#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhl s VAL 2 N 0.00 2.19 -0.28 5.09 1.01 -1.26 -3.44 120.40 123.70 1jhl s VAL 2 Ca 0.00 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 1jhl s VAL 2 Cb 0.00 -3.10 0.09 0.00 0.00 0.00 0.00 36.38 33.37 1jhl s VAL 2 CO 0.00 0.02 0.70 -1.58 0.00 0.00 0.00 175.10 174.24 1jhl s GLN 3 N -0.10 0.68 -0.18 2.72 2.00 -0.60 -4.92 119.66 119.26 1jhl s GLN 3 Ca 0.65 1.22 0.01 0.00 -2.00 0.00 0.00 55.36 55.24 1jhl s GLN 3 Cb -0.47 0.21 0.02 0.00 0.80 0.00 0.00 33.01 33.57 1jhl s GLN 3 CO 0.44 -0.15 -0.19 -0.51 -0.50 0.00 0.00 175.29 174.37 1jhl s LEU 4 N 1.75 2.17 -0.05 3.68 1.02 -1.26 -0.06 118.68 125.93 1jhl s LEU 4 Ca -0.10 -0.63 0.02 0.00 0.02 0.00 0.00 54.13 53.44 1jhl s LEU 4 Cb -0.06 -1.49 0.02 0.00 0.02 0.00 0.00 46.19 44.68 1jhl s LEU 4 CO -0.20 0.01 -0.08 -1.58 0.02 0.00 0.00 176.35 174.53 1jhl s GLN 5 N 1.24 1.17 0.53 1.70 2.00 -0.70 -4.10 119.66 121.49 1jhl s GLN 5 Ca 0.04 -0.24 0.05 0.00 -2.00 0.00 0.00 55.36 53.21 1jhl s GLN 5 Cb -0.13 -1.05 0.05 0.00 0.80 0.00 0.00 33.01 32.67 1jhl s GLN 5 CO -0.11 -0.02 0.73 -0.65 -0.50 0.00 0.00 175.29 174.73 1jhl s GLN 6 N 0.75 2.50 0.89 1.67 -0.21 -1.26 -1.47 119.66 122.53 1jhl s GLN 6 Ca -0.12 -1.17 -0.12 0.00 0.02 0.00 0.00 55.36 53.96 1jhl s GLN 6 Cb -0.15 -2.60 0.13 0.00 1.00 0.00 0.00 33.01 31.39 1jhl s GLN 6 CO 0.02 -0.66 1.14 -1.54 -2.12 0.00 0.00 175.29 172.13 1jhl s SER 7 N -4.48 3.70 1.09 5.90 1.04 -0.84 -4.95 113.70 115.15 1jhl s SER 7 Ca 0.58 0.94 -0.17 0.00 0.48 0.00 0.00 55.95 57.79 1jhl s SER 7 Cb -0.09 -1.50 0.24 0.00 0.10 0.00 0.00 66.02 64.77 1jhl s SER 7 CO 0.37 -2.43 1.16 -0.83 0.98 0.00 0.00 173.24 172.49 1jhl s GLY 8 N -4.12 1.63 0.60 7.32 0.00 -1.26 -4.58 107.32 106.91 1jhl s GLY 8 Ca 0.63 -0.90 -0.18 0.00 0.00 0.00 0.00 44.72 44.28 1jhl s GLY 8 CO 0.53 -0.11 1.13 0.00 0.00 0.00 0.00 173.10 174.65 1jhl s ALA 9 N -3.25 2.58 -0.01 3.20 0.00 -1.26 -4.75 121.76 118.26 1jhl s ALA 9 Ca 0.70 0.74 0.06 0.00 0.00 0.00 0.00 51.96 53.46 1jhl s ALA 9 Cb -0.10 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1jhl s ALA 9 CO 0.55 -1.03 -0.19 -1.21 0.00 0.00 0.00 175.76 173.87 1jhl s GLU 10 N -3.61 1.54 -0.10 0.00 0.41 -0.36 -5.02 118.70 111.55 1jhl s GLU 10 Ca 0.71 -0.71 0.02 0.00 -0.41 0.00 0.00 54.97 54.58 1jhl s GLU 10 Cb -0.23 -1.50 0.01 0.00 -1.78 0.00 0.00 34.13 30.63 1jhl s GLU 10 CO 0.34 0.41 -0.15 -1.17 -0.49 0.00 0.00 175.26 174.19 1jhl s LEU 11 N -0.51 1.71 -0.01 1.80 2.96 -1.26 -0.03 118.68 123.34 1jhl s LEU 11 Ca 0.07 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1jhl s LEU 11 Cb -0.07 -1.06 -0.00 0.00 0.50 0.00 0.00 46.19 45.55 1jhl s LEU 11 CO -0.01 0.02 -0.07 0.54 -1.32 0.00 0.00 176.35 175.51 1jhl s VAL 12 N 0.94 0.58 0.29 1.68 0.11 0.33 -4.97 120.40 119.36 1jhl s VAL 12 Ca -0.08 -0.31 -0.29 0.00 -2.93 0.00 0.00 61.98 58.37 1jhl s VAL 12 Cb -0.15 -0.49 -0.10 0.00 -1.53 0.00 0.00 36.38 34.11 1jhl s VAL 12 CO -0.01 0.17 1.22 -0.13 -3.33 0.00 0.00 175.10 173.02 1jhl s ARG 13 N -0.14 4.48 0.16 1.54 0.52 -1.26 -4.05 118.95 120.20 1jhl s ARG 13 Ca 0.02 2.02 -0.32 0.00 -0.52 0.00 0.00 55.73 56.94 1jhl s ARG 13 Cb -0.03 -3.14 -0.17 0.00 0.52 0.00 0.00 34.95 32.13 1jhl s ARG 13 CO -0.00 -0.02 0.85 -2.30 0.02 0.00 0.00 175.30 173.85 1jhl n PRO 14 N 1.16 0.46 -0.83 3.54 -0.02 -1.26 -1.86 135.00 136.19 1jhl n PRO 14 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1jhl n PRO 14 Cb 0.43 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1jhl n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jhl n GLY 15 N 1.80 0.35 3.89 -1.23 0.00 -0.10 -4.97 105.19 104.93 1jhl n GLY 15 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1jhl n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhl s ALA 16 N -1.98 3.67 0.56 4.61 0.00 -0.77 -4.06 121.76 123.79 1jhl s ALA 16 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.41 