#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jg3 h LYS 15 N 0.00 1.12 -0.34 5.31 1.63 -2.05 -0.85 116.57 121.39 1jg3 h LYS 15 Ca 0.00 -0.09 -0.12 0.00 -0.85 0.00 0.00 60.65 59.59 1jg3 h LYS 15 Cb 0.00 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.38 1jg3 h LYS 15 CO 0.00 0.78 -0.28 1.49 -3.45 0.00 0.00 179.45 177.99 1jg3 h GLU 16 N 1.14 0.71 -0.79 1.90 4.57 -2.05 -0.82 114.58 119.24 1jg3 h GLU 16 Ca 0.30 -0.31 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1jg3 h GLU 16 Cb -0.06 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 1jg3 h GLU 16 CO -0.06 0.91 0.31 -0.07 -1.18 0.00 0.00 179.01 178.93 1jg3 h LEU 17 N 0.61 1.10 -0.39 1.64 3.38 -1.75 -1.55 115.31 118.35 1jg3 h LEU 17 Ca 0.08 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1jg3 h LEU 17 Cb 0.79 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1jg3 h LEU 17 CO 0.06 0.97 -0.28 0.22 0.09 0.00 0.00 178.44 179.50 1jg3 h TYR 18 N 1.16 1.03 -0.80 1.13 3.20 -0.88 -0.91 116.97 120.89 1jg3 h TYR 18 Ca 0.26 -0.28 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1jg3 h TYR 18 Cb 0.22 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 1jg3 h TYR 18 CO 0.02 1.08 0.53 0.93 -1.64 0.00 0.00 178.16 179.08 1jg3 h GLU 19 N 0.68 1.05 -0.39 1.82 4.39 -0.90 0.55 114.58 121.79 1jg3 h GLU 19 Ca 0.07 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1jg3 h GLU 19 Cb 0.86 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1jg3 h GLU 19 CO 0.08 0.69 0.14 0.87 -1.16 0.00 0.00 179.01 179.63 1jg3 h LYS 20 N 1.08 0.59 -0.49 2.33 1.57 -1.13 -2.80 116.57 117.72 1jg3 h LYS 20 Ca 0.30 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1jg3 h LYS 20 Cb -0.11 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 1jg3 h LYS 20 CO -0.07 0.58 0.23 2.35 -0.57 0.00 0.00 179.45 181.97 1jg3 h TRP 21 N 0.48 0.43 -0.25 -1.35 -0.00 -0.30 -1.93 115.95 113.03 1jg3 h TRP 21 Ca 0.13 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 59.02 1jg3 h TRP 21 Cb 0.22 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.25 1jg3 h TRP 21 CO 0.00 0.20 0.10 0.52 -0.00 0.00 0.00 178.44 179.26 1jg3 h MET 22 N 0.46 0.34 -0.32 2.65 2.86 -0.80 -0.52 114.93 119.60 1jg3 h MET 22 Ca 0.22 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.71 1jg3 h MET 22 Cb 0.15 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1jg3 h MET 22 CO -0.17 0.29 -0.25 0.00 1.06 0.00 0.00 176.91 177.85 1jg3 h ARG 23 N 0.35 0.64 -0.40 1.72 3.08 -1.11 -1.43 114.38 117.23 1jg3 h ARG 23 Ca 0.09 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 1jg3 h ARG 23 Cb 0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1jg3 h ARG 23 CO -0.01 0.83 0.09 1.15 -1.07 0.00 0.00 179.97 180.96 1jg3 h THR 24 N 0.56 1.23 -0.75 2.04 2.02 -0.59 -1.09 112.91 116.33 1jg3 h THR 24 Ca 0.08 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1jg3 h THR 24 Cb 0.72 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 1jg3 h THR 24 CO 0.06 0.28 0.44 0.58 0.37 0.00 0.00 175.52 177.25 1jg3 h VAL 25 N 0.52 1.22 -0.64 3.16 2.07 -0.92 -0.90 116.25 120.76 1jg3 h VAL 25 Ca 0.13 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 1jg3 h VAL 25 Cb 0.33 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1jg3 h VAL 25 CO 0.00 0.23 0.09 -0.33 0.02 0.00 0.00 177.57 177.59 1jg3 h GLU 26 N 1.03 1.06 -0.58 1.57 4.39 -1.05 -0.87 114.58 120.13 1jg3 h GLU 26 Ca 0.27 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1jg3 h GLU 26 Cb -0.02 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 1jg3 h GLU 26 CO -0.05 0.98 0.29 1.98 -1.16 0.00 0.00 179.01 181.04 1jg3 h MET 27 N 0.99 0.83 -0.62 2.33 4.05 -0.74 0.16 114.93 121.94 1jg3 h MET 27 Ca 0.20 -0.12 -0.06 0.00 -0.28 0.00 0.00 59.70 59.44 1jg3 h MET 27 Cb 0.44 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.06 1jg3 h MET 27 CO 0.01 0.67 0.14 -0.07 0.23 0.00 0.00 176.91 177.89 1jg3 h LEU 28 N 0.79 0.92 -0.35 3.39 3.38 -0.81 -0.37 115.31 122.25 1jg3 h LEU 28 Ca 0.20 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1jg3 h LEU 28 Cb 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1jg3 h LEU 28 CO -0.03 0.90 -0.34 0.11 0.09 0.00 0.00 178.44 179.17 1jg3 h LYS 29 N 0.93 0.85 -0.61 1.13 1.57 -0.81 0.92 116.57 120.56 1jg3 h LYS 29 Ca 0.20 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1jg3 h LYS 29 Cb 0.34 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1jg3 h LYS 29 CO 0.00 1.09 0.30 0.00 -0.57 0.00 0.00 179.45 180.26 1jg3 h ALA 30 N 0.75 1.38 -0.00 3.86 0.00 -0.25 -1.40 119.26 123.60 1jg3 h ALA 30 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jg3 h ALA 30 Cb 0.92 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jg3 h ALA 30 CO 0.08 0.49 -0.03 0.39 0.00 0.00 0.00 179.25 180.19 1jg3 n GLU 31 N -4.36 0.72 -1.04 0.00 -0.58 -0.19 -4.90 120.64 110.29 1jg3 n GLU 31 Ca 0.06 -0.10 -0.02 0.00 -0.42 0.00 0.00 57.16 56.68 1jg3 n GLU 31 Cb 0.13 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.49 1jg3 n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jg3 n GLY 32 N 1.19 0.52 0.10 0.62 0.00 -0.53 -4.93 105.19 102.16 1jg3 n GLY 32 Ca 0.18 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 1jg3 n GLY 32 