#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jg2 h LYS 15 N 0.00 0.00 -0.14 3.44 2.10 -2.05 0.42 116.57 120.34 1jg2 h LYS 15 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1jg2 h LYS 15 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1jg2 h LYS 15 CO 0.00 0.01 -0.18 1.49 -2.00 0.00 0.00 179.45 178.76 1jg2 h GLU 16 N 0.00 0.37 -0.75 0.07 4.81 -2.05 -0.35 114.58 116.67 1jg2 h GLU 16 Ca -0.00 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 1jg2 h GLU 16 Cb 0.01 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1jg2 h GLU 16 CO 0.00 0.78 0.32 -0.07 -0.73 0.00 0.00 179.01 179.31 1jg2 h LEU 17 N -0.01 1.01 -0.73 1.64 3.38 -1.60 -2.24 115.31 116.76 1jg2 h LEU 17 Ca 0.02 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1jg2 h LEU 17 Cb 0.74 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1jg2 h LEU 17 CO 0.04 0.89 -0.29 0.22 0.09 0.00 0.00 178.44 179.39 1jg2 h TYR 18 N 1.08 0.75 -0.71 1.13 3.20 -0.88 -1.44 116.97 120.10 1jg2 h TYR 18 Ca 0.25 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 1jg2 h TYR 18 Cb 0.18 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 1jg2 h TYR 18 CO 0.02 0.87 0.20 0.93 -1.64 0.00 0.00 178.16 178.53 1jg2 h GLU 19 N 0.56 1.12 -0.41 1.82 5.08 -0.61 0.28 114.58 122.42 1jg2 h GLU 19 Ca 0.07 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.06 1jg2 h GLU 19 Cb 0.79 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1jg2 h GLU 19 CO 0.06 0.97 -0.20 0.87 -1.00 0.00 0.00 179.01 179.71 1jg2 h LYS 20 N 1.07 0.79 -0.45 2.33 1.57 -1.23 -2.60 116.57 118.05 1jg2 h LYS 20 Ca 0.23 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1jg2 h LYS 20 Cb 0.34 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1jg2 h LYS 20 CO -0.00 0.93 0.12 2.35 -0.57 0.00 0.00 179.45 182.28 1jg2 h TRP 21 N 0.70 0.75 -0.97 -1.35 2.91 -0.60 -2.26 115.95 115.12 1jg2 h TRP 21 Ca 0.10 -0.08 0.09 0.00 1.13 0.00 0.00 58.89 60.12 1jg2 h TRP 21 Cb 0.71 -0.21 -0.07 0.00 -0.51 0.00 0.00 29.16 29.08 1jg2 h TRP 21 CO 0.04 0.68 0.62 0.52 -1.03 0.00 0.00 178.44 179.27 1jg2 h MET 22 N 0.60 1.02 -0.72 2.65 2.86 -0.26 -0.13 114.93 120.95 1jg2 h MET 22 Ca 0.14 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1jg2 h MET 22 Cb 0.30 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1jg2 h MET 22 CO -0.00 0.68 0.20 -0.09 1.06 0.00 0.00 176.91 178.75 1jg2 h ARG 23 N 1.05 1.13 -0.70 1.72 1.12 -1.09 -0.24 114.38 117.38 1jg2 h ARG 23 Ca 0.44 -0.26 -0.07 0.00 -1.11 0.00 0.00 59.98 58.98 1jg2 h ARG 23 Cb 0.31 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 30.08 1jg2 h ARG 23 CO -0.20 0.98 0.14 1.15 -3.11 0.00 0.00 179.97 178.94 1jg2 h THR 24 N 1.08 1.26 -0.48 0.20 2.02 -0.53 -0.34 112.91 116.12 1jg2 h THR 24 Ca 0.23 -1.01 -0.12 0.00 0.77 0.00 0.00 66.41 66.28 1jg2 h THR 24 Cb 0.34 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1jg2 h THR 24 CO -0.00 0.38 -0.16 0.58 0.37 0.00 0.00 175.52 176.69 1jg2 h VAL 25 N 1.06 1.27 -0.74 3.16 2.07 -0.75 -0.93 116.25 121.39 1jg2 h VAL 25 Ca 0.22 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1jg2 h VAL 25 Cb 0.41 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1jg2 h VAL 25 CO 0.01 0.45 0.37 -0.33 0.02 0.00 0.00 177.57 178.09 1jg2 h GLU 26 N 0.82 1.06 -0.31 1.57 5.08 -0.79 -0.56 114.58 121.45 1jg2 h GLU 26 Ca 0.12 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1jg2 h GLU 26 Cb 0.73 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1jg2 h GLU 26 CO 0.06 0.82 0.16 1.98 -1.00 0.00 0.00 179.01 181.02 1jg2 h MET 27 N 1.03 0.45 -0.48 2.33 4.05 -0.82 0.19 114.93 121.68 1jg2 h MET 27 Ca 0.26 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.59 1jg2 h MET 27 Cb 0.10 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 1jg2 h MET 27 CO -0.03 0.41 0.19 -0.07 0.23 0.00 0.00 176.91 177.64 1jg2 h LEU 28 N 0.37 0.62 0.04 3.39 3.38 -0.80 -0.29 115.31 122.02 1jg2 h LEU 28 Ca 0.11 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jg2 h LEU 28 Cb 0.10 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1jg2 h LEU 28 CO -0.01 0.56 -0.02 0.50 0.09 0.00 0.00 178.44 179.55 1jg2 h LYS 29 N 0.68 -0.05 -0.69 1.13 3.64 -0.69 0.56 116.57 121.14 1jg2 h LYS 29 Ca 0.16 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1jg2 h LYS 29 Cb 0.13 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1jg2 h LYS 29 CO -0.02 0.49 0.46 0.00 -2.27 0.00 0.00 179.45 178.11 1jg2 h ALA 30 N 0.28 1.78 -0.21 5.00 0.00 -0.39 -1.65 119.26 124.07 1jg2 h ALA 30 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jg2 h ALA 30 Cb 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jg2 h ALA 30 CO 0.01 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.74 1jg2 n GLU 31 N -4.48 1.60 -1.05 0.00 -0.58 -0.14 -4.92 120.64 111.07 1jg2 n GLU 31 Ca 0.11 -0.92 -0.02 0.00 -0.42 0.00 0.00 57.16 55.91 1jg2 n GLU 31 Cb 0.27 -1.28 -0.01 0.00 -0.57 0.00 0.00 31.44 29.86 1jg2 n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jg2 n GLY 32 N 0.98 0.52 0.07 0.62 0.00 -0.62 -4.92 105.19 101.83 1jg2 n GLY 32 Ca 0.12 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 1jg2 n GLY 32 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jg2 h ILE 33 N 0.00 1.61 -3.52 -0.61 1.08 -1.14 -3.41 117.51 111.53 1jg2 h ILE 33 Ca -0.03 -2.26 -0.62 0.00 -0.39 0.00 0.00 64.86 61.56 1jg2 h ILE 33 Cb 0.24 3.10 -0.12 0.00 -3.07 0.00 0.00 36.82 36.96 1jg2 h ILE 33 CO 0.05 0.55 0.13 -0.63 -0.69 0.00 0.00 178.15 177.56 1jg2 s ILE 34 N -2.20 4.97 -0.46 -0.67 1.01 -0.65 -4.55 121.20 118.65 1jg2 s ILE 34 Ca -0.19 0.96 0.05 0.00 0.00 0.00 0.00 60.65 61.47 1jg2 s ILE 34 Cb -0.02 -3.95 -0.00 0.00 0.01 0.00 0.00 42.46 38.50 1jg2 s ILE 34 CO 0.64 -0.05 0.45 0.54 0.00 0.00 0.00 174.94 176.53 1jg2 n ARG 35 N 5.77 2.39 -4.25 2.79 1.74 -1.26 -4.38 116.66 119.45 1jg2 n ARG 35 Ca -0.01 -0.44 -0.18 0.00 -0.77 0.00 0.00 57.85 56.45 1jg2 n ARG 35 Cb 0.49 -0.93 -0.11 0.00 -1.02 0.00 0.00 32.46 30.89 1jg2 n ARG 35 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jg2 s SER 36 N -0.90 2.01 0.37 0.55 1.04 -1.26 -5.02 113.70 110.48 1jg2 s SER 36 Ca 0.04 -0.83 0.15 0.00 0.48 0.00 0.00 55.95 55.79 1jg2 s SER 36 Cb 0.04 -0.07 0.71 0.00 0.10 0.00 0.00 66.02 66.80 1jg2 s SER 36 CO 0.12 -0.16 1.78 0.07 0.98 0.00 0.00 173.24 176.04 1jg2 h LYS 37 N 3.43 0.00 -0.17 4.02 2.10 -1.98 -2.10 116.57 121.86 1jg2 h LYS 37 Ca -0.40 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.25 1jg2 h LYS 37 Cb 1.