1jhl s ALA 16 Cb 0.00 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 1jhl s ALA 16 CO 0.00 0.55 0.96 -1.12 0.00 0.00 0.00 175.76 176.15 1jhl s SER 17 N -2.50 6.33 -0.03 0.00 0.01 -1.26 -3.98 113.70 112.27 1jhl s SER 17 Ca 0.44 1.35 0.01 0.00 1.31 0.00 0.00 55.95 59.05 1jhl s SER 17 Cb -0.11 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 63.71 1jhl s SER 17 CO 0.24 -0.73 -0.01 0.54 0.41 0.00 0.00 173.24 173.69 1jhl s VAL 18 N -2.94 0.21 -0.32 3.43 0.11 -0.88 -4.99 120.40 115.02 1jhl s VAL 18 Ca 0.54 0.05 -0.09 0.00 -2.93 0.00 0.00 61.98 59.56 1jhl s VAL 18 Cb -0.11 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.46 1jhl s VAL 18 CO 0.46 0.14 0.14 -0.75 -3.33 0.00 0.00 175.10 171.77 1jhl s LYS 19 N 0.93 3.16 0.36 1.54 2.20 -1.26 -2.02 119.74 124.65 1jhl s LYS 19 Ca -0.10 -0.83 -0.07 0.00 -0.36 0.00 0.00 55.97 54.61 1jhl s LYS 19 Cb -0.13 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 1jhl s LYS 19 CO -0.01 -0.48 0.67 -0.51 -0.36 0.00 0.00 175.35 174.65 1jhl s LEU 20 N 1.56 3.92 0.12 5.43 1.43 0.12 -4.90 118.68 126.36 1jhl s LEU 20 Ca 0.03 0.90 0.04 0.00 -1.03 0.00 0.00 54.13 54.07 1jhl s LEU 20 Cb -0.17 -3.76 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 1jhl s LEU 20 CO 0.05 -0.32 -0.09 -0.94 0.23 0.00 0.00 176.35 175.28 1jhl s SER 21 N -3.27 1.52 -0.37 2.29 1.04 -1.26 -1.20 113.70 112.44 1jhl s SER 21 Ca 0.47 -0.93 0.06 0.00 0.48 0.00 0.00 55.95 56.03 1jhl s SER 21 Cb -0.10 0.02 0.17 0.00 0.10 0.00 0.00 66.02 66.21 1jhl s SER 21 CO 0.32 -0.33 0.53 0.00 0.98 0.00 0.00 173.24 174.74 1jhl s LYS 23 N 1.90 4.15 0.01 0.00 2.36 -0.54 -1.63 119.74 125.98 1jhl s LYS 23 Ca 0.15 2.00 -0.08 0.00 -2.55 0.00 0.00 55.97 55.48 1jhl s LYS 23 Cb -0.09 -3.94 -0.05 0.00 -1.05 0.00 0.00 37.83 32.70 1jhl s LYS 23 CO -0.10 -0.87 0.30 0.00 1.55 0.00 0.00 175.35 176.23 1jhl s ALA 24 N 4.05 3.81 0.35 3.13 0.00 -0.11 -1.72 121.76 131.26 1jhl s ALA 24 Ca 0.69 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 1jhl s ALA 24 Cb -0.29 -2.14 0.01 0.00 0.00 0.00 0.00 23.12 20.70 1jhl s ALA 24 CO 0.26 0.61 0.51 -1.54 0.00 0.00 0.00 175.76 175.60 1jhl s SER 25 N -1.57 0.86 0.00 0.00 1.04 0.92 -4.91 113.70 110.05 1jhl s SER 25 Ca 0.27 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1jhl s SER 25 Cb -0.14 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1jhl s SER 25 CO 0.15 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.63 1jhl n GLY 26 N -0.57 1.63 3.73 7.32 0.00 -1.22 -1.55 105.19 114.52 1jhl n GLY 26 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1jhl n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jhl s TYR 27 N -3.34 0.32 -0.79 1.61 1.13 -1.26 -4.25 117.35 110.77 1jhl s TYR 27 Ca 0.00 -0.87 -0.20 0.00 -1.41 0.00 0.00 57.07 54.59 1jhl s TYR 27 Cb 0.00 0.61 0.11 0.00 -1.10 0.00 0.00 41.96 41.58 1jhl s TYR 27 CO 0.00 -1.44 1.00 -0.08 -2.51 0.00 0.00 175.55 172.52 1jhl s THR 28 N -2.62 4.64 0.32 -3.49 -1.32 -1.26 -4.92 115.64 107.00 1jhl s THR 28 Ca 0.19 -1.12 0.07 0.00 -1.21 0.00 0.00 61.69 59.61 1jhl s THR 28 Cb -0.04 -4.69 0.39 0.00 -1.51 0.00 0.00 72.50 66.65 1jhl s THR 28 CO 0.13 -1.42 1.58 0.15 -2.21 0.00 0.00 174.62 172.85 1jhl h PHE 29 N 9.09 0.19 0.00 9.09 3.57 -1.96 -2.13 116.94 134.79 1jhl h PHE 29 Ca -0.06 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1jhl h PHE 29 Cb 1.05 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1jhl h PHE 29 CO 1.05 -0.44 0.00 0.44 -2.23 0.00 0.00 178.31 177.13 1jhl n ILE 30 N -5.42 0.93 0.60 1.41 -5.35 -1.26 -2.23 119.36 108.04 1jhl n ILE 30 Ca 0.27 0.40 0.12 0.00 -0.27 0.00 0.00 62.75 63.27 1jhl n ILE 30 Cb 0.89 -1.35 0.26 0.00 -1.74 0.00 0.00 39.64 37.70 1jhl n ILE 30 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1jhl n SER 31 N -2.20 0.74 -4.47 7.28 7.64 -0.80 -2.34 113.62 119.47 1jhl n SER 31 Ca 