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jg3 h ILE 33 N 0.00 1.53 -3.68 -0.61 1.08 -1.05 -3.41 117.51 111.37 1jg3 h ILE 33 Ca -0.03 -2.44 -0.64 0.00 -0.39 0.00 0.00 64.86 61.36 1jg3 h ILE 33 Cb 0.14 3.17 -0.15 0.00 -3.07 0.00 0.00 36.82 36.90 1jg3 h ILE 33 CO 0.05 0.66 -0.19 -0.63 -0.69 0.00 0.00 178.15 177.34 1jg3 s ILE 34 N -2.36 5.13 0.00 -0.67 1.01 -0.97 -4.57 121.20 118.77 1jg3 s ILE 34 Ca -0.17 0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1jg3 s ILE 34 Cb 0.00 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1jg3 s ILE 34 CO 0.76 0.01 0.00 -2.11 0.00 0.00 0.00 174.94 173.60 1jg3 n ARG 35 N 5.45 1.95 -4.07 2.79 1.85 -1.26 -4.31 116.66 119.06 1jg3 n ARG 35 Ca -0.07 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.48 1jg3 n ARG 35 Cb 0.50 -0.81 -0.07 0.00 -1.05 0.00 0.00 32.46 31.03 1jg3 n ARG 35 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1jg3 s SER 36 N -1.41 5.43 0.36 2.89 1.04 -1.26 -5.01 113.70 115.75 1jg3 s SER 36 Ca 0.00 -0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.42 1jg3 s SER 36 Cb 0.00 -1.42 0.69 0.00 0.10 0.00 0.00 66.02 65.39 1jg3 s SER 36 CO 0.00 0.16 1.98 0.07 0.98 0.00 0.00 173.24 176.43 1jg3 h LYS 37 N 3.21 0.64 -0.02 4.02 2.10 -1.99 -2.14 116.57 122.38 1jg3 h LYS 37 Ca -0.47 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 1jg3 h LYS 37 Cb 1.17 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1jg3 h LYS 37 CO 0.64 0.49 0.00 0.93 -2.00 0.00 0.00 179.45 179.52 1jg3 h GLU 38 N 0.64 0.01 -0.33 0.07 3.07 -1.98 -0.22 114.58 115.84 1jg3 h GLU 38 Ca 0.16 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.96 1jg3 h GLU 38 Cb 0.06 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1jg3 h GLU 38 CO -0.02 0.01 -0.02 0.28 -1.40 0.00 0.00 179.01 177.85 1jg3 h VAL 39 N 0.01 1.26 -0.48 3.13 2.07 -1.91 -1.10 116.25 119.23 1jg3 h VAL 39 Ca 0.01 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1jg3 h VAL 39 Cb 0.01 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1jg3 h VAL 39 CO -0.02 0.33 0.31 -0.08 0.02 0.00 0.00 177.57 178.14 1jg3 h GLU 40 N 0.39 0.64 -0.37 1.57 4.81 -1.31 -1.00 114.58 119.30 1jg3 h GLU 40 Ca 0.09 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1jg3 h GLU 40 Cb 0.48 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1jg3 h GLU 40 CO 0.02 0.43 0.16 -0.09 -0.73 0.00 0.00 179.01 178.80 1jg3 h ARG 41 N 0.65 0.32 -0.23 1.92 2.43 -0.87 -0.89 114.38 117.71 1jg3 h ARG 41 Ca 0.18 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1jg3 h ARG 41 Cb -0.06 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1jg3 h ARG 41 CO -0.04 0.21 0.11 0.00 -1.51 0.00 0.00 179.97 178.74 1jg3 h ALA 42 N 1.22 0.27 -0.76 2.80 0.00 -0.84 -1.15 119.26 120.80 1jg3 h ALA 42 Ca 0.16 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1jg3 h ALA 42 Cb 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1jg3 h ALA 42 CO -0.14 -0.30 0.48 0.74 0.00 0.00 0.00 179.25 180.03 1jg3 h PHE 43 N 0.24 0.89 -0.12 0.00 -1.00 -0.83 -0.93 116.94 115.19 1jg3 h PHE 43 Ca 0.09 0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.81 1jg3 h PHE 43 Cb 0.03 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.28 1jg3 h PHE 43 CO -0.10 0.50 -0.33 -0.07 -1.61 0.00 0.00 178.31 176.70 1jg3 h LEU 44 N 0.92 0.25 0.01 1.54 3.38 -0.83 -3.16 115.31 117.42 1jg3 h LEU 44 Ca 0.31 -0.09 -0.26 0.00 0.09 0.00 0.00 57.88 57.93 1jg3 h LEU 44 Cb 0.04 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1jg3 h LEU 44 CO -0.12 0.58 -1.14 0.50 0.09 0.00 0.00 178.44 178.35 1jg3 h LYS 45 N 0.21 0.42 -2.95 1.13 3.64 -0.62 -3.40 116.57 115.01 1jg3 h LYS 45 Ca 0.03 -0.56 -0.61 0.00 -1.27 0.00 0.00 60.65 58.23 1jg3 h LYS 45 Cb 0.70 0.19 -0.41 0.00 -0.41 0.00 0.00 32.23 32.30 1jg3 h LYS 45 CO 0.05 1.22 -0.69 0.71 -2.27 0.00 0.00 179.45 178.48 1jg3 s TYR 46 N -2.97 2.78 0.61 1.91 2.02 -0.41 -5.10 117.35 116.18 1jg3 s TYR 46 Ca -0.06 -2.98 -0.19 0.00 -0.37 0.00 0.00 57.07 53.47 1jg3 s TYR 46 Cb 0.07 -2.22 -0.03 0.00 -0.40 0.00 0.00 41.96 39.38 1jg3 s TYR 46 CO 0.89 -0.66 1.23 -1.25 -1.57 0.00 0.00 175.55 174.19 1jg3 s PRO 47 N -0.76 2.87 0.49 -1.71 0.04 -1.22 -4.75 135.00 129.97 1jg3 s PRO 47 Ca 0.25 1.89 0.15 0.00 0.04 0.00 0.00 61.00 63.32 1jg3 s PRO 47 Cb -0.08 -1.91 1.17 0.00 0.04 0.00 0.00 34.50 33.73 1jg3 s PRO 47 CO -0.13 -1.30 2.10 -0.09 0.04 0.00 0.00 177.00 177.62 1jg3 h ARG 48 N 0.81 0.15 -0.09 4.56 2.43 -1.87 -2.72 114.38 117.66 1jg3 h ARG 48 Ca -0.51 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 58.68 1jg3 h ARG 48 Cb 1.31 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1jg3 h ARG 48 CO 0.55 0.10 0.20 0.10 -1.51 0.00 0.00 179.97 179.41 1jg3 h TYR 49 N 0.16 0.00 0.00 2.20 -0.00 -1.89 0.33 116.97 117.77 1jg3 h TYR 49 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.81 1jg3 h TYR 49 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.85 1jg3 h TYR 49 CO -0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 178.09 1jg3 h LEU 50 N 0.00 0.00 -2.16 0.10 3.38 -1.86 -3.23 115.31 111.55 1jg3 h LEU 50 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jg3 h LEU 50 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1jg3 h LEU 50 CO -0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 