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1jg2 h LYS 37 CO 0.52 0.40 0.07 0.93 -2.00 0.00 0.00 179.45 179.37 1jg2 h GLU 38 N 0.00 0.25 -0.23 0.07 3.07 -1.98 0.13 114.58 115.89 1jg2 h GLU 38 Ca -0.00 -0.05 -0.15 0.00 -0.50 0.00 0.00 59.36 58.66 1jg2 h GLU 38 Cb 0.77 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 1jg2 h GLU 38 CO 0.05 0.33 -0.46 0.28 -1.40 0.00 0.00 179.01 177.81 1jg2 h VAL 39 N 0.12 1.31 -0.30 3.13 2.07 -1.96 -1.98 116.25 118.64 1jg2 h VAL 39 Ca 0.06 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 1jg2 h VAL 39 Cb 0.17 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1jg2 h VAL 39 CO -0.00 0.52 0.19 -0.08 0.02 0.00 0.00 177.57 178.22 1jg2 h GLU 40 N 0.47 0.41 -0.88 1.57 4.81 -1.18 -1.53 114.58 118.25 1jg2 h GLU 40 Ca 0.03 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1jg2 h GLU 40 Cb 0.99 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 1jg2 h GLU 40 CO 0.09 0.30 0.46 0.00 -0.73 0.00 0.00 179.01 179.14 1jg2 h ARG 41 N 0.40 1.24 -0.27 1.92 3.08 -0.59 -1.75 114.38 118.42 1jg2 h ARG 41 Ca 0.11 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1jg2 h ARG 41 Cb -0.01 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1jg2 h ARG 41 CO -0.02 0.92 0.07 0.00 -1.07 0.00 0.00 179.97 179.88 1jg2 h ALA 42 N 1.26 0.35 -0.93 0.04 0.00 -1.05 -1.66 119.26 117.27 1jg2 h ALA 42 Ca 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jg2 h ALA 42 Cb 0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1jg2 h ALA 42 CO -0.05 -0.01 0.60 0.74 0.00 0.00 0.00 179.25 180.54 1jg2 h PHE 43 N 0.26 1.19 0.00 0.00 -1.00 -1.07 -1.28 116.94 115.05 1jg2 h PHE 43 Ca 0.08 0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.79 1jg2 h PHE 43 Cb 0.26 -0.40 -0.01 0.00 3.61 0.00 0.00 35.95 39.41 1jg2 h PHE 43 CO 0.01 0.76 -0.42 -0.07 -1.61 0.00 0.00 178.31 176.98 1jg2 h LEU 44 N 1.27 0.00 0.17 1.54 3.38 -1.15 -3.17 115.31 117.35 1jg2 h LEU 44 Ca 0.34 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 58.01 1jg2 h LEU 44 Cb -0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1jg2 h LEU 44 CO -0.07 0.42 -1.39 0.50 0.09 0.00 0.00 178.44 177.99 1jg2 h LYS 45 N 0.00 0.36 -3.18 1.13 3.64 -0.79 -3.41 116.57 114.32 1jg2 h LYS 45 Ca -0.00 -0.62 -0.63 0.00 -1.27 0.00 0.00 60.65 58.13 1jg2 h LYS 45 Cb 0.88 0.23 -0.41 0.00 -0.41 0.00 0.00 32.23 32.52 1jg2 h LYS 45 CO 0.05 1.28 -0.67 0.71 -2.27 0.00 0.00 179.45 178.55 1jg2 s TYR 46 N -2.63 2.74 0.57 1.91 2.02 -0.53 -5.11 117.35 116.33 1jg2 s TYR 46 Ca -0.07 -2.91 -0.20 0.00 -0.37 0.00 0.00 57.07 53.53 1jg2 s TYR 46 Cb 0.06 -2.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.15 1jg2 s TYR 46 CO 0.90 -0.74 1.21 -2.14 -1.57 0.00 0.00 175.55 173.21 1jg2 s PRO 47 N -0.19 3.13 0.55 -1.71 0.02 -1.23 -4.72 135.00 130.85 1jg2 s PRO 47 Ca 0.19 1.83 0.28 0.00 0.02 0.00 0.00 61.00 63.32 1jg2 s PRO 47 Cb -0.22 -2.03 1.58 0.00 0.02 0.00 0.00 34.50 33.85 1jg2 s PRO 47 CO -0.02 -1.08 2.14 -0.09 -0.33 0.00 0.00 177.00 177.61 1jg2 h ARG 48 N 1.12 0.00 0.00 5.54 2.43 -1.87 -2.64 114.38 118.96 1jg2 h ARG 48 Ca -0.50 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1jg2 h ARG 48 Cb 1.29 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1jg2 h ARG 48 CO 0.56 0.08 -0.01 0.10 -1.51 0.00 0.00 179.97 179.19 1jg2 h TYR 49 N 0.00 0.00 0.00 2.20 -0.00 -1.89 -0.49 116.97 116.79 1jg2 h TYR 49 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1jg2 h TYR 49 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.94 1jg2 h TYR 49 CO 0.00 0.01 0.00 -0.07 -0.00 0.00 0.00 178.16 178.10 1jg2 h LEU 50 N 0.00 0.00 -1.68 0.10 3.38 -1.85 -3.25 115.31 112.02 1jg2 h LEU 50 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jg2 h LEU 50 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1jg2 h LEU 50 CO 0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 1jg2 n SER 51 N -2.48 2.28 -4.60 -0.43 7.64 -0.19 -4.88 113.62 110.95 1jg2 n SER 51 Ca 0.03 -1.63 -0.24 0.00 1.01 0.00 0.00 58.87 58.04 1jg2 n SER 51 Cb 0.31 -0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.40 1jg2 n SER 51 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1jg2 s VAL 52 N -1.17 3.00 0.75 0.44 -7.23 -1.22 -4.79 120.40 110.18 1jg2 s VAL 52 Ca 0.18 -2.05 -0.14 0.00 -1.81 0.00 0.00 61.98 58.16 1jg2 s VAL 52 Cb 0.12 -2.70 0.05 0.00 0.56 0.00 0.00 36.38 34.41 1jg2 s VAL 52 CO 0.18 -0.33 1.19 -1.61 -0.31 0.00 0.00 175.10 174.21 1jg2 s GLU 53 N -3.65 2.05 0.28 4.82 2.02 -1.26 -4.76 118.70 118.20 1jg2 s GLU 53 Ca 0.32 1.69 0.01 0.00 0.02 0.00 0.00 54.97 57.01 1jg2 s GLU 53 Cb -0.04 -1.83 0.67 0.00 0.10 0.00 0.00 34.13 33.02 1jg2 s GLU 53 CO 0.19 -1.89 1.68 -0.44 0.02 0.00 0.00 175.26 174.81 1jg2 h ASP 54 N -0.50 0.15 0.25 -0.19 3.32 -1.99 -0.75 116.42 116.71 1jg2 h ASP 54 Ca -0.47 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1jg2 h ASP 54 Cb 1.29 0.19 0.00 0.00 0.22 0.00 0.00 39.33 41.03 1jg2 h ASP 54 CO 0.49 -0.06 0.00 2.29 -1.72 0.00 0.00 179.24 180.24 1jg2 n LYS 55 N -5.13 0.12 0.00 3.56 2.85 -1.26 -2.41 118.16 115.89 1jg2 n LYS 55 Ca 0.20 0.52 0.05 0.00 -1.05 0.00 0.00 58.31 58.03 1jg2 n LYS 55 Cb 0.62 -1.83 -0.00 0.00 -0.65 0.00 0.00 35.03 33.17 1jg2 n LYS 55 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1jg2 n TYR 56 N -2.08 0.00 -0.09 5.58 4.01 -0.30 -4.61 117.16 119.68 1jg2 n TYR 56 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.85 1jg2 n TYR 56 Cb 0.10 0.00 0.47 0.00 -0.31 0.00 0.00 39.34 39.60 1jg2 n TYR 56 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jg2 h LYS 57 N 1.03 0.46 0.00 -0.72 1.57 -1.31 -0.79 116.57 116.80 1jg2 h LYS 57 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1jg2 h LYS 57 Cb 0.32 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1jg2 h LYS 57 CO 0.00 0.30 0.00 1.57 -0.57 0.00 0.00 179.45 180.75 1jg2 h LYS 58 N 0.47 0.00 -0.01 3.15 2.10 -1.81 -2.33 116.57 118.14 1jg2 h LYS 58 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1jg2 h LYS 58 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1jg2 h LYS 58 CO -0.08 0.00 -0.04 0.66 -2.00 0.00 0.00 179.45 177.99 1jg2 n TYR 59 N -2.43 0.00 0.06 0.07 4.01 -0.33 -4.71 117.16 113.83 1jg2 n TYR 59 Ca -0.01 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 57.94 1jg2 n TYR 59 Cb 0.11 0.00 0.74 0.00 -0.31 0.00 0.00 39.34 39.88 1jg2 n TYR 59 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jg2 h ALA 60 N 1.48 2.26 0.00 -0.72 0.00 -1.11 -0.67 119.26 120.50 1jg2 h ALA 60 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jg2 h ALA 60 Cb 0.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jg2 h ALA 60 CO 0.00 -0.63 -0.22 1.12 0.00 0.00 0.00 179.25 179.52 1jg2 h HIS 61 N 0.00 0.00 -3.57 0.00 2.07 -1.84 -3.44 115.15 108.37 1jg2 h HIS 61 Ca 0.21 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.22 1jg2 h HIS 61 Cb 1.01 0.00 0.03 0.00 2.57 0.00 0.00 27.41 31.02 1jg2 h HIS 61 CO 0.00 0.00 0.59 0.42 -3.07 0.00 0.00 177.93 175.87 1jg2 s ILE 62 N -3.22 3.27 -1.33 6.12 -1.09 -0.26 -4.79 121.20 119.90 1jg2 s ILE 62 Ca 0.06 1.13 -0.17 0.00 -2.23 0.00 0.00 60.65 59.44 1jg2 s ILE 62 Cb 0.07 -3.72 0.03 0.00 -1.58 0.00 0.00 42.46 37.26 1jg2 s ILE 62 CO 0.69 0.21 1.99 -0.67 -1.23 0.00 0.00 174.94 175.92 1jg2 n ASP 63 N 2.04 4.16 -3.75 3.58 -0.08 -1.26 -4.72 116.55 116.51 1jg2 n ASP 63 Ca 0.03 -2.85 -0.11 0.00 -1.51 0.00 0.00 54.79 50.36 1jg2 n ASP 63 Cb 0.43 -1.66 -0.07 0.00 2.34 0.00 0.00 41.12 42.17 1jg2 n ASP 63 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1jg2 s GLU 64 N 3.95 0.88 0.60 -0.67 -1.05 -1.26 -4.85 118.70 116.30 1jg2 s GLU 64 Ca 0.52 -0.67 -0.15 0.00 -0.15 0.00 0.00 54.97 54.52 1jg2 s GLU 64 Cb 0.09 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 34.12 1jg2 s GLU 64 CO 0.01 -0.30 1.05 -1.25 0.95 0.00 0.00 175.26 175.71 1jg2 s PRO 65 N -3.18 3.36 0.10 -4.83 0.04 -1.26 -4.12 135.00 125.11 1jg2 s PRO 65 Ca -0.01 1.12 0.04 0.00 0.04 0.00 0.00 61.00 62.19 1jg2 s PRO 65 Cb 0.01 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1jg2 s PRO 65 CO -0.07 -0.77 -0.11 -0.51 0.04 0.00 0.00 177.00 175.58 1jg2 s LEU 66 N -4.62 2.41 0.46 -3.56 1.43 -0.37 -4.92 118.68 109.51 1jg2 s LEU 66 Ca 0.62 -0.82 -0.20 0.00 -1.03 0.00 0.00 54.13 52.70 1jg2 s LEU 66 Cb -0.15 -0.34 -0.10 0.00 0.03 0.00 0.00 46.19 45.63 1jg2 s LEU 66 CO 0.39 -0.25 0.97 -2.84 0.23 0.00 0.00 176.35 174.86 1jg2 s PRO 67 N -2.79 4.07 0.33 1.29 0.02 -1.26 -0.27 135.00 136.38 1jg2 s PRO 67 Ca 0.06 1.12 0.03 0.00 0.02 0.00 0.00 61.00 62.23 1jg2 s PRO 67 Cb -0.03 -2.15 -0.04 