0.01 0.28 -0.29 0.00 1.01 0.00 0.00 58.87 59.89 1jhl n SER 31 Cb 0.16 -0.19 -0.11 0.00 -1.01 0.00 0.00 64.21 63.06 1jhl n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1jhl s TYR 32 N -3.14 2.48 0.15 1.43 1.51 -0.95 -5.02 117.35 113.81 1jhl s TYR 32 Ca 0.08 -0.29 -0.27 0.00 -1.01 0.00 0.00 57.07 55.57 1jhl s TYR 32 Cb 0.13 -1.29 -0.07 0.00 -0.11 0.00 0.00 41.96 40.61 1jhl s TYR 32 CO 0.68 0.41 0.86 -1.58 -1.11 0.00 0.00 175.55 174.80 1jhl s TRP 33 N -1.28 3.87 -0.01 2.71 0.52 -1.26 -4.28 118.94 119.22 1jhl s TRP 33 Ca 0.19 1.71 0.00 0.00 0.02 0.00 0.00 56.10 58.02 1jhl s TRP 33 Cb -0.10 -2.89 -0.04 0.00 -1.15 0.00 0.00 33.47 29.29 1jhl s TRP 33 CO 0.10 0.39 0.03 0.42 0.02 0.00 0.00 176.95 177.91 1jhl s ILE 34 N -0.69 4.38 0.41 2.03 -1.09 -0.74 -0.67 121.20 124.83 1jhl s ILE 34 Ca 0.40 -0.50 0.07 0.00 -2.23 0.00 0.00 60.65 58.39 1jhl s ILE 34 Cb -0.23 -2.96 -0.08 0.00 -1.58 0.00 0.00 42.46 37.61 1jhl s ILE 34 CO 0.28 0.39 0.01 0.20 -1.23 0.00 0.00 174.94 174.59 1jhl s ASN 35 N -1.55 3.84 -0.03 3.58 0.01 -0.79 -1.58 114.94 118.42 1jhl s ASN 35 Ca 0.20 -1.39 0.01 0.00 -0.71 0.00 0.00 52.86 50.97 1jhl s ASN 35 Cb -0.12 -0.34 0.02 0.00 0.41 0.00 0.00 41.25 41.22 1jhl s ASN 35 CO 0.11 -0.48 -0.04 0.26 -1.51 0.00 0.00 177.10 175.44 1jhl s TRP 36 N -2.74 0.62 0.17 2.20 0.52 -0.42 -2.96 118.94 116.34 1jhl s TRP 36 Ca 0.33 -0.14 0.11 0.00 0.02 0.00 0.00 56.10 56.42 1jhl s TRP 36 Cb 0.09 -0.55 -0.04 0.00 -1.15 0.00 0.00 33.47 31.82 1jhl s TRP 36 CO 0.17 -0.14 -0.24 0.08 0.02 0.00 0.00 176.95 176.84 1jhl s VAL 37 N 0.73 2.21 0.03 4.03 1.01 0.36 0.03 120.40 128.80 1jhl s VAL 37 Ca -0.09 -1.92 0.02 0.00 0.00 0.00 0.00 61.98 59.99 1jhl s VAL 37 Cb -0.12 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1jhl s VAL 37 CO -0.00 -0.09 -0.06 -1.59 0.00 0.00 0.00 175.10 173.35 1jhl s LYS 38 N -2.49 0.47 -0.09 2.72 -2.85 -0.60 -0.35 119.74 116.55 1jhl s LYS 38 Ca 0.17 -0.60 -0.05 0.00 -1.00 0.00 0.00 55.97 54.50 1jhl s LYS 38 Cb -0.08 -0.27 0.04 0.00 -2.06 0.00 0.00 37.83 35.46 1jhl s LYS 38 CO 0.08 0.05 0.20 1.14 0.10 0.00 0.00 175.35 176.93 1jhl s GLN 39 N -1.20 0.18 0.26 1.78 1.03 -0.72 -1.80 119.66 119.19 1jhl s GLN 39 Ca -0.08 0.41 0.08 0.00 0.04 0.00 0.00 55.36 55.82 1jhl s GLN 39 Cb -0.08 -0.07 -0.04 0.00 0.03 0.00 0.00 33.01 32.85 1jhl s GLN 39 CO 0.00 -0.13 0.10 -0.98 -2.54 0.00 0.00 175.29 171.74 1jhl s ARG 40 N 0.92 2.61 0.04 9.60 1.70 -1.26 -1.33 118.95 131.23 1jhl s ARG 40 Ca -0.07 -1.22 -0.30 0.00 -0.47 0.00 0.00 55.73 53.66 1jhl s ARG 40 Cb -0.08 -2.37 -0.05 0.00 -0.57 0.00 0.00 34.95 31.88 1jhl s ARG 40 CO -0.05 0.39 1.14 -2.14 -1.08 0.00 0.00 175.30 173.55 1jhl s PRO 41 N -3.73 4.46 0.00 3.89 0.02 -1.26 -3.31 135.00 135.08 1jhl s PRO 41 Ca 0.32 1.66 0.00 0.00 0.02 0.00 0.00 61.00 63.00 1jhl s PRO 41 Cb -0.07 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 31.06 1jhl s PRO 41 CO 0.22 -0.21 0.00 0.41 -0.33 0.00 0.00 177.00 177.09 1jhl n GLY 42 N 3.14 3.00 3.92 0.52 0.00 -1.26 -5.02 105.19 109.49 1jhl n GLY 42 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1jhl n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jhl s GLN 43 N -0.07 2.74 0.00 1.61 1.11 -1.21 -5.10 119.66 118.74 1jhl s GLN 43 Ca 0.00 0.00 0.00 0.00 0.01 0.00 0.00 55.36 55.37 1jhl s GLN 43 Cb 0.00 -2.21 0.00 0.00 -1.01 0.00 0.00 33.01 29.79 1jhl s GLN 43 CO 0.00 -0.88 0.00 0.41 0.01 0.00 0.00 175.29 174.83 1jhl n GLY 44 N -2.73 1.02 3.90 3.09 0.00 -1.26 -4.70 105.19 104.51 1jhl n GLY 44 Ca 0.06 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 1jhl n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jhl s LEU 45 N 0.00 4.35 -0.04 0.99 2.01 -1.26 -4.45 118.68 120.28 1jhl s LEU 45 Ca 0.00 0.43 0.06 0.00 0.01 0.00 0.00 54.13 54.64 1jhl s LEU 45 Cb 0.00 -2.83 -0.01 0.00 0.01 0.00 0.00 46.19 43.35 1jhl s LEU 45 CO 0.00 0.20 -0.23 -1.61 