1jg3 n SER 51 N -2.82 2.78 -4.57 -0.43 7.64 0.10 -4.89 113.62 111.43 1jg3 n SER 51 Ca 0.02 -1.81 -0.24 0.00 1.01 0.00 0.00 58.87 57.84 1jg3 n SER 51 Cb 0.34 -0.15 -0.09 0.00 -1.01 0.00 0.00 64.21 63.31 1jg3 n SER 51 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1jg3 s VAL 52 N -1.19 3.06 0.80 0.44 -7.23 -1.22 -4.79 120.40 110.27 1jg3 s VAL 52 Ca 0.25 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.29 1jg3 s VAL 52 Cb 0.15 -2.59 0.08 0.00 0.56 0.00 0.00 36.38 34.58 1jg3 s VAL 52 CO 0.21 -0.30 1.21 -1.61 -0.31 0.00 0.00 175.10 174.30 1jg3 s GLU 53 N -3.37 1.68 0.26 4.82 2.02 -1.26 -4.74 118.70 118.12 1jg3 s GLU 53 Ca 0.29 1.76 -0.01 0.00 0.02 0.00 0.00 54.97 57.03 1jg3 s GLU 53 Cb -0.07 -1.78 0.54 0.00 0.10 0.00 0.00 34.13 32.92 1jg3 s GLU 53 CO 0.17 -2.18 1.76 -0.44 0.02 0.00 0.00 175.26 174.59 1jg3 h ASP 54 N -0.84 0.52 0.27 -0.19 3.32 -1.99 -1.16 116.42 116.35 1jg3 h ASP 54 Ca -0.46 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1jg3 h ASP 54 Cb 1.30 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1jg3 h ASP 54 CO 0.46 0.22 0.00 2.29 -1.72 0.00 0.00 179.24 180.49 1jg3 n LYS 55 N -4.87 0.03 0.00 3.56 2.85 -1.26 -2.34 118.16 116.12 1jg3 n LYS 55 Ca 0.17 0.40 0.05 0.00 -1.05 0.00 0.00 58.31 57.88 1jg3 n LYS 55 Cb 0.44 -1.57 -0.05 0.00 -0.65 0.00 0.00 35.03 33.20 1jg3 n LYS 55 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1jg3 n TYR 56 N -1.63 0.00 -0.25 5.58 4.01 -0.46 -4.65 117.16 119.77 1jg3 n TYR 56 Ca 0.01 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.94 1jg3 n TYR 56 Cb 0.09 0.00 0.50 0.00 -0.31 0.00 0.00 39.34 39.62 1jg3 n TYR 56 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jg3 h LYS 57 N 0.15 0.42 0.00 -0.72 1.57 -1.23 0.12 116.57 116.88 1jg3 h LYS 57 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1jg3 h LYS 57 Cb 0.24 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1jg3 h LYS 57 CO 0.00 0.28 0.00 0.36 -0.57 0.00 0.00 179.45 179.52 1jg3 n LYS 58 N -4.53 0.05 0.00 3.15 2.85 -1.26 -1.98 118.16 116.45 1jg3 n LYS 58 Ca 0.20 0.36 0.06 0.00 -1.05 0.00 0.00 58.31 57.88 1jg3 n LYS 58 Cb 0.69 -1.62 -0.04 0.00 -0.65 0.00 0.00 35.03 33.41 1jg3 n LYS 58 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1jg3 n TYR 59 N -1.72 0.00 -0.30 5.58 4.01 0.40 -4.67 117.16 120.45 1jg3 n TYR 59 Ca 0.02 0.00 0.34 0.00 -0.16 0.00 0.00 57.90 58.11 1jg3 n TYR 59 Cb 0.14 0.00 0.75 0.00 -0.31 0.00 0.00 39.34 39.92 1jg3 n TYR 59 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jg3 h ALA 60 N 1.90 3.08 0.00 -0.72 0.00 -1.12 0.16 119.26 122.56 1jg3 h ALA 60 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1jg3 h ALA 60 Cb 0.35 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1jg3 h ALA 60 CO 0.00 -1.43 -0.23 1.12 0.00 0.00 0.00 179.25 178.72 1jg3 h HIS 61 N 0.00 0.00 -3.56 0.00 2.07 -1.83 -3.44 115.15 108.39 1jg3 h HIS 61 Ca 0.54 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.54 1jg3 h HIS 61 Cb 2.21 0.00 0.06 0.00 2.57 0.00 0.00 27.41 32.26 1jg3 h HIS 61 CO 0.00 0.12 0.73 0.42 -3.07 0.00 0.00 177.93 176.13 1jg3 s ILE 62 N -3.16 2.61 -1.53 6.12 1.01 0.04 -4.80 121.20 121.49 1jg3 s ILE 62 Ca 0.05 0.54 -0.11 0.00 0.00 0.00 0.00 60.65 61.14 1jg3 s ILE 62 Cb 0.06 -3.35 -0.06 0.00 0.01 0.00 0.00 42.46 39.13 1jg3 s ILE 62 CO 0.70 0.10 2.73 -0.67 0.00 0.00 0.00 174.94 177.80 1jg3 n ASP 63 N 1.77 7.29 -3.59 3.58 2.03 -1.26 -4.68 116.55 121.69 1jg3 n ASP 63 Ca 0.05 -2.62 -0.11 0.00 0.52 0.00 0.00 54.79 52.63 1jg3 n ASP 63 Cb 0.40 -1.55 -0.04 0.00 -0.72 0.00 0.00 41.12 39.22 1jg3 n ASP 63 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1jg3 s GLU 64 N 2.54 1.15 0.80 -0.67 -1.05 -1.26 -4.78 118.70 115.43 1jg3 s GLU 64 Ca 0.63 -0.66 -0.11 0.00 -0.15 0.00 0.00 54.97 54.67 1jg3 s GLU 64 Cb 0.17 0.50 0.08 0.00 -0.44 0.00 0.00 34.13 34.44 1jg3 s GLU 64 CO -0.06 -0.47 1.12 -1.25 0.95 0.00 0.00 175.26 175.55 1jg3 s PRO 65 N -3.80 1.94 0.12 -4.83 0.04 -1.26 -4.35 135.00 122.86 1jg3 s PRO 65 Ca 0.03 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.47 1jg3 s PRO 65 Cb 0.01 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1jg3 s PRO 65 CO -0.12 -1.91 -0.13 -0.51 0.04 0.00 0.00 177.00 174.38 1jg3 s LEU 66 N -5.96 2.42 0.51 -3.56 1.43 -0.63 -4.92 118.68 107.97 1jg3 s LEU 66 Ca 0.64 -0.84 -0.20 0.00 -1.03 0.00 0.00 54.13 52.71 1jg3 s LEU 66 Cb -0.20 -0.48 -0.07 0.00 0.03 0.00 0.00 46.19 45.47 1jg3 s LEU 66 CO 0.54 -0.19 1.08 -2.84 0.23 0.00 0.00 176.35 175.17 1jg3 s PRO 67 N -2.82 3.60 0.19 1.29 0.02 -1.26 -0.19 135.00 135.83 1jg3 s PRO 67 Ca 0.09 1.45 0.01 0.00 0.02 0.00 0.00 61.00 62.57 1jg3 s PRO 67 Cb -0.04 -2.06 -0.05 0.00 0.02 0.00 0.00 34.50 32.38 1jg3 s PRO 67 CO 0.02 -0.61 0.06 0.96 -0.33 0.00 0.00 177.00 177.10 1jg3 s ILE 68 N -1.92 0.43 0.99 2.83 -4.36 -0.61 -4.71 121.20 113.85 1jg3 s ILE 68 Ca 0.69 -1.97 -0.15 0.00 -0.26 0.00 0.00 60.65 58.96 1jg3 s ILE 68 Cb -0.19 -2.30 0.01 0.00 1.25 0.00 0.00 42.46 41.22 1jg3 s ILE 68 CO 0.23 -0.27 0.06 -2.65 0.24 0.00 0.00 174.94 172.55 1jg3 n PRO 69 N -0.28 -0.45 -2.95 0.37 -0.02 -1.26 -3.31 135.00 127.10 1jg3 n PRO 69 Ca -0.03 -0.10 -0.22 0.00 -2.02 0.00 0.00 63.50 61.12 1jg3 n