0.00 0.02 0.00 0.00 34.50 32.30 1jg2 s PRO 67 CO 0.01 -0.17 0.12 0.96 -0.33 0.00 0.00 177.00 177.59 1jg2 s ILE 68 N -2.27 0.58 1.13 2.83 -4.36 -0.79 -4.75 121.20 113.58 1jg2 s ILE 68 Ca 0.62 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.87 1jg2 s ILE 68 Cb -0.10 -2.54 0.23 0.00 1.25 0.00 0.00 42.46 41.29 1jg2 s ILE 68 CO 0.19 0.00 0.80 -2.65 0.24 0.00 0.00 174.94 173.52 1jg2 n PRO 69 N -0.66 -1.99 -2.29 0.37 -0.02 -1.26 -3.62 135.00 125.53 1jg2 n PRO 69 Ca -0.01 -0.55 -0.20 0.00 -2.02 0.00 0.00 63.50 60.71 1jg2 n PRO 69 Cb 0.65 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 1jg2 n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jg2 n ALA 70 N -4.74 -0.59 -1.15 3.55 0.00 -1.26 -2.63 120.51 113.70 1jg2 n ALA 70 Ca 0.04 0.19 -0.05 0.00 0.00 0.00 0.00 53.44 53.61 1jg2 n ALA 70 Cb 0.55 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.84 1jg2 n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jg2 n GLY 71 N -0.92 0.73 1.62 0.00 0.00 -1.25 -5.02 105.19 100.34 1jg2 n GLY 71 Ca -0.24 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 1jg2 n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jg2 n GLN 72 N -2.06 0.89 -3.92 1.61 1.13 -1.08 -4.98 117.38 108.97 1jg2 n GLN 72 Ca -0.05 -1.32 -0.08 0.00 -1.94 0.00 0.00 57.00 53.60 1jg2 n GLN 72 Cb 0.27 -0.06 -0.08 0.00 0.11 0.00 0.00 30.24 30.48 1jg2 n GLN 72 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1jg2 s THR 73 N -0.61 0.16 -0.19 5.09 -4.23 -1.26 -1.88 115.64 112.73 1jg2 s THR 73 Ca 0.23 -1.34 -0.06 0.00 -1.18 0.00 0.00 61.69 59.34 1jg2 s THR 73 Cb -0.02 -1.40 -0.03 0.00 1.34 0.00 0.00 72.50 72.39 1jg2 s THR 73 CO 0.15 -0.72 0.03 0.54 -0.54 0.00 0.00 174.62 174.08 1jg2 s VAL 74 N -3.88 4.38 0.93 2.29 0.11 0.62 -4.84 120.40 120.02 1jg2 s VAL 74 Ca 0.06 -0.17 -0.10 0.00 -2.93 0.00 0.00 61.98 58.83 1jg2 s VAL 74 Cb 0.06 -2.98 0.16 0.00 -1.53 0.00 0.00 36.38 32.08 1jg2 s VAL 74 CO -0.10 0.44 1.13 -0.44 -3.33 0.00 0.00 175.10 172.80 1jg2 s SER 75 N 0.67 2.79 0.40 3.54 0.01 -1.26 -1.24 113.70 118.62 1jg2 s SER 75 Ca 0.02 2.10 -0.26 0.00 1.31 0.00 0.00 55.95 59.11 1jg2 s SER 75 Cb -0.14 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.47 1jg2 s SER 75 CO 0.02 -3.17 1.30 0.00 0.41 0.00 0.00 173.24 171.80 1jg2 s ALA 76 N -2.65 3.26 0.29 1.44 0.00 -1.26 -4.68 121.76 118.16 1jg2 s ALA 76 Ca 0.67 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.88 1jg2 s ALA 76 Cb -0.23 -3.48 0.72 0.00 0.00 0.00 0.00 23.12 20.13 1jg2 s ALA 76 CO 0.59 -0.81 1.67 -1.35 0.00 0.00 0.00 175.76 175.85 1jg2 h PRO 77 N 2.69 0.29 -0.32 0.00 0.11 -1.84 0.17 132.00 133.10 1jg2 h PRO 77 Ca -0.50 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1jg2 h PRO 77 Cb 1.25 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1jg2 h PRO 77 CO 0.63 0.19 0.03 1.12 -0.21 0.00 0.00 178.00 179.75 1jg2 h HIS 78 N 0.30 0.49 -0.27 0.65 2.07 -1.91 -1.00 115.15 115.49 1jg2 h HIS 78 Ca 0.56 -0.04 -0.18 0.00 -2.85 0.00 0.00 60.37 57.86 1jg2 h HIS 78 Cb 1.10 -0.15 -0.00 0.00 2.57 0.00 0.00 27.41 30.93 1jg2 h HIS 78 CO -0.19 0.47 -0.55 1.98 -3.07 0.00 0.00 177.93 176.57 1jg2 h MET 79 N 0.47 0.81 -0.64 5.12 -1.53 -1.34 -0.62 114.93 117.21 1jg2 h MET 79 Ca 0.11 -0.52 -0.05 0.00 -3.44 0.00 0.00 59.70 55.80 1jg2 h MET 79 Cb 0.27 0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 31.35 1jg2 h MET 79 CO 0.00 1.15 0.21 0.28 0.14 0.00 0.00 176.91 178.69 1jg2 h VAL 80 N 0.62 1.25 -0.14 -5.77 2.07 -1.06 -2.01 116.25 111.22 1jg2 h VAL 80 Ca 0.01 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1jg2 h VAL 80 Cb 1.15 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1jg2 h VAL 80 CO 0.12 0.32 0.05 0.00 0.02 0.00 0.00 177.57 178.08 1jg2 h ALA 81 N 1.08 0.18 -0.47 1.67 0.00 -1.06 -1.80 119.26 118.86 1jg2 h ALA 81 Ca 0.21 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1jg2 h ALA 81 Cb 0.28 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1jg2 h ALA 81 CO -0.01 -0.22 0.03 0.82 0.00 0.00 0.00 179.25 179.87 1jg2 h ILE 82 N 0.05 0.67 -0.34 0.00 1.08 -0.94 -0.25 117.51 117.77 1jg2 h ILE 82 Ca 0.04 -0.05 -0.11 0.00 -0.39 0.00 0.00 64.86 64.36 1jg2 h ILE 82 Cb 0.20 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 1jg2 h ILE 82 CO -0.00 0.03 -0.23 0.24 -0.69 0.00 0.00 178.15 177.50 1jg2 h MET 83 N 0.15 0.67 -0.40 2.37 2.86 -1.24 -1.63 114.93 117.71 1jg2 h MET 83 Ca 0.23 -0.26 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 1jg2 h MET 83 Cb 0.34 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1jg2 h MET 83 CO -0.36 0.84 -0.27 -0.07 1.06 0.00 0.00 176.91 178.11 1jg2 h LEU 84 N 0.59 0.87 -0.64 1.22 3.38 -0.73 -2.24 115.31 117.75 1jg2 h LEU 84 Ca 0.08 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 1jg2 h LEU 84 Cb 0.70 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1jg2 h LEU 84 CO 0.05 1.09 -0.00 -0.33 0.09 0.00 0.00 178.44 179.33 1jg2 h GLU 85 N 0.72 1.05 -0.52 1.13 4.39 -0.84 -2.16 114.58 118.35 1jg2 h GLU 85 Ca 0.09 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.42 1jg2 h GLU 85 Cb 0.82 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1jg2 h GLU 85 CO 0.07 1.03 0.18 0.82 -1.16 0.00 0.00 179.01 179.96 1jg2 h ILE 86 N 0.96 1.20 0.00 3.13 1.08 -1.19 -2.34 117.51 120.35 1jg2 h ILE 86 Ca 0.17 -0.64 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 1jg2 h ILE 86 Cb 0.56 0.61 -0.00 0.00 -3.07 0.00 0.00 36.82 34.91 1jg2 h ILE 86 CO 0.03 0.25 -0.09 0.00 -0.69 0.00 0.00 178.15 177.65 1jg2 h ALA 87 N 1.46 1.50 -6.55 1.87 0.00 -0.77 -3.46 119.26 113.30 1jg2 h ALA 87 Ca 0.18 -0.08 -0.51 0.00 0.00 0.00 0.00 54.91 54.50 1jg2 h ALA 87 Cb 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1jg2 h ALA 87 CO -0.01 0.11 -0.94 -1.71 0.00 0.00 0.00 179.25 176.70 1jg2 n ASN 88 N -3.91 -2.38 -4.77 0.00 5.15 -0.88 -4.88 115.26 103.59 1jg2 n ASN 88 Ca -0.02 -1.09 -0.38 0.00 -0.60 0.00 0.00 54.58 52.49 1jg2 n ASN 88 Cb 0.18 -2.75 -0.01 0.00 -0.53 0.00 0.00 39.78 36.67 1jg2 n ASN 88 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jg2 s LEU 89 N -6.95 4.06 0.08 1.20 1.43 -1.26 -5.06 118.68 112.18 1jg2 s LEU 89 Ca 0.23 2.40 0.04 0.00 -1.03 0.00 0.00 54.13 55.77 1jg2 s LEU 89 Cb -0.10 -4.15 -0.03 0.00 0.03 0.00 0.00 46.19 41.94 1jg2 s LEU 89 CO 0.91 -0.92 -0.10 -0.54 0.23 0.00 0.00 176.35 175.93 1jg2 s LYS 90 N -2.57 0.76 0.43 1.70 -0.14 -1.26 -4.98 119.74 113.69 1jg2 s LYS 90 Ca 0.62 -1.02 -0.25 0.00 -1.36 0.00 0.00 55.97 53.96 1jg2 s LYS 90 Cb -0.31 -0.53 -0.09 0.00 -1.68 0.00 0.00 37.83 35.21 1jg2 s LYS 90 CO 0.39 0.09 1.23 -2.30 -0.76 0.00 0.00 175.35 174.00 1jg2 n PRO 91 N 0.91 1.80 0.00 -1.68 -0.02 -1.24 -2.49 135.00 132.28 1jg2 n PRO 91 Ca -0.19 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1jg2 n PRO 91 Cb 0.56 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1jg2 n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jg2 n GLY 92 N 0.88 2.62 3.74 -1.23 0.00 0.97 -5.00 105.19 107.17 1jg2 n GLY 92 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1jg2 n GLY 92 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jg2 s MET 93 N -0.50 2.49 -0.43 1.61 -1.94 -1.04 -4.98 119.30 114.51 1jg2 s MET 93 Ca 0.00 1.79 -0.12 0.00 -1.71 0.00 0.00 55.69 55.65 1jg2 s MET 93 Cb 0.00 -1.87 0.06 0.00 2.01 0.00 0.00 34.83 35.03 1jg2 s MET 93 CO 0.00 -1.57 0.30 1.21 -0.01 0.00 0.00 175.02 174.95 1jg2 s ASN 94 N -1.86 5.87 -0.06 3.03 2.47 -1.26 -4.88 114.94 118.25 1jg2 s ASN 94 Ca 0.76 -1.31 0.01 0.00 0.42 0.00 0.00 52.86 52.74 1jg2 