1.01 0.00 0.00 176.35 175.72 1jhl s GLU 46 N -2.15 2.19 -0.12 1.70 2.02 -0.75 -4.98 118.70 116.62 1jhl s GLU 46 Ca 0.32 -0.84 -0.20 0.00 0.02 0.00 0.00 54.97 54.27 1jhl s GLU 46 Cb -0.13 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 1jhl s GLU 46 CO 0.21 0.41 0.54 -0.46 0.02 0.00 0.00 175.26 175.98 1jhl s TRP 47 N -0.28 3.51 -0.06 1.61 -0.00 -1.26 -1.56 118.94 120.89 1jhl s TRP 47 Ca 0.01 0.96 -0.21 0.00 -0.00 0.00 0.00 56.10 56.87 1jhl s TRP 47 Cb -0.12 -2.63 -0.16 0.00 -0.00 0.00 0.00 33.47 30.56 1jhl s TRP 47 CO 0.02 0.11 0.82 0.82 -0.00 0.00 0.00 176.95 178.71 1jhl h ILE 48 N 4.79 0.92 0.00 5.86 5.03 -0.75 -3.41 117.51 129.95 1jhl h ILE 48 Ca -0.40 -1.26 0.00 0.00 -0.12 0.00 0.00 64.86 63.08 1jhl h ILE 48 Cb 1.18 1.58 0.00 0.00 -3.03 0.00 0.00 36.82 36.55 1jhl h ILE 48 CO 0.76 0.25 0.00 0.61 -0.68 0.00 0.00 178.15 179.09 1jhl n GLY 49 N 0.78 -1.86 3.21 5.37 0.00 -1.22 -0.48 105.19 111.00 1jhl n GLY 49 Ca -0.07 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 1jhl n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jhl s ASN 50 N -2.31 0.34 0.01 1.61 2.20 -0.32 -1.29 114.94 115.18 1jhl s ASN 50 Ca 0.00 -1.35 -0.04 0.00 -0.94 0.00 0.00 52.86 50.53 1jhl s ASN 50 Cb 0.00 0.33 -0.01 0.00 -2.00 0.00 0.00 41.25 39.57 1jhl s ASN 50 CO 0.00 -0.80 0.07 -0.51 -2.94 0.00 0.00 177.10 172.92 1jhl s ILE 51 N -4.07 0.09 -0.22 0.54 2.07 -0.62 -1.03 121.20 117.96 1jhl s ILE 51 Ca 0.36 -0.78 -0.06 0.00 -1.41 0.00 0.00 60.65 58.75 1jhl s ILE 51 Cb 0.07 -0.36 -0.03 0.00 0.13 0.00 0.00 42.46 42.27 1jhl s ILE 51 CO 0.10 -0.43 0.04 -0.47 -1.91 0.00 0.00 174.94 172.27 1jhl s TYR 52 N -1.42 3.07 0.22 3.50 5.04 0.54 -1.79 117.35 126.53 1jhl s TYR 52 Ca -0.15 -0.43 0.13 0.00 -2.44 0.00 0.00 57.07 54.18 1jhl s TYR 52 Cb -0.09 -2.16 0.41 0.00 0.35 0.00 0.00 41.96 40.48 1jhl s TYR 52 CO 0.01 -0.29 1.63 -1.35 -1.34 0.00 0.00 175.55 174.20 1jhl h PRO 53 N 7.84 0.00 0.00 4.97 0.11 -1.74 -0.86 132.00 142.32 1jhl h PRO 53 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1jhl h PRO 53 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jhl h PRO 53 CO 0.60 0.56 0.00 0.43 -0.21 0.00 0.00 178.00 179.38 1jhl n SER 54 N -3.69 0.00 0.00 -2.05 7.64 -0.99 -3.62 113.62 110.91 1jhl n SER 54 Ca -0.01 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1jhl n SER 54 Cb 0.60 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1jhl n SER 54 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1jhl n ASP 55 N -1.13 0.00 -1.85 6.43 5.75 -1.12 -4.98 116.55 119.65 1jhl n ASP 55 Ca 0.08 -1.00 -0.08 0.00 -0.01 0.00 0.00 54.79 53.78 1jhl n ASP 55 Cb 0.07 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 1jhl n ASP 55 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1jhl n SER 56 N 0.00 -2.43 -4.63 -1.12 7.64 -0.34 -4.89 113.62 107.85 1jhl n SER 56 Ca 0.00 0.25 -0.43 0.00 1.01 0.00 0.00 58.87 59.70 1jhl n SER 56 Cb 0.42 -2.28 -0.03 0.00 -1.01 0.00 0.00 64.21 61.32 1jhl n SER 56 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1jhl s TYR 57 N -2.02 1.95 -0.13 1.43 5.04 -1.19 -4.75 117.35 117.68 1jhl s TYR 57 Ca 0.00 0.44 -0.00 0.00 -2.44 0.00 0.00 57.07 55.07 1jhl s TYR 57 Cb 0.00 -3.99 -0.01 0.00 0.35 0.00 0.00 41.96 38.30 1jhl s TYR 57 CO 0.00 -3.30 -0.13 0.99 -1.34 0.00 0.00 175.55 171.77 1jhl s THR 58 N 5.33 3.00 -0.18 4.34 2.01 -1.26 -0.34 115.64 128.55 1jhl s THR 58 Ca 0.75 -0.68 -0.03 0.00 0.31 0.00 0.00 61.69 62.04 1jhl s THR 58 Cb -0.27 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 1jhl s THR 58 CO 0.31 0.52 -0.06 0.20 -0.69 0.00 0.00 174.62 174.90 1jhl s ASN 59 N 0.41 4.45 -0.13 3.53 -0.87 -0.20 -5.00 114.94 117.13 1jhl s ASN 59 Ca -0.10 -0.27 -0.01 0.00 -1.57 0.00 0.00 52.86 50.90 1jhl s ASN 59 Cb -0.16 -1.73 -0.02 0.00 -0.02 0.00 0.00 41.25 39.32 1jhl s ASN 59 CO 0.05 0.09 -0.11 -0.31 -2.57 0.00 0.00 177.10 174.25 