PRO 69 Cb 0.65 -1.65 0.03 0.00 -0.02 0.00 0.00 33.50 32.50 1jg3 n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jg3 n ALA 70 N -3.54 -0.94 -1.36 3.55 0.00 -1.26 -2.96 120.51 114.00 1jg3 n ALA 70 Ca 0.04 0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 1jg3 n ALA 70 Cb 0.56 -3.66 -0.05 0.00 0.00 0.00 0.00 19.45 16.30 1jg3 n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jg3 n GLY 71 N -1.45 1.33 2.27 0.00 0.00 -1.25 -5.01 105.19 101.08 1jg3 n GLY 71 Ca -0.13 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 1jg3 n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jg3 n GLN 72 N -2.61 0.95 -3.93 1.61 1.13 -1.16 -5.00 117.38 108.38 1jg3 n GLN 72 Ca -0.12 -1.99 -0.09 0.00 -1.94 0.00 0.00 57.00 52.86 1jg3 n GLN 72 Cb 0.41 0.13 -0.09 0.00 0.11 0.00 0.00 30.24 30.81 1jg3 n GLN 72 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1jg3 s THR 73 N -1.50 0.15 -0.16 5.09 -4.23 -1.26 -1.57 115.64 112.17 1jg3 s THR 73 Ca 0.23 -1.27 -0.10 0.00 -1.18 0.00 0.00 61.69 59.36 1jg3 s THR 73 Cb -0.02 -1.21 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 1jg3 s THR 73 CO 0.14 -0.70 0.17 0.54 -0.54 0.00 0.00 174.62 174.24 1jg3 s VAL 74 N -3.38 5.40 0.98 2.29 0.11 0.73 -4.83 120.40 121.70 1jg3 s VAL 74 Ca 0.02 0.29 -0.11 0.00 -2.93 0.00 0.00 61.98 59.25 1jg3 s VAL 74 Cb 0.03 -3.49 0.18 0.00 -1.53 0.00 0.00 36.38 31.58 1jg3 s VAL 74 CO -0.08 0.50 1.11 -0.44 -3.33 0.00 0.00 175.10 172.85 1jg3 s SER 75 N -0.14 2.48 0.45 3.54 0.01 -1.26 -1.61 113.70 117.16 1jg3 s SER 75 Ca 0.12 1.93 -0.23 0.00 1.31 0.00 0.00 55.95 59.08 1jg3 s SER 75 Cb -0.12 -2.47 -0.08 0.00 0.21 0.00 0.00 66.02 63.57 1jg3 s SER 75 CO 0.02 -3.34 1.15 0.00 0.41 0.00 0.00 173.24 171.48 1jg3 s ALA 76 N -2.63 3.00 0.22 1.44 0.00 -1.26 -4.55 121.76 117.98 1jg3 s ALA 76 Ca 0.67 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 53.43 1jg3 s ALA 76 Cb -0.23 -3.37 0.32 0.00 0.00 0.00 0.00 23.12 19.85 1jg3 s ALA 76 CO 0.60 -0.58 1.66 -1.35 0.00 0.00 0.00 175.76 176.08 1jg3 h PRO 77 N 2.15 0.11 -0.64 0.00 0.11 -1.83 -0.96 132.00 130.94 1jg3 h PRO 77 Ca -0.49 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1jg3 h PRO 77 Cb 1.24 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1jg3 h PRO 77 CO 0.61 0.07 0.42 1.12 -0.21 0.00 0.00 178.00 180.01 1jg3 h HIS 78 N 0.11 0.80 -0.25 0.65 2.07 -1.92 -0.96 115.15 115.66 1jg3 h HIS 78 Ca 0.34 0.02 -0.12 0.00 -2.85 0.00 0.00 60.37 57.76 1jg3 h HIS 78 Cb 0.56 -0.27 -0.00 0.00 2.57 0.00 0.00 27.41 30.27 1jg3 h HIS 78 CO -0.39 0.50 -0.30 1.98 -3.07 0.00 0.00 177.93 176.65 1jg3 h MET 79 N 0.86 0.65 -0.63 5.12 -1.53 -1.58 0.22 114.93 118.04 1jg3 h MET 79 Ca 0.24 -0.36 -0.03 0.00 -3.44 0.00 0.00 59.70 56.10 1jg3 h MET 79 Cb -0.09 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 30.95 1jg3 h MET 79 CO -0.05 0.97 0.27 0.28 0.14 0.00 0.00 176.91 178.52 1jg3 h VAL 80 N 0.36 1.23 -0.43 -5.77 2.07 -1.05 -1.60 116.25 111.05 1jg3 h VAL 80 Ca 0.03 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1jg3 h VAL 80 Cb 0.88 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1jg3 h VAL 80 CO 0.07 0.27 0.18 0.00 0.02 0.00 0.00 177.57 178.12 1jg3 h ALA 81 N 1.11 0.56 -0.54 1.67 0.00 -1.07 -1.31 119.26 119.68 1jg3 h ALA 81 Ca 0.21 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1jg3 h ALA 81 Cb 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1jg3 h ALA 81 CO -0.02 0.15 0.33 0.82 0.00 0.00 0.00 179.25 180.53 1jg3 h ILE 82 N 0.55 1.07 -0.21 0.00 2.04 -0.67 -0.99 117.51 119.31 1jg3 h ILE 82 Ca 0.14 -0.23 -0.14 0.00 1.00 0.00 0.00 64.86 65.64 1jg3 h ILE 82 Cb 0.17 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1jg3 h ILE 82 CO -0.01 0.12 -0.44 0.24 0.00 0.00 0.00 178.15 178.05 1jg3 h MET 83 N 0.66 0.53 -0.27 2.37 2.86 -1.09 -1.89 114.93 118.10 1jg3 h MET 83 Ca 0.21 -0.29 -0.14 0.00 -2.06 0.00 0.00 59.70 57.43 1jg3 h MET 83 Cb 0.00 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1jg3 h MET 83 CO -0.09 0.87 -0.40 -0.07 1.06 0.00 0.00 176.91 178.29 1jg3 h LEU 84 N 0.43 0.69 -0.63 1.22 3.38 -1.00 -0.60 115.31 118.79 1jg3 h LEU 84 Ca 0.03 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 1jg3 h LEU 84 Cb 0.95 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1jg3 h LEU 84 CO 0.08 1.01 -0.05 -0.33 0.09 0.00 0.00 178.44 179.24 1jg3 h GLU 85 N 0.53 1.02 -0.46 1.13 4.39 -1.05 -1.98 114.58 118.17 1jg3 h GLU 85 Ca 0.05 -0.34 -0.10 0.00 0.34 0.00 0.00 59.36 59.30 1jg3 h GLU 85 Cb 0.92 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1jg3 h GLU 85 CO 0.08 1.03 -0.13 0.82 -1.16 0.00 0.00 179.01 179.65 1jg3 h ILE 86 N 0.92 1.26 -0.27 3.13 2.04 -1.21 -2.85 117.51 120.54 1jg3 h ILE 86 Ca 0.16 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 1jg3 h ILE 86 Cb 0.60 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1jg3 h ILE 86 CO 0.04 0.43 0.12 0.00 0.00 0.00 0.00 178.15 178.73 1jg3 h ALA 87 N 1.08 1.72 -6.55 1.87 0.00 -0.62 -3.46 119.26 113.29 1jg3 h ALA 87 Ca 0.12 -0.06 -0.51 0.00 0.00 0.00 0.00 54.91 54.46 1jg3 h ALA 87 Cb 0.65 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1jg3 h ALA 87 CO 0.05 0.23 -0.93 -1.71 0.00 0.00 0.00 179.25 176.89 1jg3 n ASN 88 N -4.44 -2.28 -4.77 