s ASN 94 Cb -0.30 -2.08 -0.03 0.00 -1.45 0.00 0.00 41.25 37.39 1jg2 s ASN 94 CO 0.41 -0.54 -0.06 -0.63 -3.72 0.00 0.00 177.10 172.55 1jg2 s ILE 95 N 1.54 3.77 -0.13 -5.21 -1.09 -1.26 -0.72 121.20 118.09 1jg2 s ILE 95 Ca 0.03 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.00 1jg2 s ILE 95 Cb -0.22 -2.55 0.01 0.00 -1.58 0.00 0.00 42.46 38.11 1jg2 s ILE 95 CO 0.05 0.58 -0.22 -0.22 -1.23 0.00 0.00 174.94 173.90 1jg2 s LEU 96 N -0.87 2.12 -0.11 2.97 2.96 -0.97 -2.20 118.68 122.57 1jg2 s LEU 96 Ca 0.13 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1jg2 s LEU 96 Cb -0.11 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 1jg2 s LEU 96 CO 0.02 0.10 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.42 1jg2 s GLU 97 N 0.72 3.19 -0.30 1.98 2.12 0.50 -1.10 118.70 125.80 1jg2 s GLU 97 Ca -0.09 -0.48 -0.05 0.00 0.36 0.00 0.00 54.97 54.71 1jg2 s GLU 97 Cb -0.16 -2.79 0.03 0.00 0.26 0.00 0.00 34.13 31.47 1jg2 s GLU 97 CO 0.00 0.52 0.05 0.08 -0.54 0.00 0.00 175.26 175.37 1jg2 s VAL 98 N -0.39 3.48 0.00 3.70 1.01 0.39 -1.31 120.40 127.28 1jg2 s VAL 98 Ca 0.07 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1jg2 s VAL 98 Cb -0.12 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1jg2 s VAL 98 CO 0.02 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1jg2 n GLY 99 N 4.75 0.76 0.15 4.51 0.00 0.14 -1.05 105.19 114.46 1jg2 n GLY 99 Ca -0.14 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 1jg2 n GLY 99 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jg2 h THR 100 N 0.00 1.12 0.00 2.61 2.02 -1.66 -3.43 112.91 113.57 1jg2 h THR 100 Ca 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1jg2 h THR 100 Cb 0.00 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1jg2 h THR 100 CO 0.00 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.62 1jg2 n GLY 101 N -1.01 3.32 0.12 2.16 0.00 -1.26 -1.51 105.19 107.01 1jg2 n GLY 101 Ca -0.02 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1jg2 n GLY 101 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jg2 h SER 102 N 0.00 0.00 0.00 1.61 4.64 -1.88 -3.37 113.55 114.55 1jg2 h SER 102 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1jg2 h SER 102 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jg2 h SER 102 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1jg2 n GLY 103 N 1.26 0.95 0.29 -0.77 0.00 -0.57 -4.35 105.19 102.02 1jg2 n GLY 103 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1jg2 n GLY 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1jg2 h TRP 104 N 0.00 -0.69 -0.88 1.61 7.01 -1.91 -1.62 115.95 119.48 1jg2 h TRP 104 Ca 0.00 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.04 1jg2 h TRP 104 Cb 0.00 0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 27.27 1jg2 h TRP 104 CO 0.00 -0.38 0.56 -0.97 -2.79 0.00 0.00 178.44 174.86 1jg2 h ASN 105 N -0.57 0.92 -0.71 2.65 -1.24 -1.93 -1.59 115.58 113.11 1jg2 h ASN 105 Ca -0.01 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 1jg2 h ASN 105 Cb 0.51 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.33 1jg2 h ASN 105 CO -0.04 0.63 0.40 0.00 -1.29 0.00 0.00 177.43 177.13 1jg2 h ALA 106 N 1.37 0.91 -0.38 1.57 0.00 -1.84 -0.26 119.26 120.63 1jg2 h ALA 106 Ca 0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jg2 h ALA 106 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1jg2 h ALA 106 CO -0.13 0.41 0.24 0.00 0.00 0.00 0.00 179.25 179.77 1jg2 h ALA 107 N 1.20 0.48 -0.28 0.00 0.00 -0.63 -0.46 119.26 119.57 1jg2 h ALA 107 Ca 0.25 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1jg2 h ALA 107 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1jg2 h ALA 107 CO -0.04 -0.04 0.15 -0.07 0.00 0.00 0.00 179.25 179.25 1jg2 h LEU 108 N 0.50 0.23 -0.53 0.00 3.38 -0.82 -1.74 115.31 116.33 1jg2 h LEU 108 Ca 0.14 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1jg2 h LEU 108 Cb -0.02 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1jg2 h LEU 108 CO -0.03 0.17 0.30 0.40 0.09 0.00 0.00 178.44 179.37 1jg2 h ILE 109 N 0.31 1.00 -0.68 1.22 2.04 -0.71 -2.26 117.51 118.44 1jg2 h ILE 109 Ca 0.11 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1jg2 h ILE 109 Cb 0.02 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 1jg2 h ILE 109 CO -0.07 0.11 0.44 0.77 0.00 0.00 0.00 178.15 179.40 1jg2 h SER 110 N 0.58 0.78 0.31 1.72 4.64 -0.62 -0.67 113.55 120.30 1jg2 h SER 110 Ca 0.23 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.46 1jg2 h SER 110 Cb 0.09 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1jg2 h SER 110 CO -0.13 0.58 -0.29 -0.08 -0.87 0.00 0.00 176.83 176.04 1jg2 h GLU 111 N 0.92 0.00 0.12 4.77 4.57 -0.75 -1.61 114.58 122.61 1jg2 h GLU 111 Ca 0.25 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.22 1jg2 h GLU 111 Cb -0.09 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1jg2 h GLU 111 CO -0.05 0.29 -0.99 0.82 -1.18 0.00 0.00 179.01 177.89 1jg2 h ILE 112 N 0.00 1.34 -0.00 2.32 2.04 -0.95 -3.37 117.51 118.89 1jg2 h ILE 112 Ca -0.00 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.39 1jg2 h ILE 112 Cb 0.52 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 1jg2 h ILE 112 CO 0.04 0.69 -0.28 1.33 0.00 0.00 0.00 178.15 179.93 1jg2 n VAL 113 N -4.10 0.00 -2.55 1.67 0.24 -0.37 -3.73 118.33 109.49 1jg2 n VAL 113 Ca -0.18 -0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.96 1jg2 n VAL 113 Cb 0.82 -0.08 -0.00 0.00 -1.47 0.00 0.00 33.84 33.11 1jg2 n VAL 113 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1jg2 n LYS 114 N -1.49 -2.39 -1.80 7.34 4.76 -0.61 -0.02 118.16 123.95 1jg2 n LYS 114 Ca 0.06 0.68 -0.02 0.00 -2.87 0.00 0.00 58.31 56.15 1jg2 n LYS 114 Cb 0.34 -5.31 0.00 0.00 -1.84 0.00 0.00 35.03 28.21 1jg2 n LYS 114 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1jg2 n THR 115 N -3.61 0.00 -1.89 -0.18 5.66 -1.26 -4.78 114.28 108.22 1jg2 n THR 115 Ca -0.15 -0.28 -0.42 0.00 -3.05 0.00 0.00 64.05 60.15 1jg2 n THR 115 Cb 0.62 0.21 -0.02 0.00 -1.55 0.00 0.00 70.33 69.59 1jg2 n THR 115 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1jg2 s ASP 116 N -1.43 6.52 -0.06 1.09 1.01 -1.26 -4.80 116.67 117.74 1jg2 s ASP 116 Ca 0.05 2.75 0.05 0.00 0.71 0.00 0.00 52.55 56.11 1jg2 s ASP 116 Cb -0.01 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 1jg2 s ASP 116 CO 0.03 -0.83 -0.23 -0.69 0.21 0.00 0.00 175.17 173.66 1jg2 s VAL 117 N 0.54 1.92 -0.17 -1.27 1.01 0.11 -4.55 120.40 117.99 1jg2 s VAL 117 Ca 0.66 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 1jg2 s VAL 117 Cb -0.45 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1jg2 s VAL 117 CO 0.39 0.53 -0.01 -0.31 0.00 0.00 0.00 175.10 175.70 1jg2 s TYR 118 N -0.05 3.08 -0.02 5.22 2.02 -0.93 -0.57 117.35 126.09 1jg2 s TYR 118 Ca -0.06 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 1jg2 s TYR 118 Cb -0.14 -2.00 0.01 0.00 -0.40 0.00 0.00 41.96 39.43 1jg2 s TYR 118 CO 0.04 -0.02 -0.05 -0.08 -1.57 0.00 0.00 175.55 173.88 1jg2 s THR 119 N 0.43 0.44 -0.08 -0.71 -1.32 -0.43 -0.37 115.64 113.60 1jg2 s THR 119 Ca -0.02 -0.17 0.01 0.00 -1.21 0.00 0.00 61.69 60.30 1jg2 s THR 119 Cb -0.14 -0.42 -0.03 0.00 -1.51 0.00 0.00 72.50 70.40 1jg2 s THR 119 CO 0.02 0.16 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.87 1jg2 s ILE 120 N 0.32 3.47 -0.03 5.08 1.01 -0.43 -0.52 121.20 130.11 1jg2 s ILE 120 Ca -0.04 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1jg2 s ILE 120 Cb -0.07 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.99 