -1.26 -4.65 119.66 114.78 1jto s GLN 125 Ca 0.61 0.88 -0.15 0.00 0.02 0.00 0.00 55.36 56.72 1jto s GLN 125 Cb -0.02 -2.27 0.02 0.00 1.00 0.00 0.00 33.01 31.74 1jto s GLN 125 CO 0.42 -0.03 1.15 0.20 -2.12 0.00 0.00 175.29 174.91 1jto s GLY 126 N -2.51 2.20 -0.10 3.09 0.00 -1.26 -4.65 107.32 104.09 1jto s GLY 126 Ca 0.58 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.99 1jto s GLY 126 CO 0.20 1.06 -0.11 -1.59 0.00 0.00 0.00 173.10 172.67 1jto s THR 127 N -2.22 1.17 0.25 0.90 2.01 -0.43 -4.92 115.64 112.40 1jto s THR 127 Ca 0.70 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 1jto s THR 127 Cb -0.24 -1.12 -0.09 0.00 0.01 0.00 0.00 72.50 71.06 1jto s THR 127 CO 0.44 0.38 1.03 -1.58 -0.69 0.00 0.00 174.62 174.20 1jto s GLN 128 N 1.24 4.73 -0.19 4.92 2.00 -1.26 0.10 119.66 131.21 1jto s GLN 128 Ca -0.03 1.65 -0.02 0.00 -2.00 0.00 0.00 55.36 54.96 1jto s GLN 128 Cb -0.14 -3.24 0.06 0.00 0.80 0.00 0.00 33.01 30.49 1jto s GLN 128 CO -0.04 0.33 0.02 0.08 -0.50 0.00 0.00 175.29 175.19 1jto s VAL 129 N -1.05 0.61 -0.18 1.34 1.01 -0.64 -3.55 120.40 117.94 1jto s VAL 129 Ca 0.43 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 1jto s VAL 129 Cb -0.29 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1jto s VAL 129 CO 0.36 -0.15 -0.01 -0.89 0.00 0.00 0.00 175.10 174.41 1jto s THR 130 N 1.82 3.93 -0.06 3.92 2.01 0.19 -1.50 115.64 125.96 1jto s THR 130 Ca -0.01 -0.33 0.05 0.00 0.31 0.00 0.00 61.69 61.71 1jto s THR 130 Cb -0.17 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 1jto s THR 130 CO -0.08 0.45 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.40 1jto s VAL 131 N 0.75 2.41 0.22 3.82 1.01 -1.26 -0.72 120.40 126.63 1jto s VAL 131 Ca -0.00 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.12 1jto s VAL 131 Cb -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1jto s VAL 131 CO 0.02 0.57 -0.08 -0.44 0.00 0.00 0.00 175.10 175.18 1jto s SER 132 N -0.33 4.28 0.00 3.32 0.01 -0.84 -4.55 113.70 115.59 1jto s SER 132 Ca 0.02 -0.64 0.31 0.00 1.31 0.00 0.00 55.95 56.94 1jto s SER 132 Cb -0.13 -0.72 1.65 0.00 0.21 0.00 0.00 66.02 67.03 1jto s SER 132 CO 0.02 0.06 2.08 -1.54 0.41 0.00 0.00 173.24 174.28