1jhl s TYR 60 N 0.81 2.86 0.21 2.20 2.02 -1.26 -1.17 117.35 123.03 1jhl s TYR 60 Ca -0.02 -0.54 -0.32 0.00 -0.37 0.00 0.00 57.07 55.82 1jhl s TYR 60 Cb -0.15 -1.86 -0.12 0.00 -0.40 0.00 0.00 41.96 39.43 1jhl s TYR 60 CO 0.02 -0.15 1.70 -1.71 -1.57 0.00 0.00 175.55 173.83 1jhl n ASN 61 N 3.47 3.88 -0.08 2.29 2.85 0.37 -4.84 115.26 123.21 1jhl n ASN 61 Ca -0.18 1.07 0.25 0.00 -0.11 0.00 0.00 54.58 55.62 1jhl n ASN 61 Cb 0.53 -1.56 0.72 0.00 1.24 0.00 0.00 39.78 40.70 1jhl n ASN 61 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1jhl h GLN 62 N 6.47 0.00 -0.07 1.20 1.08 -1.94 -1.05 115.11 120.80 1jhl h GLN 62 Ca -0.44 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 56.63 1jhl h GLN 62 Cb 1.21 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 1jhl h GLN 62 CO 0.93 0.00 -0.54 -0.22 -0.95 0.00 0.00 178.83 178.06 1jhl h LYS 63 N 0.00 0.21 0.00 1.46 3.64 -1.95 -3.35 116.57 116.58 1jhl h LYS 63 Ca 0.34 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1jhl h LYS 63 Cb 1.52 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1jhl h LYS 63 CO -0.00 0.69 -1.73 1.19 -2.27 0.00 0.00 179.45 177.33 1jhl n PHE 64 N -3.92 0.10 0.21 1.91 3.72 -0.44 -4.64 117.46 114.41 1jhl n PHE 64 Ca -0.02 0.03 0.11 0.00 -0.05 0.00 0.00 57.45 57.52 1jhl n PHE 64 Cb 0.57 -0.47 0.60 0.00 -0.94 0.00 0.00 39.48 39.23 1jhl n PHE 64 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1jhl h LYS 65 N 0.00 0.00 0.00 -1.08 2.10 -1.59 -0.65 116.57 115.35 1jhl h LYS 65 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1jhl h LYS 65 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 1jhl h LYS 65 CO 0.00 0.00 -0.93 -0.25 -2.00 0.00 0.00 179.45 176.27 1jhl n ASP 66 N -2.37 0.65 0.00 7.07 8.00 -1.26 -4.60 116.55 124.04 1jhl n ASP 66 Ca -0.01 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.11 1jhl n ASP 66 Cb 0.21 0.75 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 1jhl n ASP 66 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jhl n LYS 67 N -1.78 0.87 -4.06 -1.24 5.02 -0.34 -5.01 118.16 111.61 1jhl n LYS 67 Ca 0.03 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.20 1jhl n LYS 67 Cb 0.40 -0.98 -0.11 0.00 -0.02 0.00 0.00 35.03 34.31 1jhl n LYS 67 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jhl s ALA 68 N -1.93 0.54 -0.12 7.82 0.00 -0.65 -3.33 121.76 124.09 1jhl s ALA 68 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1jhl s ALA 68 Cb 0.00 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1jhl s ALA 68 CO 0.00 -0.08 -0.14 0.99 0.00 0.00 0.00 175.76 176.53 1jhl s THR 69 N -1.72 1.47 -0.22 0.00 2.01 -0.64 -4.74 115.64 111.80 1jhl s THR 69 Ca -0.08 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 1jhl s THR 69 Cb -0.08 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 1jhl s THR 69 CO -0.01 0.44 0.10 -0.76 -0.69 0.00 0.00 174.62 173.70 1jhl s LEU 70 N 1.25 3.81 0.01 4.42 1.02 -1.26 -0.66 118.68 127.26 1jhl s LEU 70 Ca -0.01 0.01 -0.08 0.00 0.02 0.00 0.00 54.13 54.07 1jhl s LEU 70 Cb -0.14 -2.00 0.00 0.00 0.02 0.00 0.00 46.19 44.08 1jhl s LEU 70 CO -0.06 0.08 0.16 -0.89 0.02 0.00 0.00 176.35 175.66 1jhl s THR 71 N 0.95 0.09 0.03 5.49 2.01 -0.96 -5.01 115.64 118.24 1jhl s THR 71 Ca 0.05 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.36 1jhl s THR 71 Cb -0.14 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 1jhl s THR 71 CO 0.03 -0.40 -0.10 0.54 -0.69 0.00 0.00 174.62 174.01 1jhl s VAL 72 N -1.60 0.73 -0.37 3.82 0.11 -1.26 0.75 120.40 122.58 1jhl s VAL 72 Ca -0.13 -0.86 -0.03 0.00 -2.93 0.00 0.00 61.98 58.03 1jhl s VAL 72 Cb -0.06 -0.70 0.09 0.00 -1.53 0.00 0.00 36.38 34.17 1jhl s VAL 72 CO 0.01 -0.12 0.14 -0.62 -3.33 0.00 0.00 175.10 171.18 1jhl s ASP 73 N -1.09 5.19 0.11 3.54 -1.08 -0.06 -4.98 116.67 118.30 1jhl s ASP 73 Ca -0.03 -1.72 -0.34 0.00 -0.52 0.00 0.00 52.55 49.94 1jhl s