1jg2 s ILE 120 CO -0.00 0.57 -0.01 -0.70 0.00 0.00 0.00 174.94 174.80 1jg2 s GLU 121 N -0.50 0.38 0.27 2.79 2.56 -0.44 0.28 118.70 124.04 1jg2 s GLU 121 Ca 0.07 0.00 0.23 0.00 0.00 0.00 0.00 54.97 55.28 1jg2 s GLU 121 Cb -0.12 -0.49 0.23 0.00 2.00 0.00 0.00 34.13 35.75 1jg2 s GLU 121 CO 0.02 -0.08 1.33 0.07 -0.56 0.00 0.00 175.26 176.04 1jg2 h ARG 122 N 6.98 0.00 -5.08 4.30 0.11 -1.82 -1.23 114.38 117.65 1jg2 h ARG 122 Ca -0.39 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.05 1jg2 h ARG 122 Cb 1.15 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 32.07 1jg2 h ARG 122 CO 0.48 0.00 -0.26 0.42 0.10 0.00 0.00 179.97 180.72 1jg2 s ILE 123 N -3.26 5.17 0.24 0.08 1.01 -1.26 -4.71 121.20 118.47 1jg2 s ILE 123 Ca 0.04 0.37 -0.05 0.00 0.00 0.00 0.00 60.65 61.01 1jg2 s ILE 123 Cb 0.09 -3.74 0.21 0.00 0.01 0.00 0.00 42.46 39.03 1jg2 s ILE 123 CO 0.72 0.06 1.74 -0.65 0.00 0.00 0.00 174.94 176.81 1jg2 h PRO 124 N 8.30 0.46 -0.84 2.79 0.11 -2.00 -1.49 132.00 139.32 1jg2 h PRO 124 Ca -0.31 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.84 1jg2 h PRO 124 Cb 1.16 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 1jg2 h PRO 124 CO 0.66 0.30 0.55 1.49 -0.21 0.00 0.00 178.00 180.79 1jg2 h GLU 125 N 0.47 0.90 0.00 1.05 4.81 -1.99 -1.64 114.58 118.18 1jg2 h GLU 125 Ca 0.40 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.42 1jg2 h GLU 125 Cb 0.58 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1jg2 h GLU 125 CO -0.38 0.60 -0.73 -0.07 -0.73 0.00 0.00 179.01 177.70 1jg2 h LEU 126 N 0.93 0.00 -0.51 1.64 3.38 -1.64 -1.31 115.31 117.79 1jg2 h LEU 126 Ca 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 1jg2 h LEU 126 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1jg2 h LEU 126 CO -0.13 0.73 0.24 0.58 0.09 0.00 0.00 178.44 179.96 1jg2 h VAL 127 N 0.00 1.20 -0.23 1.22 2.07 -0.46 0.14 116.25 120.18 1jg2 h VAL 127 Ca -0.01 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1jg2 h VAL 127 Cb 1.50 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1jg2 h VAL 127 CO 0.10 0.22 0.03 -0.33 0.02 0.00 0.00 177.57 177.60 1jg2 h GLU 128 N 0.68 0.39 -0.18 1.57 4.39 -1.31 -1.43 114.58 118.69 1jg2 h GLU 128 Ca 0.17 -0.11 0.04 0.00 0.34 0.00 0.00 59.36 59.80 1jg2 h GLU 128 Cb 0.12 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1jg2 h GLU 128 CO -0.02 0.54 -0.04 0.35 -1.16 0.00 0.00 179.01 178.68 1jg2 h PHE 129 N 0.18 -0.08 -0.13 4.33 3.57 -0.94 -0.74 116.94 123.13 1jg2 h PHE 129 Ca 0.07 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1jg2 h PHE 129 Cb 0.35 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1jg2 h PHE 129 CO 0.03 -0.07 0.07 0.00 -2.23 0.00 0.00 178.31 176.11 1jg2 h ALA 130 N 1.18 0.17 -0.85 2.41 0.00 -0.70 -1.41 119.26 120.07 1jg2 h ALA 130 Ca 0.09 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1jg2 h ALA 130 Cb 0.13 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1jg2 h ALA 130 CO -0.18 -0.28 0.51 0.87 0.00 0.00 0.00 179.25 180.16 1jg2 h LYS 131 N 0.11 0.86 -0.39 0.00 1.57 -1.01 0.57 116.57 118.27 1jg2 h LYS 131 Ca 0.05 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1jg2 h LYS 131 Cb 0.09 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1jg2 h LYS 131 CO -0.01 0.57 0.07 0.00 -0.57 0.00 0.00 179.45 179.51 1jg2 h ARG 132 N 0.88 0.64 -0.57 3.15 2.47 -0.90 -0.38 114.38 119.68 1jg2 h ARG 132 Ca 0.39 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 1jg2 h ARG 132 Cb 0.28 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 1jg2 h ARG 132 CO -0.21 0.69 0.31 -0.91 0.56 0.00 0.00 179.97 180.42 1jg2 h ASN 133 N 0.49 0.71 -0.24 7.04 2.35 -0.54 -0.48 115.58 124.92 1jg2 h ASN 133 Ca 0.12 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1jg2 h ASN 133 Cb 0.36 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1jg2 h ASN 133 CO 0.01 0.60 0.07 -0.07 -1.65 0.00 0.00 177.43 176.39 1jg2 h LEU 134 N 0.77 0.35 -0.52 1.61 3.38 -0.77 -1.77 115.31 118.35 1jg2 h LEU 134 Ca 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jg2 h LEU 134 Cb 0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1jg2 h LEU 134 CO -0.03 0.46 0.28 -0.08 0.09 0.00 0.00 178.44 179.15 1jg2 h GLU 135 N 0.22 0.74 -0.37 1.13 4.81 -0.89 -0.93 114.58 119.28 1jg2 h GLU 135 Ca 0.08 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1jg2 h GLU 135 Cb 0.24 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1jg2 h GLU 135 CO -0.00 0.58 0.19 -0.09 -0.73 0.00 0.00 179.01 178.96 1jg2 h ARG 136 N 0.70 0.51 -0.02 1.92 2.43 -0.94 -1.49 114.38 117.48 1jg2 h ARG 136 Ca 0.18 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1jg2 h ARG 136 Cb 0.07 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1jg2 h ARG 136 CO -0.03 0.39 0.00 0.00 -1.51 0.00 0.00 179.97 178.82 1jg2 n ALA 137 N -2.48 2.61 -1.03 2.80 0.00 -0.68 -4.92 120.51 116.82 1jg2 n ALA 137 Ca 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 53.44 53.11 1jg2 n ALA 137 Cb 0.10 -1.30 -0.00 0.00 0.00 0.00 0.00 19.45 18.25 1jg2 n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jg2 n GLY 138 N 1.09 0.49 3.74 0.00 0.00 -0.56 -5.02 105.19 104.92 1jg2 n GLY 138 Ca 0.20 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 1jg2 n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jg2 s VAL 139 N -2.01 4.22 0.00 1.61 1.01 -0.41 -4.94 120.40 119.88 1jg2 s VAL 139 Ca 0.00 2.06 0.00 0.00 0.00 0.00 0.00 61.98 64.04 1jg2 s VAL 139 Cb 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1jg2 s VAL 139 CO 0.00 0.42 0.00 1.17 0.00 0.00 0.00 175.10 176.69 1jg2 n LYS 140 N 2.01 2.46 0.00 2.72 3.00 -1.26 -4.44 118.16 122.64 1jg2 n LYS 140 Ca -0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.46 1jg2 n LYS 140 Cb 0.48 -0.86 0.77 0.00 0.00 0.00 0.00 35.03 35.41 1jg2 n LYS 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1jg2 n ASN 141 N -1.41 0.01 -4.71 3.14 5.03 -1.26 -4.79 115.26 111.27 1jg2 n ASN 141 Ca 0.00 -0.19 -0.38 0.00 0.87 0.00 0.00 54.58 54.88 1jg2 n ASN 141 Cb 0.23 -0.27 -0.06 0.00 -1.02 0.00 0.00 39.78 38.66 1jg2 n ASN 141 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1jg2 s VAL 142 N -2.54 5.18 -0.27 2.41 1.01 -1.26 -0.71 120.40 124.22 1jg2 s VAL 142 Ca 0.29 0.91 -0.00 0.00 0.00 0.00 0.00 61.98 63.18 1jg2 s VAL 142 Cb 0.20 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.83 1jg2 s VAL 142 CO 0.46 0.30 -0.06 -1.00 0.00 0.00 0.00 175.10 174.80 1jg2 s HIS 143 N 0.84 3.19 -0.20 5.22 3.76 0.27 -4.95 115.29 123.42 1jg2 s HIS 143 Ca 0.24 -1.92 -0.17 0.00 -0.15 0.00 0.00 55.06 53.06 1jg2 s HIS 143 Cb -0.15 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 1jg2 s HIS 143 CO 0.09 -0.81 0.44 0.08 -0.85 0.00 0.00 174.74 173.70 1jg2 s VAL 144 N 1.23 5.17 -0.08 -0.90 1.01 -1.26 -1.32 120.40 124.25 1jg2 s VAL 144 Ca -0.04 0.81 0.04 0.00 0.00 0.00 0.00 61.98 62.78 1jg2 s VAL 144 Cb -0.19 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1jg2 s VAL 144 CO -0.04 0.23 -0.21 -0.63 0.00 0.00 0.00 175.10 174.45 1jg2 s ILE 145 N 1.37 2.36 -0.19 2.22 1.09 0.32 -4.99 121.20 123.39 1jg2 s ILE 145 Ca 0.21 -0.94 -0.26 0.00 -1.10 0.00 0.00 60.65 58.56 1jg2 s ILE 145 Cb -0.15 -1.90 -0.01 0.00 -1.06 0.00 0.00 42.46 39.34 1jg2 s ILE 145 CO 0.09 0.56 0.87 -0.22 -0.10 0.00 0.00 174.94 176.14 1jg2 s LEU 146 N -0.06 4.15 0.00 2.97 2.96 -1.26 -1.33 118.68 126.11 1jg2 s LEU 146 Ca -0.06 1.18 0.00 0.00 -0.22 0.00 0.00 54.13 55.04 1jg2 s LEU 146 Cb -0.14 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.27 1jg2 