0.00 5.15 -0.79 -4.88 115.26 103.26 1jg3 n ASN 88 Ca 0.01 -1.09 -0.38 0.00 -0.60 0.00 0.00 54.58 52.52 1jg3 n ASN 88 Cb 0.11 -2.76 0.00 0.00 -0.53 0.00 0.00 39.78 36.60 1jg3 n ASN 88 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jg3 s LEU 89 N -6.95 4.05 0.08 1.20 1.43 -1.26 -5.06 118.68 112.17 1jg3 s LEU 89 Ca 0.22 2.49 0.04 0.00 -1.03 0.00 0.00 54.13 55.86 1jg3 s LEU 89 Cb -0.10 -4.14 -0.03 0.00 0.03 0.00 0.00 46.19 41.95 1jg3 s LEU 89 CO 0.91 -1.01 -0.12 -0.54 0.23 0.00 0.00 176.35 175.82 1jg3 s LYS 90 N -2.58 0.79 0.25 1.70 -0.14 -1.26 -4.91 119.74 113.59 1jg3 s LYS 90 Ca 0.63 -0.99 -0.30 0.00 -1.36 0.00 0.00 55.97 53.95 1jg3 s LYS 90 Cb -0.34 -0.67 -0.14 0.00 -1.68 0.00 0.00 37.83 35.00 1jg3 s LYS 90 CO 0.41 0.14 1.10 -2.30 -0.76 0.00 0.00 175.35 173.94 1jg3 n PRO 91 N 1.09 1.35 0.00 -1.68 -0.02 -1.23 -2.09 135.00 132.43 1jg3 n PRO 91 Ca -0.20 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1jg3 n PRO 91 Cb 0.55 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1jg3 n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jg3 n GLY 92 N 1.57 2.74 3.74 -1.23 0.00 0.79 -5.00 105.19 107.79 1jg3 n GLY 92 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1jg3 n GLY 92 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jg3 n MET 93 N -2.00 1.85 -3.38 1.61 2.81 -0.89 -4.96 117.12 112.17 1jg3 n MET 93 Ca 0.00 0.67 -0.43 0.00 -1.81 0.00 0.00 57.70 56.13 1jg3 n MET 93 Cb 0.00 -2.55 -0.09 0.00 -0.71 0.00 0.00 33.22 29.87 1jg3 n MET 93 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1jg3 s ASN 94 N -0.75 6.16 0.02 7.83 2.47 -1.26 -4.88 114.94 124.53 1jg3 s ASN 94 Ca 0.67 -0.75 0.04 0.00 0.42 0.00 0.00 52.86 53.25 1jg3 s ASN 94 Cb -0.44 -2.20 -0.03 0.00 -1.45 0.00 0.00 41.25 37.13 1jg3 s ASN 94 CO 0.53 -0.51 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.66 1jg3 s ILE 95 N 1.94 3.41 -0.12 -5.21 -1.09 -1.26 -0.40 121.20 118.47 1jg3 s ILE 95 Ca 0.09 -0.90 0.01 0.00 -2.23 0.00 0.00 60.65 57.63 1jg3 s ILE 95 Cb -0.18 -2.47 0.02 0.00 -1.58 0.00 0.00 42.46 38.24 1jg3 s ILE 95 CO 0.12 0.37 -0.15 -0.22 -1.23 0.00 0.00 174.94 173.83 1jg3 s LEU 96 N -1.44 1.72 -0.14 2.97 2.96 -0.92 -2.12 118.68 121.71 1jg3 s LEU 96 Ca 0.17 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 1jg3 s LEU 96 Cb -0.11 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 1jg3 s LEU 96 CO 0.07 0.00 0.01 -0.70 -1.32 0.00 0.00 176.35 174.41 1jg3 s GLU 97 N 1.08 3.52 -0.34 1.98 2.12 0.33 -0.92 118.70 126.46 1jg3 s GLU 97 Ca -0.04 -0.42 -0.09 0.00 0.36 0.00 0.00 54.97 54.77 1jg3 s GLU 97 Cb -0.15 -2.96 0.02 0.00 0.26 0.00 0.00 34.13 31.31 1jg3 s GLU 97 CO -0.03 0.42 0.15 0.08 -0.54 0.00 0.00 175.26 175.34 1jg3 s VAL 98 N -0.09 4.28 0.00 3.70 1.01 0.53 -1.28 120.40 128.55 1jg3 s VAL 98 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1jg3 s VAL 98 Cb -0.13 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1jg3 s VAL 98 CO 0.02 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1jg3 n GLY 99 N 4.93 0.76 0.16 4.51 0.00 0.79 -1.46 105.19 114.88 1jg3 n GLY 99 Ca -0.13 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 1jg3 n GLY 99 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jg3 h THR 100 N 0.00 0.77 0.00 2.61 2.02 -1.70 -3.44 112.91 113.17 1jg3 h THR 100 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1jg3 h THR 100 Cb 0.00 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1jg3 h THR 100 CO 0.00 0.03 0.00 0.61 0.37 0.00 0.00 175.52 176.53 1jg3 n GLY 101 N -1.25 3.38 0.08 2.16 0.00 -1.26 -1.49 105.19 106.81 1jg3 n GLY 101 Ca 0.02 0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.41 1jg3 n GLY 101 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jg3 n SER 102 N 9.99 0.70 0.00 1.61 3.41 -1.26 -4.08 113.62 123.99 1jg3 n SER 102 Ca 0.00 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1jg3 n SER 102 Cb 0.00 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1jg3 n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jg3 n GLY 103 N 1.34 1.32 0.31 5.00 0.00 -0.56 -4.43 105.19 108.18 1jg3 n GLY 103 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1jg3 n GLY 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1jg3 h TRP 104 N 0.00 -0.74 -0.72 1.61 7.01 -1.91 -1.64 115.95 119.58 1jg3 h TRP 104 Ca 0.00 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.05 1jg3 h TRP 104 Cb 0.00 0.28 -0.05 0.00 -2.10 0.00 0.00 29.16 27.28 1jg3 h TRP 104 CO 0.00 -0.41 0.42 -0.97 -2.79 0.00 0.00 178.44 174.69 1jg3 h ASN 105 N -0.64 0.65 -0.70 2.65 -1.24 -1.92 -1.58 115.58 112.80 1jg3 h ASN 105 Ca -0.03 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1jg3 h ASN 105 Cb 0.55 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.46 1jg3 h ASN 105 CO -0.00 0.43 0.45 0.00 -1.29 0.00 0.00 177.43 177.01 1jg3 h ALA 106 N 1.35 1.47 -0.31 1.57 0.00 -1.85 -0.05 119.26 121.44 1jg3 h ALA 106 Ca 0.31 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1jg3 h ALA 106 Cb 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jg3 h ALA 106 CO -0.16 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1jg3 h ALA 107 N 1.54 0.42 -0.51 0.00 0.00 -0.37 -1.92 119.26 118.42 1jg3 h ALA 107 