ASP 73 Cb -0.07 -1.81 -0.14 0.00 -1.46 0.00 0.00 42.92 39.44 1jhl s ASP 73 CO 0.01 -0.45 1.56 0.11 0.52 0.00 0.00 175.17 176.92 1jhl h LYS 74 N 8.07 -0.68 -0.76 4.34 1.57 -1.90 -0.87 116.57 126.34 1jhl h LYS 74 Ca -0.17 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1jhl h LYS 74 Cb 1.06 0.15 -0.11 0.00 0.08 0.00 0.00 32.23 33.41 1jhl h LYS 74 CO 0.65 -0.45 -0.38 0.43 -0.57 0.00 0.00 179.45 179.13 1jhl n SER 75 N -5.47 -0.66 -0.73 0.86 7.64 -1.26 -0.88 113.62 113.11 1jhl n SER 75 Ca -0.08 1.35 0.10 0.00 1.01 0.00 0.00 58.87 61.25 1jhl n SER 75 Cb 0.40 -0.24 0.29 0.00 -1.01 0.00 0.00 64.21 63.66 1jhl n SER 75 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1jhl n SER 76 N -5.04 2.17 -4.04 6.43 3.41 -1.20 -4.97 113.62 110.39 1jhl n SER 76 Ca 0.05 -1.84 -0.30 0.00 -0.26 0.00 0.00 58.87 56.51 1jhl n SER 76 Cb 0.25 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1jhl n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1jhl n SER 77 N 0.66 -2.04 -4.38 4.04 7.64 -0.06 -4.82 113.62 114.66 1jhl n SER 77 Ca 0.16 -0.97 -0.33 0.00 1.01 0.00 0.00 58.87 58.75 1jhl n SER 77 Cb 0.39 -3.10 -0.14 0.00 -1.01 0.00 0.00 64.21 60.34 1jhl n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jhl s THR 78 N -3.62 2.82 -0.02 0.44 2.01 -1.06 -0.94 115.64 115.28 1jhl s THR 78 Ca 0.36 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 1jhl s THR 78 Cb -0.19 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1jhl s THR 78 CO 0.89 0.56 0.16 0.00 -0.69 0.00 0.00 174.62 175.54 1jhl s ALA 79 N -0.08 3.88 0.12 7.40 0.00 -0.65 -0.88 121.76 131.54 1jhl s ALA 79 Ca -0.03 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.21 1jhl s ALA 79 Cb -0.14 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1jhl s ALA 79 CO 0.04 0.73 -0.15 0.71 0.00 0.00 0.00 175.76 177.09 1jhl s TYR 80 N -1.28 1.43 -0.09 0.00 2.02 0.23 -0.58 117.35 119.09 1jhl s TYR 80 Ca 0.25 -0.54 -0.04 0.00 -0.37 0.00 0.00 57.07 56.37 1jhl s TYR 80 Cb -0.12 -0.75 0.05 0.00 -0.40 0.00 0.00 41.96 40.73 1jhl s TYR 80 CO 0.17 0.15 0.20 1.41 -1.57 0.00 0.00 175.55 175.91 1jhl s MET 81 N -2.62 0.11 0.12 -0.62 -2.45 -0.34 -2.26 119.30 111.24 1jhl s MET 81 Ca 0.09 0.55 0.07 0.00 -1.25 0.00 0.00 55.69 55.15 1jhl s MET 81 Cb -0.05 -0.17 -0.04 0.00 1.25 0.00 0.00 34.83 35.82 1jhl s MET 81 CO 0.03 -0.24 -0.07 -1.14 1.05 0.00 0.00 175.02 174.65 1jhl s GLN 82 N 1.83 2.21 -0.15 4.11 0.74 0.17 0.13 119.66 128.69 1jhl s GLN 82 Ca -0.03 -1.05 0.02 0.00 0.05 0.00 0.00 55.36 54.35 1jhl s GLN 82 Cb -0.12 -2.32 0.00 0.00 1.10 0.00 0.00 33.01 31.68 1jhl s GLN 82 CO -0.07 0.49 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.46 1jhl s LEU 83 N -2.41 2.27 -0.13 3.68 1.43 -0.86 -1.62 118.68 121.05 1jhl s LEU 83 Ca 0.23 -0.54 -0.26 0.00 -1.03 0.00 0.00 54.13 52.53 1jhl s LEU 83 Cb -0.11 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1jhl s LEU 83 CO 0.15 0.08 0.85 -0.44 0.23 0.00 0.00 176.35 177.22 1jhl s SER 84 N 0.80 7.04 -0.38 2.29 0.01 -1.21 -2.07 113.70 120.18 1jhl s SER 84 Ca -0.07 1.27 -0.33 0.00 1.31 0.00 0.00 55.95 58.13 1jhl s SER 84 Cb -0.15 -2.47 0.05 0.00 0.21 0.00 0.00 66.02 63.65 1jhl s SER 84 CO -0.01 -0.34 0.56 -1.54 0.41 0.00 0.00 173.24 172.32 1jhl n SER 85 N 4.83 -4.78 -4.69 2.44 3.41 -1.26 -4.89 113.62 108.69 1jhl n SER 85 Ca 0.04 -0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.10 1jhl n SER 85 Cb 0.49 -1.