s LEU 146 CO 0.05 -0.46 0.00 0.61 -1.32 0.00 0.00 176.35 175.22 1jg2 n GLY 147 N 3.49 -1.64 3.36 7.98 0.00 -0.46 -4.93 105.19 112.99 1jg2 n GLY 147 Ca 0.06 -1.09 -0.45 0.00 0.00 0.00 0.00 46.02 44.53 1jg2 n GLY 147 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jg2 s ASP 148 N -2.27 6.31 0.00 1.61 2.15 -1.26 -2.79 116.67 120.41 1jg2 s ASP 148 Ca 0.00 -1.75 0.13 0.00 0.43 0.00 0.00 52.55 51.36 1jg2 s ASP 148 Cb 0.00 -2.28 0.61 0.00 -0.30 0.00 0.00 42.92 40.95 1jg2 s ASP 148 CO 0.00 -0.98 1.39 0.61 -0.17 0.00 0.00 175.17 176.02 1jg2 n GLY 149 N 5.10 -0.86 0.07 2.66 0.00 -1.26 -2.25 105.19 108.66 1jg2 n GLY 149 Ca -0.04 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.02 1jg2 n GLY 149 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jg2 n SER 150 N -1.41 0.37 -1.13 1.61 3.41 -1.26 -0.37 113.62 114.83 1jg2 n SER 150 Ca 0.04 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 1jg2 n SER 150 Cb 0.13 -0.67 0.25 0.00 -0.26 0.00 0.00 64.21 63.66 1jg2 n SER 150 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jg2 n LYS 151 N -1.91 2.46 0.00 4.33 5.02 -0.95 -4.55 118.16 122.56 1jg2 n LYS 151 Ca 0.03 -2.22 0.00 0.00 -2.02 0.00 0.00 58.31 54.09 1jg2 n LYS 151 Cb 0.20 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1jg2 n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jg2 n GLY 152 N 1.50 0.79 2.71 0.72 0.00 0.50 -4.57 105.19 106.84 1jg2 n GLY 152 Ca 0.20 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 1jg2 n GLY 152 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jg2 s PHE 153 N 0.00 -0.81 0.30 1.61 5.36 -1.26 -4.59 117.98 118.58 1jg2 s PHE 153 Ca 0.00 -0.96 0.05 0.00 -0.96 0.00 0.00 56.93 55.06 1jg2 s PHE 153 Cb 0.00 -0.07 0.77 0.00 -0.34 0.00 0.00 43.02 43.38 1jg2 s PHE 153 CO 0.00 -1.12 1.68 -1.35 -1.46 0.00 0.00 175.22 172.96 1jg2 h PRO 154 N 5.57 0.32 -1.08 10.12 0.11 -1.97 -2.94 132.00 142.12 1jg2 h PRO 154 Ca 0.11 -0.02 0.31 0.00 0.11 0.00 0.00 66.00 66.51 1jg2 h PRO 154 Cb 1.06 -0.07 -0.12 0.00 0.11 0.00 0.00 31.00 31.98 1jg2 h PRO 154 CO 0.13 0.21 0.68 -1.35 -0.21 0.00 0.00 178.00 177.46 1jg2 h PRO 155 N 0.33 0.34 -0.21 1.05 0.11 -1.99 -1.99 132.00 129.62 1jg2 h PRO 155 Ca 0.58 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1jg2 h PRO 155 Cb 1.16 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1jg2 h PRO 155 CO -0.58 0.22 0.00 1.63 -0.21 0.00 0.00 178.00 179.06 1jg2 n LYS 156 N -4.76 2.78 -1.56 1.05 4.76 -1.11 -5.02 118.16 114.30 1jg2 n LYS 156 Ca 0.29 -2.10 -0.31 0.00 -2.87 0.00 0.00 58.31 53.32 1jg2 n LYS 156 Cb 0.99 -1.32 0.06 0.00 -1.84 0.00 0.00 35.03 32.91 1jg2 n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jg2 s ALA 157 N -1.48 2.57 0.53 7.82 0.00 -0.75 -4.64 121.76 125.81 1jg2 s ALA 157 Ca 0.21 0.20 -0.07 0.00 0.00 0.00 0.00 51.96 52.30 1jg2 s ALA 157 Cb 0.14 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1jg2 s ALA 157 CO 0.09 -1.32 0.88 -1.25 0.00 0.00 0.00 175.76 174.16 1jg2 s PRO 158 N -4.83 3.56 0.10 0.00 0.04 -1.26 -5.06 135.00 127.55 1jg2 s PRO 158 Ca 0.60 0.40 0.07 0.00 0.04 0.00 0.00 61.00 62.11 1jg2 s PRO 158 Cb -0.15 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1jg2 s PRO 158 CO 0.52 -0.34 -0.09 0.71 0.04 0.00 0.00 177.00 177.84 1jg2 s TYR 159 N -2.90 2.76 0.10 0.56 1.51 0.91 -4.80 117.35 115.49 1jg2 s TYR 159 Ca 0.50 -0.14 -0.13 0.00 -1.01 0.00 0.00 57.07 56.29 1jg2 s TYR 159 Cb -0.11 -1.45 -0.15 0.00 -0.11 0.00 0.00 41.96 40.15 1jg2 s TYR 159 CO 0.48 0.43 1.31 -0.44 -1.11 0.00 0.00 175.55 176.23 1jg2 h ASP 160 N 3.62 0.96 -4.25 2.29 5.19 -1.26 -0.16 116.42 122.82 1jg2 h ASP 160 Ca -0.49 -0.62 -0.16 0.00 -0.62 0.00 0.00 57.03 55.15 1jg2 h ASP 160 Cb 1.17 -0.28 -0.24 0.00 0.18 0.00 0.00 39.33 40.16 1jg2 h ASP 160 CO 0.53 1.42 -0.43 -0.69 -3.12 0.00 0.00 179.24 176.95 1jg2 s VAL 161 N -3.79 0.03 -0.14 -1.35 1.01 -1.25 -2.05 120.40 112.86 1jg2 s VAL 161 Ca -0.10 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1jg2 s VAL 161 Cb 0.09 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 36.09 1jg2 s VAL 161 CO 0.91 -0.12 -0.14 -0.63 0.00 0.00 0.00 175.10 175.11 1jg2 s ILE 162 N -0.42 1.57 -0.24 2.22 1.01 -0.64 -2.30 121.20 122.39 1jg2 s ILE 162 Ca -0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 1jg2 s ILE 162 Cb -0.04 -1.47 -0.00 0.00 0.01 0.00 0.00 42.46 40.97 1jg2 s ILE 162 CO 0.01 0.46 -0.01 -0.63 0.00 0.00 0.00 174.94 174.77 1jg2 s ILE 163 N 1.39 3.47 -0.21 2.92 1.01 -0.26 -0.90 121.20 128.62 1jg2 s ILE 163 Ca 0.03 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 1jg2 s ILE 163 Cb -0.13 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1jg2 s ILE 163 CO -0.09 0.31 0.04 -0.69 0.00 0.00 0.00 174.94 174.52 1jg2 s VAL 164 N 1.47 4.38 -0.25 2.92 1.01 0.05 -0.46 120.40 129.51 1jg2 s VAL 164 Ca 0.04 -0.17 0.13 0.00 0.00 0.00 0.00 61.98 61.99 1jg2 s VAL 164 Cb -0.15 -3.00 0.60 0.00 0.00 0.00 0.00 36.38 33.83 1jg2 s VAL 164 CO -0.02 0.41 1.56 0.35 0.00 0.00 0.00 175.10 177.40 1jg2 n THR 165 N 4.17 2.56 -3.97 3.92 -2.24 -0.21 -4.35 114.28 114.15 1jg2 n THR 165 Ca -0.17 -1.98 -0.12 0.00 -2.27 0.00 0.00 64.05 59.52 1jg2 n THR 165 Cb 0.52 -0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 68.32 1jg2 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jg2 s ALA 166 N -2.97 0.16 0.08 6.98 0.00 -1.26 -4.62 121.76 120.13 1jg2 s ALA 166 Ca 0.47 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 1jg2 s ALA 166 Cb 0.39 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 1jg2 s ALA 166 CO 0.09 -0.02 1.07 0.20 0.00 0.00 0.00 175.76 177.10 1jg2 s GLY 167 N -0.51 2.76 0.27 0.00 0.00 0.86 -4.40 107.32 106.31 1jg2 s GLY 167 Ca -0.04 0.71 0.09 0.00 0.00 0.00 0.00 44.72 45.47 1jg2 s GLY 167 CO -0.00 1.74 0.08 0.00 0.00 0.00 0.00 173.10 174.92 1jg2 s ALA 168 N 0.52 3.34 -0.78 3.20 0.00 -0.07 0.60 121.76 128.58 1jg2 s ALA 168 Ca 0.52 -1.59 0.26 0.00 0.00 0.00 0.00 51.96 51.15 1jg2 s ALA 168 Cb -0.26 -0.95 0.73 0.00 0.00 0.00 0.00 23.12 22.64 1jg2 s ALA 168 CO 0.30 0.24 1.65 -0.35 0.00 0.00 0.00 175.76 177.60 1jg2 n PRO 169 N -1.02 0.20 -3.83 0.00 -0.04 -1.26 -1.08 135.00 127.98 1jg2 n PRO 169 Ca -0.07 0.13 -0.07 0.00 -0.04 0.00 0.00 63.50 63.45 1jg2 n PRO 169 Cb 0.59 -1.70 0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1jg2 n PRO 169 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1jg2 s LYS 170 N -3.09 2.02 -0.41 0.54 -2.85 -1.26 -4.55 119.74 110.13 1jg2 s LYS 170 Ca 0.10 -1.31 -0.25 0.00 -1.00 0.00 0.00 55.97 53.52 1jg2 s LYS 170 Cb 0.14 0.56 0.02 0.00 -2.06 0.00 0.00 37.83 36.49 1jg2 s LYS 170 CO 0.63 -0.95 0.87 0.42 0.10 0.00 0.00 175.35 176.42 1jg2 s ILE 171 N -2.17 4.59 0.05 3.79 -1.09 -1.26 -4.95 121.20 120.16 1jg2 s ILE 171 Ca 0.18 0.88 -0.30 0.00 -2.23 0.00 0.00 60.65 59.17 1jg2 s ILE 171 Cb -0.04 -4.33 -0.09 0.00 -1.58 0.00 0.00 42.46 36.41 1jg2 s ILE 171 CO 0.10 -0.63 1.84 -2.84 -1.23 0.00 0.00 174.94 172.18 1jg2 s PRO 172 N 3.45 4.15 0.22 2.79 0.02 -1.26 -4.90 135.00 139.47 1jg2 s PRO 172 Ca 0.35 2.50 -0.07 0.00 0.02 0.00 0.00 61.00 63.80 1jg2 s PRO 172 Cb -0.12 -3.89 0.32 0.00 0.02 0.00 0.00 34.50 30.83 1jg2 s PRO 172 CO 0.21 -0.87 1.77 1.49 -0.33 0.00 0.00 177.00 179.27 1jg2 h GLU 173 N 9.53 0.54 -0.81 5.54 4.57 -1.90 -2.16 114.58 129.90 1jg2 h GLU 173 Ca -0.46 -0.03 0.14 0.00 -1.18 0.00 0.00 59.36 57.82 1jg2 h GLU 173 Cb 1.22 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.63 1jg2 h GLU 173 CO 0.94 0.36 0.53 -1.35 -1.18 0.00 0.00 179.01 178.31 1jg2 h