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jg3 h ALA 107 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jg3 h ALA 107 CO -0.05 0.17 0.33 -0.07 0.00 0.00 0.00 179.25 179.62 1jg3 h LEU 108 N 0.34 0.59 -0.37 0.00 3.38 -0.80 -2.56 115.31 115.89 1jg3 h LEU 108 Ca 0.09 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1jg3 h LEU 108 Cb 0.44 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1jg3 h LEU 108 CO 0.02 0.44 0.15 0.40 0.09 0.00 0.00 178.44 179.54 1jg3 h ILE 109 N 0.68 0.93 -0.46 1.22 2.04 -0.88 -2.42 117.51 118.62 1jg3 h ILE 109 Ca 0.18 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.95 1jg3 h ILE 109 Cb -0.06 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1jg3 h ILE 109 CO -0.04 0.06 0.31 0.77 0.00 0.00 0.00 178.15 179.25 1jg3 h SER 110 N 0.32 0.48 0.56 1.72 4.64 -1.05 -0.93 113.55 119.29 1jg3 h SER 110 Ca 0.16 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 1jg3 h SER 110 Cb 0.11 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1jg3 h SER 110 CO -0.14 0.34 -0.17 -0.08 -0.87 0.00 0.00 176.83 175.91 1jg3 h GLU 111 N 0.57 0.00 0.05 4.77 4.57 -1.04 -1.17 114.58 122.32 1jg3 h GLU 111 Ca 0.18 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 58.00 1jg3 h GLU 111 Cb 0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 1jg3 h GLU 111 CO -0.04 0.17 -2.03 -0.89 -1.18 0.00 0.00 179.01 175.04 1jg3 n ILE 112 N -3.56 1.62 0.72 2.32 5.41 -0.52 -4.41 119.36 120.94 1jg3 n ILE 112 Ca -0.01 -0.45 0.13 0.00 1.00 0.00 0.00 62.75 63.42 1jg3 n ILE 112 Cb 0.31 -1.76 0.39 0.00 -0.71 0.00 0.00 39.64 37.88 1jg3 n ILE 112 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1jg3 n VAL 113 N -3.77 0.37 -2.96 1.39 0.24 -0.47 -3.54 118.33 109.59 1jg3 n VAL 113 Ca -0.39 -0.20 -0.19 0.00 -2.04 0.00 0.00 64.34 61.52 1jg3 n VAL 113 Cb 0.92 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1jg3 n VAL 113 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1jg3 n LYS 114 N -2.01 -3.13 -1.96 7.34 4.76 -0.44 -0.15 118.16 122.57 1jg3 n LYS 114 Ca 0.05 0.57 -0.03 0.00 -2.87 0.00 0.00 58.31 56.03 1jg3 n LYS 114 Cb 0.41 -5.25 0.00 0.00 -1.84 0.00 0.00 35.03 28.34 1jg3 n LYS 114 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1jg3 n THR 115 N -3.78 0.00 -1.70 -0.18 5.66 -1.26 -4.77 114.28 108.25 1jg3 n THR 115 Ca -0.08 -0.36 -0.44 0.00 -3.05 0.00 0.00 64.05 60.12 1jg3 n THR 115 Cb 0.58 0.29 -0.03 0.00 -1.55 0.00 0.00 70.33 69.61 1jg3 n THR 115 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1jg3 n ASP 116 N -1.50 3.62 -4.25 1.09 8.00 -1.26 -4.82 116.55 117.43 1jg3 n ASP 116 Ca -0.01 1.07 -0.31 0.00 0.71 0.00 0.00 54.79 56.25 1jg3 n ASP 116 Cb 0.16 -1.52 -0.16 0.00 -0.02 0.00 0.00 41.12 39.58 1jg3 n ASP 116 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jg3 s VAL 117 N 1.01 1.98 -0.16 2.53 1.01 -0.02 -4.52 120.40 122.24 1jg3 s VAL 117 Ca 0.76 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1jg3 s VAL 117 Cb -0.58 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 1jg3 s VAL 117 CO 0.35 0.55 -0.05 -0.31 0.00 0.00 0.00 175.10 175.64 1jg3 s TYR 118 N -0.08 2.99 -0.02 5.22 2.02 -0.90 -0.38 117.35 126.20 1jg3 s TYR 118 Ca -0.05 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 1jg3 s TYR 118 Cb -0.14 -1.96 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 1jg3 s TYR 118 CO 0.04 -0.11 -0.02 -0.08 -1.57 0.00 0.00 175.55 173.82 1jg3 s THR 119 N 0.48 0.23 0.02 -0.71 -1.32 -0.58 -0.51 115.64 113.24 1jg3 s THR 119 Ca -0.04 -0.02 0.07 0.00 -1.21 0.00 0.00 61.69 60.48 1jg3 s THR 119 Cb -0.14 -0.26 -0.03 0.00 -1.51 0.00 0.00 72.50 70.56 1jg3 s THR 119 CO 0.03 0.11 -0.19 -0.51 -2.21 0.00 0.00 174.62 171.86 1jg3 s ILE 120 N 0.52 2.71 -0.01 5.08 2.07 -0.40 -0.35 121.20 130.82 1jg3 s ILE 120 Ca -0.05 -1.11 0.00 0.00 -1.41 0.00 0.00 60.65 58.08 1jg3 s ILE 120 Cb -0.08 -2.10 0.01 0.00 0.13 0.00 0.00 42.46 40.42 1jg3 s ILE 120 CO -0.01 0.41 -0.00 -0.70 -1.91 0.00 0.00 174.94 172.73 1jg3 s GLU 121 N -1.21 0.17 0.27 3.50 2.56 0.70 -0.15 118.70 124.54 1jg3 s GLU 121 Ca 0.13 0.03 0.24 0.00 0.00 0.00 0.00 54.97 55.37 1jg3 s GLU 121 Cb -0.10 -0.28 0.38 0.00 2.00 0.00 0.00 34.13 36.13 1jg3 s GLU 121 CO 0.04 -0.06 1.48 0.07 -0.56 0.00 0.00 175.26 176.22 1jg3 h ARG 122 N 6.72 0.00 -4.76 4.30 0.11 -1.77 -0.93 114.38 118.05 1jg3 h ARG 122 Ca -0.35 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 59.06 1jg3 h ARG 122 Cb 1.16 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 32.06 1jg3 h ARG 122 CO 0.49 0.00 -0.49 0.42 0.10 0.00 0.00 179.97 180.49 1jg3 s ILE 123 N -3.21 5.24 0.21 0.08 1.01 -1.26 -4.68 121.20 118.59 1jg3 s ILE 123 Ca 0.06 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.45 1jg3 s ILE 123 Cb 0.09 -3.65 0.20 0.00 0.01 0.00 0.00 42.46 39.11 1jg3 s ILE 123 CO 0.69 0.05 1.66 -0.65 0.00 0.00 0.00 174.94 176.69 1jg3 h PRO 124 N 8.46 0.11 -0.61 2.79 0.11 -2.00 -0.66 132.00 140.20 1jg3 h PRO 124 Ca -0.32 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.87 1jg3 h PRO 124 Cb 1.16 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1jg3 h PRO 124 CO 0.62 0.08 0.41 1.49 -0.21 0.00 0.00 178.00 180.38 1jg3 h GLU 125 N 0.12 0.44 0.00 1.05 4.81 -1.99 -0.95 114.58 118.05 1jg3 h