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.04 1jhl n SER 85 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1jhl s PRO 86 N -2.08 4.24 0.33 4.33 0.02 -1.26 -4.72 135.00 135.86 1jhl s PRO 86 Ca 0.33 2.16 0.01 0.00 0.02 0.00 0.00 61.00 63.52 1jhl s PRO 86 Cb -0.03 -3.54 0.06 0.00 0.02 0.00 0.00 34.50 31.00 1jhl s PRO 86 CO 0.74 -0.64 0.45 0.25 -0.33 0.00 0.00 177.00 177.46 1jhl n THR 87 N 4.61 0.00 -0.25 0.99 -2.24 -1.26 -0.92 114.28 115.21 1jhl n THR 87 Ca 0.14 -0.79 0.05 0.00 -2.27 0.00 0.00 64.05 61.18 1jhl n THR 87 Cb 0.42 -1.05 0.28 0.00 -2.10 0.00 0.00 70.33 67.88 1jhl n THR 87 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1jhl h SER 88 N -0.20 0.82 -0.00 3.42 4.64 -1.97 -3.03 113.55 117.23 1jhl h SER 88 Ca -0.15 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 1jhl h SER 88 Cb 0.58 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1jhl h SER 88 CO 0.17 0.53 -0.04 1.05 -0.87 0.00 0.00 176.83 177.68 1jhl h GLU 89 N 0.93 0.12 0.00 4.77 4.11 -2.01 -2.99 114.58 119.51 1jhl h GLU 89 Ca 0.35 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.77 1jhl h GLU 89 Cb 0.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1jhl h GLU 89 CO -0.12 0.17 0.00 -0.25 0.07 0.00 0.00 179.01 178.88 1jhl n ASP 90 N -4.42 0.00 -4.63 3.06 8.00 -1.14 -4.57 116.55 112.84 1jhl n ASP 90 Ca -0.02 -0.38 -0.43 0.00 0.71 0.00 0.00 54.79 54.68 1jhl n ASP 90 Cb 0.16 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 1jhl n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1jhl s SER 91 N -2.13 6.63 0.00 -2.24 0.01 -1.13 -4.80 113.70 110.04 1jhl s SER 91 Ca 0.22 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.80 1jhl s SER 91 Cb 0.11 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1jhl s SER 91 CO 0.20 -1.10 0.00 0.00 0.41 0.00 0.00 173.24 172.75 1jhl n ALA 92 N 7.73 0.00 -2.96 1.44 0.00 -0.92 -4.87 120.51 120.94 1jhl n ALA 92 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.27 1jhl n ALA 92 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.76 1jhl n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jhl s VAL 93 N -2.71 2.75 -0.10 0.00 1.01 -0.44 -1.10 120.40 119.81 1jhl s VAL 93 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1jhl s VAL 93 Cb 0.00 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1jhl s VAL 93 CO 0.00 0.55 -0.15 -0.31 0.00 0.00 0.00 175.10 175.18 1jhl s TYR 94 N 0.10 2.73 -0.20 5.22 1.51 0.95 -1.75 117.35 125.91 1jhl s TYR 94 Ca -0.08 -0.54 -0.03 0.00 -1.01 0.00 0.00 57.07 55.41 1jhl s TYR 94 Cb -0.15 -1.75 -0.01 0.00 -0.11 0.00 0.00 41.96 39.94 1jhl s TYR 94 CO 0.05 -0.11 -0.06 0.71 -1.11 0.00 0.00 175.55 175.03 1jhl s TYR 95 N -0.01 2.93 -0.09 2.71 2.02 0.52 -1.33 117.35 124.11 1jhl s TYR 95 Ca -0.04 -0.85 -0.13 0.00 -0.37 0.00 0.00 57.07 55.67 1jhl s TYR 95 Cb -0.14 -2.04 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 1jhl s TYR 95 CO 0.04 -0.45 0.30 0.00 -1.57 0.00 0.00 175.55 173.87 1jhl s THR 97 N -0.41 0.48 0.04 0.00 -4.23 -1.15 -0.38 115.64 110.00 1jhl s THR 97 Ca 0.19 -0.95 -0.05 0.00 -1.18 0.00 0.00 61.69 59.70 1jhl s THR 97 Cb -0.14 -0.54 -0.05 0.00 1.34 0.00 0.00 72.50 73.11 1jhl s THR 97 CO 0.07 -0.33 0.27 -0.60 -0.54 0.00 0.00 174.62 173.50 1jhl s ARG 98 N -1.38 3.55 -0.04 3.99 3.52 -0.70 -1.89 118.95 126.00 1jhl s ARG 98 Ca -0.09 -0.17 -0.26 0.00 -0.13 0.00 0.00 55.73 55.08 1jhl s ARG 98 Cb -0.09 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.24 1jhl s ARG 98 CO 0.00 0.61 0.83 0.34 -0.81 0.00 0.00 175.30 176.27 1jhl s ASP 99 N -2.02 7.15 0.00 -2.12 -1.08 0.15 -2.49 116.67 116.27 1jhl s ASP 99 Ca 0.32 1.39 0.05 0.00 -0.52 0.00 0.00 52.55 53.79 1jhl s ASP 99 Cb -0.13 -2.48 0.26 0.00 -1.46 0.00 0.00 42.92 39.10 1jhl s ASP 99 CO 0.20 -0.20 1.01 -0.90 0.52 0.00 0.00 175.17 175.80 1jhl n ASP 100 N 3.94 0.00 0.00 -0.34 5.75 -0.10 -4.48 116.55 121.32 1jhl n ASP 100 Ca 0.02 0.22 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 1jhl n ASP 100 Cb 0.51 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1jhl n ASP 100 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1jhl n ASN 101 N -1.29 0.00 -0.09 -1.12 3.02 -1.26 -4.91 115.26 109.60 1jhl n ASN 101 Ca 0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.47 1jhl n ASN 101 Cb 0.04 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.06 