PRO 174 N 0.56 0.55 -0.01 0.92 0.11 -1.91 0.33 132.00 132.55 1jg2 h PRO 174 Ca 0.34 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.31 1jg2 h PRO 174 Cb 0.37 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1jg2 h PRO 174 CO -0.28 0.37 -0.49 -0.07 -0.21 0.00 0.00 178.00 177.32 1jg2 h LEU 175 N 0.57 0.03 -0.07 2.35 3.38 -1.63 -1.62 115.31 118.32 1jg2 h LEU 175 Ca 0.40 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.18 1jg2 h LEU 175 Cb 0.73 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1jg2 h LEU 175 CO -0.15 0.51 -0.62 0.40 0.09 0.00 0.00 178.44 178.67 1jg2 h ILE 176 N 0.02 1.37 -0.62 1.22 2.04 -0.93 -3.16 117.51 117.45 1jg2 h ILE 176 Ca -0.00 -1.96 0.02 0.00 1.00 0.00 0.00 64.86 63.91 1jg2 h ILE 176 Cb 0.87 2.32 -0.03 0.00 -0.74 0.00 0.00 36.82 39.24 1jg2 h ILE 176 CO 0.06 0.59 0.41 -0.33 0.00 0.00 0.00 178.15 178.88 1jg2 h GLU 177 N 0.12 0.77 -0.10 2.37 5.08 -0.89 -2.54 114.58 119.39 1jg2 h GLU 177 Ca -0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1jg2 h GLU 177 Cb 1.28 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1jg2 h GLU 177 CO 0.13 0.51 0.00 1.04 -1.00 0.00 0.00 179.01 179.69 1jg2 n GLN 178 N -4.45 1.44 -3.35 2.33 6.02 -0.63 -4.88 117.38 113.87 1jg2 n GLN 178 Ca 0.07 -0.67 -0.36 0.00 -0.01 0.00 0.00 57.00 56.03 1jg2 n GLN 178 Cb 0.08 -1.35 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 1jg2 n GLN 178 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1jg2 s LEU 179 N -1.55 4.40 0.57 1.08 1.43 -0.96 -0.07 118.68 123.58 1jg2 s LEU 179 Ca 0.30 1.11 -0.16 0.00 -1.03 0.00 0.00 54.13 54.35 1jg2 s LEU 179 Cb 0.15 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.20 1jg2 s LEU 179 CO 0.24 0.16 1.03 -0.54 0.23 0.00 0.00 176.35 177.47 1jg2 s LYS 180 N -1.68 3.55 0.21 1.70 1.02 -0.07 -4.76 119.74 119.71 1jg2 s LYS 180 Ca 0.35 1.09 -0.31 0.00 0.02 0.00 0.00 55.97 57.12 1jg2 s LYS 180 Cb -0.16 -2.07 -0.10 0.00 -0.52 0.00 0.00 37.83 34.98 1jg2 s LYS 180 CO 0.19 -0.61 1.47 0.42 -0.92 0.00 0.00 175.35 175.90 1jg2 s ILE 181 N -2.55 2.71 0.00 2.17 -1.09 -1.26 -0.55 121.20 120.62 1jg2 s ILE 181 Ca 0.61 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.60 1jg2 s ILE 181 Cb -0.14 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 1jg2 s ILE 181 CO 0.36 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 1jg2 n GLY 182 N 2.79 0.83 3.97 6.18 0.00 0.14 -5.00 105.19 114.10 1jg2 n GLY 182 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1jg2 n GLY 182 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jg2 s GLY 183 N -1.55 1.76 0.02 -0.02 0.00 0.28 -4.86 107.32 102.95 1jg2 s GLY 183 Ca 0.00 -1.56 -0.07 0.00 0.00 0.00 0.00 44.72 43.09 1jg2 s GLY 183 CO 0.00 -0.96 0.13 -1.59 0.00 0.00 0.00 173.10 170.68 1jg2 s LYS 184 N -5.31 0.55 -0.17 2.90 -2.85 -0.87 -1.49 119.74 112.51 1jg2 s LYS 184 Ca 0.67 -0.56 0.00 0.00 -1.00 0.00 0.00 55.97 55.08 1jg2 s LYS 184 Cb -0.05 0.23 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 1jg2 s LYS 184 CO 0.46 -0.14 -0.16 -1.17 0.10 0.00 0.00 175.35 174.44 1jg2 s LEU 185 N -1.76 2.40 -0.27 2.77 2.96 0.64 -1.63 118.68 123.78 1jg2 s LEU 185 Ca -0.10 -0.52 -0.07 0.00 -0.22 0.00 0.00 54.13 53.22 1jg2 s LEU 185 Cb -0.04 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 1jg2 s LEU 185 CO -0.01 0.05 0.07 -0.63 -1.32 0.00 0.00 176.35 174.51 1jg2 s ILE 186 N 1.03 4.13 -0.12 6.68 -1.09 -0.08 0.00 121.20 131.75 1jg2 s ILE 186 Ca -0.01 -0.43 -0.18 0.00 -2.23 0.00 0.00 60.65 57.80 1jg2 s ILE 186 Cb -0.15 -3.02 0.04 0.00 -1.58 0.00 0.00 42.46 37.75 1jg2 s ILE 186 CO -0.04 0.21 0.45 -0.51 -1.23 0.00 0.00 174.94 173.82 1jg2 s ILE 187 N 1.56 0.02 -0.09 2.92 2.07 -0.50 -0.77 121.20 126.39 1jg2 s ILE 187 Ca 0.05 -0.13 -0.23 0.00 -1.41 0.00 0.00 60.65 58.93 1jg2 s ILE 187 Cb -0.16 -0.69 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 1jg2 s ILE 187 CO 0.03 -0.07 0.69 -2.84 -1.91 0.00 0.00 174.94 170.84 1jg2 s PRO 188 N -0.36 4.39 -0.05 3.50 0.02 -1.26 -0.75 135.00 140.48 1jg2 s PRO 188 Ca -0.05 0.83 0.03 0.00 0.02 0.00 0.00 61.00 61.83 1jg2 s PRO 188 Cb -0.03 -3.47 0.01 0.00 0.02 0.00 0.00 34.50 31.02 1jg2 s PRO 188 CO 0.03 0.00 -0.12 0.08 -0.33 0.00 0.00 177.00 176.66 1jg2 s VAL 189 N 1.04 1.09 0.05 3.83 1.01 0.05 -0.89 120.40 126.58 1jg2 s VAL 189 Ca 0.36 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.58 1jg2 s VAL 189 Cb -0.17 -0.98 0.09 0.00 0.00 0.00 0.00 36.38 35.32 1jg2 s VAL 189 CO 0.16 0.34 0.82 -0.83 0.00 0.00 0.00 175.10 175.58 1jg2 s GLY 190 N 0.44 -0.48 0.00 4.51 0.00 -0.24 -1.08 107.32 110.46 1jg2 s GLY 190 Ca -0.10 0.80 0.28 0.00 0.00 0.00 0.00 44.72 45.71 1jg2 s GLY 190 CO 0.03 0.26 1.95 1.44 0.00 0.00 0.00 173.10 176.78 1jg2 n SER 191 N -0.30 0.65 -4.62 1.64 7.64 -1.26 -4.03 113.62 113.34 1jg2 n SER 191 Ca -0.11 -1.28 -0.31 0.00 1.01 0.00 0.00 58.87 58.18 1jg2 n SER 191 Cb 0.62 -0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.72 1jg2 n SER 191 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1jg2 s TYR 192 N -1.98 2.91 0.41 1.43 1.51 -1.25 -5.02 117.35 115.35 1jg2 s TYR 192 Ca 0.41 -0.04 0.15 0.00 -1.01 0.00 0.00 57.07 56.58 1jg2 s TYR 192 Cb 0.20 -1.58 0.91 0.00 -0.11 0.00 0.00 41.96 41.39 1jg2 s TYR 192 CO 0.33 0.41 1.92 0.45 -1.11 0.00 0.00 175.55 177.56 1jg2 h HIS 193 N 4.14 0.00 -0.00 2.71 3.86 -1.95 -3.32 115.15 120.59 1jg2 h HIS 193 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1jg2 h HIS 193 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 1jg2 h HIS 193 CO 0.59 0.26 -0.12 1.28 0.86 0.00 0.00 177.93 180.80 1jg2 n LEU 194 N -4.16 0.59 -3.93 2.43 4.77 -1.26 -3.23 117.00 112.20 1jg2 n LEU 194 Ca -0.02 -0.67 -0.27 0.00 -0.03 0.00 0.00 56.01 55.02 1jg2 n LEU 194 Cb 0.32 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.24 1jg2 n LEU 194 CO 0.37 0.13 -0.45 0.26 -1.33 0.00 0.00 177.39 176.37 1jg2 s TRP 195 N -1.03 1.56 0.27 -1.77 0.52 -1.25 -3.47 118.94 113.77 1jg2 s TRP 195 Ca 0.03 -0.77 0.05 0.00 0.02 0.00 0.00 56.10 55.42 1jg2 s TRP 195 Cb 0.03 -1.25 -0.02 0.00 -1.15 0.00 0.00 33.47 31.08 1jg2 s TRP 195 CO 0.12 -0.50 0.16 1.04 0.02 0.00 0.00 176.95 177.80 1jg2 n GLN 196 N 4.78 0.46 -5.02 4.98 3.00 -0.41 -3.94 117.38 121.23 1jg2 n GLN 196 Ca -0.14 -2.50 -0.32 0.00 -0.01 0.00 0.00 57.00 54.03 1jg2 n GLN 196 Cb 0.50 1.73 -0.16 0.00 0.00 0.00 0.00 30.24 32.32 1jg2 n GLN 196 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1jg2 s GLU 197 N -3.07 3.18 -0.36 -1.09 2.56 -0.24 -0.47 118.70 119.21 1jg2 s GLU 197 Ca 0.23 -0.79 -0.29 0.00 0.00 0.00 0.00 54.97 54.12 1jg2 s GLU 197 Cb 0.01 -2.44 0.02 0.00 2.00 0.00 0.00 34.13 33.72 1jg2 s GLU 197 CO 0.16 0.21 1.08 -1.17 -0.56 0.00 0.00 175.26 174.98 1jg2 s LEU 198 N 0.31 3.87 -0.07 2.70 2.96 0.55 -0.77 118.68 128.23 1jg2 s LEU 198 Ca -0.15 0.89 -0.02 0.00 -0.22 0.00 0.00 54.13 54.64 1jg2 s LEU 198 Cb -0.17 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1jg2 s LEU 198 CO 0.07 -0.96 0.02 -0.76 -1.32 0.00 0.00 176.35 173.40 1jg2 s LEU 199 N 3.82 3.66 -0.38 -0.68 1.43 0.07 0.52 118.68 127.11 1jg2 s LEU 199 Ca 0.45 0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.66 1jg2 s LEU 199 Cb -0.11 -1.89 0.08 0.00 0.03 0.00 0.00 46.19 44.30 1jg2 s LEU 199 CO 0.19 0.36 0.16 -0.70 0.23 0.00 0.00 176.35 176.59 1jg2 s GLU 200 N -1.03 2.30 -0.46 1.70 2.12 -0.06 -1.41 118.70 121.86 1jg2 s GLU 200 Ca 0.15 -1.54 -0.14 0.00 0.36 0.00 0.00 54.97 53.79 1jg2 s GLU 200 Cb -0.11 -3.52 0.07 0.00 0.26 0.00 0.00 34.13 30.82 1jg2 