GLU 125 Ca 0.32 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.37 1jg3 h GLU 125 Cb 0.52 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1jg3 h GLU 125 CO -0.52 0.29 -0.77 -0.07 -0.73 0.00 0.00 179.01 177.20 1jg3 h LEU 126 N 0.45 0.00 -0.57 1.64 3.38 -1.50 -1.66 115.31 117.05 1jg3 h LEU 126 Ca 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1jg3 h LEU 126 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1jg3 h LEU 126 CO -0.08 0.69 0.25 0.58 0.09 0.00 0.00 178.44 179.96 1jg3 h VAL 127 N 0.00 1.21 -0.26 1.22 2.07 -0.27 0.26 116.25 120.48 1jg3 h VAL 127 Ca -0.03 -0.64 -0.14 0.00 0.82 0.00 0.00 66.70 66.71 1jg3 h VAL 127 Cb 1.55 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1jg3 h VAL 127 CO 0.09 0.25 -0.39 -0.33 0.02 0.00 0.00 177.57 177.21 1jg3 h GLU 128 N 0.77 0.73 -0.18 1.57 4.39 -1.36 -1.90 114.58 118.60 1jg3 h GLU 128 Ca 0.19 -0.43 0.03 0.00 0.34 0.00 0.00 59.36 59.48 1jg3 h GLU 128 Cb 0.16 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1jg3 h GLU 128 CO -0.02 1.06 0.01 0.35 -1.16 0.00 0.00 179.01 179.25 1jg3 h PHE 129 N 0.47 0.02 -0.11 4.33 3.57 -1.09 -0.44 116.94 123.68 1jg3 h PHE 129 Ca 0.03 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1jg3 h PHE 129 Cb 0.98 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1jg3 h PHE 129 CO 0.08 -0.01 0.06 0.00 -2.23 0.00 0.00 178.31 176.21 1jg3 h ALA 130 N 1.14 0.14 -0.67 2.41 0.00 -0.95 -1.82 119.26 119.51 1jg3 h ALA 130 Ca 0.08 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1jg3 h ALA 130 Cb 0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1jg3 h ALA 130 CO -0.13 -0.31 0.32 0.87 0.00 0.00 0.00 179.25 180.00 1jg3 h LYS 131 N 0.08 0.54 -0.38 0.00 1.57 -1.07 0.01 116.57 117.32 1jg3 h LYS 131 Ca 0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1jg3 h LYS 131 Cb 0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1jg3 h LYS 131 CO -0.01 0.36 0.24 0.00 -0.57 0.00 0.00 179.45 179.47 1jg3 h ARG 132 N 0.55 0.50 -0.68 3.15 2.47 -0.84 -0.77 114.38 118.76 1jg3 h ARG 132 Ca 0.33 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 59.01 1jg3 h ARG 132 Cb 0.35 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.53 1jg3 h ARG 132 CO -0.27 0.36 0.40 -0.91 0.56 0.00 0.00 179.97 180.12 1jg3 h ASN 133 N 0.50 0.83 -0.24 7.04 2.35 -0.45 -0.51 115.58 125.09 1jg3 h ASN 133 Ca 0.14 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1jg3 h ASN 133 Cb -0.02 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1jg3 h ASN 133 CO -0.03 0.66 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.33 1jg3 h LEU 134 N 0.93 0.43 0.39 1.61 3.38 -0.79 -1.95 115.31 119.31 1jg3 h LEU 134 Ca 0.24 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1jg3 h LEU 134 Cb -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1jg3 h LEU 134 CO -0.04 0.64 -0.19 -0.33 0.09 0.00 0.00 178.44 178.61 1jg3 h GLU 135 N 0.20 -0.50 -0.64 1.13 5.08 -0.97 0.07 114.58 118.96 1jg3 h GLU 135 Ca 0.07 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.60 1jg3 h GLU 135 Cb 0.43 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1jg3 h GLU 135 CO 0.01 -0.33 0.43 -0.09 -1.00 0.00 0.00 179.01 178.03 1jg3 h ARG 136 N -0.52 0.28 -0.01 2.33 2.43 -1.11 0.15 114.38 117.94 1jg3 h ARG 136 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1jg3 h ARG 136 Cb 0.40 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1jg3 h ARG 136 CO 0.09 0.19 -0.04 0.00 -1.51 0.00 0.00 179.97 178.70 1jg3 n ALA 137 N -2.56 2.67 -1.01 2.80 0.00 -0.73 -4.93 120.51 116.74 1jg3 n ALA 137 Ca 0.12 -0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.17 1jg3 n ALA 137 Cb 0.50 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.71 1jg3 n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jg3 n GLY 138 N 1.17 0.46 3.72 0.00 0.00 0.54 -5.02 105.19 106.07 1jg3 n GLY 138 Ca 0.19 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1jg3 n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jg3 s VAL 139 N -1.99 4.47 0.00 1.61 1.01 -0.08 -4.94 120.40 120.47 1jg3 s VAL 139 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1jg3 s VAL 139 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1jg3 s VAL 139 CO 0.00 0.24 0.00 2.29 0.00 0.00 0.00 175.10 177.63 1jg3 n LYS 140 N 3.19 1.13 -0.24 2.72 0.00 -1.26 -4.38 118.16 119.32 1jg3 n LYS 140 Ca 0.04 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.42 1jg3 n LYS 140 Cb 0.49 -0.95 0.20 0.00 -0.00 0.00 0.00 35.03 34.77 1jg3 n LYS 140 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1jg3 n ASN 141 N -1.42 2.43 -4.67 -5.58 6.94 -1.26 -4.89 115.26 106.81 1jg3 n ASN 141 Ca 0.00 -2.02 -0.37 0.00 -0.02 0.00 0.00 54.58 52.17 1jg3 n ASN 141 Cb 0.07 -0.31 -0.09 0.00 -2.36 0.00 0.00 39.78 37.10 1jg3 n ASN 141 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1jg3 s VAL 142 N -1.43 5.31 -0.33 3.53 1.01 -1.26 -0.84 120.40 126.39 1jg3 s VAL 142 Ca 0.30 0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.57 1jg3 s VAL 142 Cb 0.16 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 33.00 1jg3 s VAL 142 CO 0.20 0.32 0.09 -1.00 0.00 0.00 0.00 175.10 174.72 1jg3 s HIS 143 N 1.07 3.24 -0.24 5.22 3.76 0.49 -4.97 115.29 123.87 1jg3 s