1jhl n ASN 101 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1jhl n TYR 102 N -1.87 0.17 0.00 3.10 4.01 -1.26 -5.02 117.16 116.29 1jhl n TYR 102 Ca 0.00 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1jhl n TYR 102 Cb 0.00 -1.03 0.00 0.00 -0.31 0.00 0.00 39.34 38.00 1jhl n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jhl n GLY 103 N 1.73 1.36 3.96 2.72 0.00 -1.26 -5.12 105.19 108.58 1jhl n GLY 103 Ca -0.31 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 1jhl n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhl s ALA 104 N -1.69 3.67 -0.30 4.61 0.00 -1.26 -4.90 121.76 121.89 1jhl s ALA 104 Ca 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 1jhl s ALA 104 Cb 0.00 -2.24 0.04 0.00 0.00 0.00 0.00 23.12 20.92 1jhl s ALA 104 CO 0.00 -0.88 0.03 -1.64 0.00 0.00 0.00 175.76 173.27 1jhl s MET 105 N -4.89 2.62 0.04 0.00 -1.94 -1.26 -0.92 119.30 112.94 1jhl s MET 105 Ca 0.57 -1.15 0.17 0.00 -1.71 0.00 0.00 55.69 53.57 1jhl s MET 105 Cb -0.10 -3.25 -0.15 0.00 2.01 0.00 0.00 34.83 33.34 1jhl s MET 105 CO 0.40 -0.58 0.77 -0.40 -0.01 0.00 0.00 175.02 175.20 1jhl n ASP 106 N 4.71 0.80 -4.38 3.03 5.68 -1.04 -4.85 116.55 120.50 1jhl n ASP 106 Ca -0.14 0.35 -0.22 0.00 -0.50 0.00 0.00 54.79 54.28 1jhl n ASP 106 Cb 0.45 0.24 -0.11 0.00 -1.14 0.00 0.00 41.12 40.56 1jhl n ASP 106 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1jhl s TYR 107 N -2.91 1.98 0.13 2.11 2.02 -1.26 -5.01 117.35 114.41 1jhl s TYR 107 Ca -0.03 -0.44 0.04 0.00 -0.37 0.00 0.00 57.07 56.27 1jhl s TYR 107 Cb 0.09 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.66 1jhl s TYR 107 CO 0.82 0.45 -0.10 -0.46 -1.57 0.00 0.00 175.55 174.68 1jhl s TRP 108 N -2.25 1.20 0.74 2.71 -0.11 -1.26 -1.72 118.94 118.25 1jhl s TRP 108 Ca 0.21 -0.73 -0.03 0.00 1.22 0.00 0.00 56.10 56.77 1jhl s TRP 108 Cb -0.05 -0.63 0.13 0.00 -1.50 0.00 0.00 33.47 31.42 1jhl s TRP 108 CO 0.09 0.05 1.02 0.20 -4.62 0.00 0.00 176.95 173.69 1jhl s GLY 109 N -2.94 1.76 0.15 5.86 0.00 0.49 -4.40 107.32 108.25 1jhl s GLY 109 Ca 0.13 -1.59 -0.11 0.00 0.00 0.00 0.00 44.72 43.15 1jhl s GLY 109 CO 0.00 -1.03 1.52 0.06 0.00 0.00 0.00 173.10 173.66 1jhl h GLN 110 N -0.63 0.94 0.00 2.90 -0.00 -1.90 -3.46 115.11 112.96 1jhl h GLN 110 Ca -0.38 -0.42 0.00 0.00 -0.00 0.00 0.00 58.65 57.85 1jhl h GLN 110 Cb 1.27 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.72 1jhl h GLN 110 CO 0.42 1.08 0.00 0.41 -0.00 0.00 0.00 178.83 180.74 1jhl n GLY 111 N -0.06 3.41 2.85 0.06 0.00 -1.26 -5.05 105.19 105.13 1jhl n GLY 111 Ca -0.01 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 43.90 1jhl n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jhl s THR 112 N -2.58 0.79 -0.20 2.61 2.01 -0.44 -4.86 115.64 112.96 1jhl s THR 112 Ca 0.00 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 1jhl s THR 112 Cb 0.00 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.60 1jhl s THR 112 CO 0.00 0.25 1.07 -0.89 -0.69 0.00 0.00 174.62 174.36 1jhl s THR 113 N 1.79 4.63 -0.28 -0.82 2.01 -1.26 -0.04 115.64 121.69 1jhl s THR 113 Ca 0.04 1.96 -0.02 0.00 0.31 0.00 0.00 61.69 63.98 1jhl s THR 113 Cb -0.13 -4.27 0.04 0.00 0.01 0.00 0.00 72.50 68.15 1jhl s THR 113 CO -0.07 -0.15 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.99 1jhl s VAL 114 N 3.07 2.94 -0.43 3.82 1.01 -0.26 -1.22 120.40 129.33 1jhl s VAL 114 Ca 0.46 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 1jhl s VAL 114 Cb -0.16 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.66 1jhl s VAL 114 CO 0.09 0.03 0.33 -0.89 0.00 0.00 0.00 175.10 174.66 1jhl s THR 115 N 1.29 5.13 -2.38 3.92 2.01 0.95 -2.15 115.64 124.41 1jhl s THR 115 Ca -0.03 -0.88 0.29 0.00 0.31 0.00 0.00 61.69 61.38 1jhl s THR 115 Cb -0.18 -3.96 0.64 0.00 0.01 0.00 0.00 72.50 69.01 1jhl s THR 115 CO -0.03 -0.42 1.87 0.52 -0.69 0.00 0.00 174.62 175.87