s GLU 200 CO 0.04 -0.90 0.36 0.08 -0.54 0.00 0.00 175.26 174.31 1jg2 s VAL 201 N 1.26 5.09 -0.17 3.70 1.01 0.10 -1.42 120.40 129.96 1jg2 s VAL 201 Ca 0.03 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 1jg2 s VAL 201 Cb -0.22 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1jg2 s VAL 201 CO -0.01 -0.53 0.43 -0.13 0.00 0.00 0.00 175.10 174.86 1jg2 s ARG 202 N 1.62 4.24 -0.93 2.72 0.52 0.58 -0.26 118.95 127.43 1jg2 s ARG 202 Ca 0.04 0.30 -0.15 0.00 -0.52 0.00 0.00 55.73 55.40 1jg2 s ARG 202 Cb -0.23 -3.50 0.19 0.00 0.52 0.00 0.00 34.95 31.93 1jg2 s ARG 202 CO 0.06 0.03 0.98 0.21 0.02 0.00 0.00 175.30 176.61 1jg2 s LYS 203 N 1.07 3.71 0.42 3.54 2.20 -0.55 -1.18 119.74 128.95 1jg2 s LYS 203 Ca 0.22 -2.32 0.02 0.00 -0.36 0.00 0.00 55.97 53.52 1jg2 s LYS 203 Cb -0.15 -4.66 -0.01 0.00 -1.51 0.00 0.00 37.83 31.51 1jg2 s LYS 203 CO 0.08 -1.49 0.63 0.95 -0.36 0.00 0.00 175.35 175.16 1jg2 s THR 204 N 0.97 4.05 0.62 3.43 -4.23 -0.61 0.27 115.64 120.14 1jg2 s THR 204 Ca 0.26 -0.59 0.32 0.00 -1.18 0.00 0.00 61.69 60.50 1jg2 s THR 204 Cb -0.08 -3.48 0.37 0.00 1.34 0.00 0.00 72.50 70.65 1jg2 s THR 204 CO -0.08 -0.31 2.14 0.11 -0.54 0.00 0.00 174.62 175.94 1jg2 h LYS 205 N 0.51 0.00 -0.56 3.99 6.56 -1.95 0.60 116.57 125.72 1jg2 h LYS 205 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1jg2 h LYS 205 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 1jg2 h LYS 205 CO 0.57 0.00 0.00 -0.25 -2.06 0.00 0.00 179.45 177.71 1jg2 n ASP 206 N -3.52 4.98 0.00 0.86 8.00 -1.26 -5.07 116.55 120.54 1jg2 n ASP 206 Ca -0.00 -2.70 0.00 0.00 0.71 0.00 0.00 54.79 52.79 1jg2 n ASP 206 Cb 0.26 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1jg2 n ASP 206 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jg2 n GLY 207 N 0.68 -1.91 3.68 0.44 0.00 0.20 -4.98 105.19 103.31 1jg2 n GLY 207 Ca 0.25 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 1jg2 n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jg2 s ILE 208 N -0.65 4.30 -0.10 -0.61 1.01 -1.26 -1.58 121.20 122.31 1jg2 s ILE 208 Ca 0.00 1.61 0.04 0.00 0.00 0.00 0.00 60.65 62.30 1jg2 s ILE 208 Cb 0.00 -4.04 -0.00 0.00 0.01 0.00 0.00 42.46 38.43 1jg2 s ILE 208 CO 0.00 -0.02 -0.23 -0.54 0.00 0.00 0.00 174.94 174.15 1jg2 s LYS 209 N 2.38 3.01 -0.07 2.79 -0.14 -0.32 -4.98 119.74 122.40 1jg2 s LYS 209 Ca 0.55 -0.86 0.05 0.00 -1.36 0.00 0.00 55.97 54.34 1jg2 s LYS 209 Cb -0.24 -2.31 -0.00 0.00 -1.68 0.00 0.00 37.83 33.60 1jg2 s LYS 209 CO 0.21 0.21 -0.22 0.42 -0.76 0.00 0.00 175.35 175.21 1jg2 s ILE 210 N 0.27 1.82 -0.16 2.17 1.01 -1.26 -0.31 121.20 124.74 1jg2 s ILE 210 Ca -0.16 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.59 1jg2 s ILE 210 Cb -0.17 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.73 1jg2 s ILE 210 CO 0.08 0.51 -0.17 -0.54 0.00 0.00 0.00 174.94 174.82 1jg2 s LYS 211 N 0.16 3.14 -0.17 2.79 1.02 -0.51 -4.97 119.74 121.20 1jg2 s LYS 211 Ca -0.11 -0.78 -0.21 0.00 0.02 0.00 0.00 55.97 54.90 1jg2 s LYS 211 Cb -0.15 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 1jg2 s LYS 211 CO 0.05 -0.05 0.62 -0.80 -0.92 0.00 0.00 175.35 174.26 1jg2 s ASN 212 N 0.94 6.72 -0.23 2.83 0.02 -1.26 -0.88 114.94 123.08 1jg2 s ASN 212 Ca -0.03 0.87 0.15 0.00 -1.02 0.00 0.00 52.86 52.82 1jg2 s ASN 212 Cb -0.15 -2.35 0.71 0.00 0.02 0.00 0.00 41.25 39.49 1jg2 s ASN 212 CO -0.03 -0.22 1.64 1.41 0.02 0.00 0.00 177.10 179.92 1jg2 n HIS 213 N 4.72 1.72 0.00 2.20 8.25 0.18 -5.01 115.22 127.28 1jg2 n HIS 213 Ca -0.02 -0.84 0.00 0.00 -0.26 0.00 0.00 57.72 56.60 1jg2 n HIS 213 Cb 0.50 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1jg2 n HIS 213 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jg2 n GLY 214 N 0.13 0.49 3.78 -1.41 0.00 -1.26 -4.73 105.19 102.19 1jg2 n GLY 214 Ca 0.27 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 1jg2 n GLY 214 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jg2 s GLY 215 N -1.03 2.69 0.26 -0.02 0.00 -1.26 -0.33 107.32 107.63 1jg2 s GLY 215 Ca 0.00 0.81 -0.07 0.00 0.00 0.00 0.00 44.72 45.46 1jg2 s GLY 215 CO 0.00 1.22 0.38 -1.34 0.00 0.00 0.00 173.10 173.36 1jg2 s VAL 216 N -1.69 0.00 -0.26 1.40 -7.23 0.38 -4.82 120.40 108.18 1jg2 s VAL 216 Ca 0.65 -1.62 -0.03 0.00 -1.81 0.00 0.00 61.98 59.17 1jg2 s VAL 216 Cb -0.24 -2.38 0.08 0.00 0.56 0.00 0.00 36.38 34.40 1jg2 s VAL 216 CO 0.29 0.00 0.09 0.00 -0.31 0.00 0.00 175.10 175.17 1jg2 s ALA 217 N -3.84 0.99 0.21 1.32 0.00 -1.26 -1.28 121.76 117.90 1jg2 s ALA 217 Ca 0.29 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 51.27 1jg2 s ALA 217 Cb 0.02 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 1jg2 s ALA 217 CO 0.13 -1.47 -0.17 -0.06 0.00 0.00 0.00 175.76 174.18 1jg2 s PHE 218 N 1.89 1.93 0.78 0.00 0.40 -1.23 -5.03 117.98 116.72 1jg2 s PHE 218 Ca 0.06 -0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 55.80 1jg2 s PHE 218 Cb -0.17 -0.90 0.06 0.00 0.51 0.00 0.00 43.02 42.53 1jg2 s PHE 218 CO -0.22 0.46 1.12 0.14 0.70 0.00 0.00 175.22 177.41 1jg2 s VAL 219 N -2.53 2.95 0.44 -0.44 -7.23 -1.26 -4.41 120.40 107.92 1jg2 s VAL 219 Ca 0.23 0.34 -0.23 0.00 -1.81 0.00 0.00 61.98 60.51 1jg2 s VAL 219 Cb -0.04 -2.74 -0.08 0.00 0.56 0.00 0.00 36.38 34.08 1jg2 s VAL 219 CO 0.09 -0.37 1.08 -2.16 -0.31 0.00 0.00 175.10 173.43 1jg2 s PRO 220 N -4.61 3.93 -0.47 4.82 0.04 -1.20 -0.10 135.00 137.42 1jg2 s PRO 220 Ca 0.65 1.55 -0.24 0.00 0.04 0.00 0.00 61.00 62.99 1jg2 s PRO 220 Cb -0.20 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 31.99 1jg2 s PRO 220 CO 0.53 -0.35 0.87 -1.17 0.04 0.00 0.00 177.00 176.92 1jg2 s LEU 221 N -2.99 4.12 -0.27 -3.56 2.96 0.20 -4.61 118.68 114.53 1jg2 s LEU 221 Ca 0.62 -0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 54.40 1jg2 s LEU 221 Cb -0.22 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 1jg2 s LEU 221 CO 0.27 -1.01 0.15 -0.63 -1.32 0.00 0.00 176.35 173.81 1jg2 s ILE 222 N 3.58 5.00 -1.59 6.68 -1.09 -1.26 -0.05 121.20 132.47 1jg2 s ILE 222 Ca 0.33 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 1jg2 s ILE 222 Cb -0.11 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 1jg2 s ILE 222 CO 0.24 0.28 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 1jg2 n GLY 223 N 4.98 -1.49 0.37 6.18 0.00 -0.40 -4.84 105.19 109.98 1jg2 n GLY 223 Ca -0.15 -1.03 0.06 0.00 0.00 0.00 0.00 46.02 44.90 1jg2 n GLY 223 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jg2 h GLU 224 N 0.00 0.96 -0.27 1.61 4.81 -1.94 -1.98 114.58 117.78 1jg2 h GLU 224 Ca 0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1jg2 h GLU 224 Cb 0.00 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 1jg2 h GLU 224 CO 0.00 0.64 0.00 0.66 -0.73 0.00 0.00 179.01 179.58 1jg2 n TYR 225 N -4.54 0.99 -0.10 0.92 4.02 -1.26 -4.95 117.16 112.24 1jg2 n TYR 225 Ca 0.16 -0.89 0.00 0.00 -0.01 0.00 0.00 57.90 57.16 1jg2 n TYR 225 Cb 0.28 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.27 1jg2 n TYR 225 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jg2 n GLY 226 N -0.49 5.36 3.82 2.72 0.00 -0.74 -4.48 105.19 111.37 1jg2 n GLY 226 Ca 0.22 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 1jg2 n GLY 226 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jg2 s TRP 227 N 3.28 3.53 -2.00 1.61 0.52 0.93 -4.62 118.94 122.19 1jg2 s TRP 227 Ca 0.00 1.44 0.15 0.00 0.02 0.00 0.00 56.10 57.72 1jg2 s TRP 227 Cb 0.00 -2.68 0.91 0.00 -1.15 0.00 0.00 33.47 30.55 1jg2 s TRP 227 CO 0.00 0.18 1.33 1.63 0.02 0.00 0.00 176.95 180.11