HIS 143 Ca 0.11 -1.39 -0.20 0.00 -0.15 0.00 0.00 55.06 53.43 1jg3 s HIS 143 Cb -0.14 -2.26 -0.02 0.00 1.11 0.00 0.00 32.58 31.27 1jg3 s HIS 143 CO 0.05 -0.71 0.59 0.08 -0.85 0.00 0.00 174.74 173.90 1jg3 s VAL 144 N 1.41 5.02 -0.09 -0.90 1.01 -1.26 -1.53 120.40 124.06 1jg3 s VAL 144 Ca -0.01 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.03 1jg3 s VAL 144 Cb -0.19 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1jg3 s VAL 144 CO 0.02 0.08 -0.04 -0.63 0.00 0.00 0.00 175.10 174.53 1jg3 s ILE 145 N 2.22 3.92 -0.24 2.22 1.01 0.53 -5.00 121.20 125.86 1jg3 s ILE 145 Ca 0.26 -0.39 -0.18 0.00 0.00 0.00 0.00 60.65 60.34 1jg3 s ILE 145 Cb -0.16 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1jg3 s ILE 145 CO 0.09 0.58 0.51 -0.22 0.00 0.00 0.00 174.94 175.91 1jg3 s LEU 146 N -0.61 4.09 0.00 2.97 2.96 -1.26 -0.22 118.68 126.61 1jg3 s LEU 146 Ca 0.10 0.58 0.00 0.00 -0.22 0.00 0.00 54.13 54.59 1jg3 s LEU 146 Cb -0.12 -2.68 0.00 0.00 0.50 0.00 0.00 46.19 43.89 1jg3 s LEU 146 CO 0.02 -0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 1jg3 n GLY 147 N 4.18 -0.97 3.44 7.98 0.00 -0.35 -4.92 105.19 114.56 1jg3 n GLY 147 Ca -0.04 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 1jg3 n GLY 147 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jg3 s ASP 148 N 0.00 6.27 0.00 1.61 -1.08 -1.26 -2.56 116.67 119.64 1jg3 s ASP 148 Ca 0.00 -1.26 0.10 0.00 -0.52 0.00 0.00 52.55 50.88 1jg3 s ASP 148 Cb 0.00 -2.40 0.43 0.00 -1.46 0.00 0.00 42.92 39.49 1jg3 s ASP 148 CO 0.00 -1.33 1.32 0.61 0.52 0.00 0.00 175.17 176.29 1jg3 n GLY 149 N 5.37 -0.84 0.11 2.66 0.00 -1.26 -2.15 105.19 109.07 1jg3 n GLY 149 Ca 0.01 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.10 1jg3 n GLY 149 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jg3 n SER 150 N -1.50 0.52 -1.02 1.61 3.41 -1.26 -0.43 113.62 114.94 1jg3 n SER 150 Ca 0.02 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 1jg3 n SER 150 Cb 0.12 -0.75 0.21 0.00 -0.26 0.00 0.00 64.21 63.53 1jg3 n SER 150 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jg3 n LYS 151 N -2.09 2.36 0.00 4.33 5.02 -0.92 -4.55 118.16 122.32 1jg3 n LYS 151 Ca 0.02 -2.03 0.00 0.00 -2.02 0.00 0.00 58.31 54.28 1jg3 n LYS 151 Cb 0.19 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1jg3 n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jg3 n GLY 152 N 1.42 0.48 2.74 0.72 0.00 0.42 -4.61 105.19 106.36 1jg3 n GLY 152 Ca 0.18 -0.90 -0.06 0.00 0.00 0.00 0.00 46.02 45.23 1jg3 n GLY 152 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jg3 n PHE 153 N 8.49 -3.62 -0.34 1.61 7.35 -1.26 -4.55 117.46 125.14 1jg3 n PHE 153 Ca 0.00 -1.52 0.24 0.00 -0.76 0.00 0.00 57.45 55.41 1jg3 n PHE 153 Cb 0.00 1.44 0.48 0.00 0.35 0.00 0.00 39.48 41.76 1jg3 n PHE 153 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1jg3 h PRO 154 N 4.82 0.32 -1.05 -7.13 0.11 -1.97 -2.75 132.00 124.36 1jg3 h PRO 154 Ca 0.03 -0.02 0.28 0.00 0.11 0.00 0.00 66.00 66.40 1jg3 h PRO 154 Cb 1.09 -0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.02 1jg3 h PRO 154 CO 0.09 0.21 0.66 -1.35 -0.21 0.00 0.00 178.00 177.40 1jg3 h PRO 155 N 0.33 0.40 -0.13 1.05 0.11 -2.00 -2.32 132.00 129.44 1jg3 h PRO 155 Ca 0.73 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.81 1jg3 h PRO 155 Cb 1.69 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.71 1jg3 h PRO 155 CO -0.57 0.26 0.00 1.63 -0.21 0.00 0.00 178.00 179.11 1jg3 n LYS 156 N -4.71 2.55 -1.95 1.05 4.76 -1.04 -5.03 118.16 113.79 1jg3 n LYS 156 Ca 0.27 -2.15 -0.32 0.00 -2.87 0.00 0.00 58.31 53.24 1jg3 n LYS 156 Cb 0.90 -1.35 0.02 0.00 -1.84 0.00 0.00 35.03 32.76 1jg3 n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jg3 s ALA 157 N -1.80 2.74 0.56 7.82 0.00 -0.87 -4.60 121.76 125.61 1jg3 s ALA 157 Ca 0.21 0.31 -0.10 0.00 0.00 0.00 0.00 51.96 52.38 1jg3 s ALA 157 Cb 0.16 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1jg3 s ALA 157 CO 0.06 -0.88 0.94 -1.25 0.00 0.00 0.00 175.76 174.63 1jg3 s PRO 158 N -4.31 3.63 0.12 0.00 0.04 -1.26 -5.04 135.00 128.17 1jg3 s PRO 158 Ca 0.62 0.59 0.08 0.00 0.04 0.00 0.00 61.00 62.33 1jg3 s PRO 158 Cb -0.15 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1jg3 s PRO 158 CO 0.41 -0.41 -0.12 0.71 0.04 0.00 0.00 177.00 177.64 1jg3 s TYR 159 N -2.95 2.68 0.10 0.56 1.51 0.31 -4.78 117.35 114.79 1jg3 s TYR 159 Ca 0.53 -0.19 -0.12 0.00 -1.01 0.00 0.00 57.07 56.29 1jg3 s TYR 159 Cb -0.11 -1.40 -0.15 0.00 -0.11 0.00 0.00 41.96 40.20 1jg3 s TYR 159 CO 0.48 0.43 1.29 -0.44 -1.11 0.00 0.00 175.55 176.20 1jg3 h ASP 160 N 3.54 0.88 -3.95 2.29 5.19 -1.06 -0.61 116.42 122.70 1jg3 h ASP 160 Ca -0.49 -0.61 -0.17 0.00 -0.62 0.00 0.00 57.03 55.14 1jg3 h ASP 160 Cb 1.17 -0.26 -0.25 0.00 0.18 0.00 0.00 39.33 40.17 1jg3 h ASP 160 CO 0.51 1.41 -0.45 -0.69 -3.12 0.00 0.00 179.24 176.90 1jg3 s VAL 161 N -3.63 0.01 -0.14 -1.35 1.01 -1.24 -1.07 120.40 114.00 1jg3 s VAL 161 Ca -0.10 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1jg3 s VAL 161 Cb 0.08 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 36.14 1jg3 s VAL 161 CO 0.90 -0.04 -0.18 -0.63 0.00 0.00 0.00 175.10 175.16 1jg3 s ILE 162 N -0.05 1.77 -0.26 2.22 1.01 -0.34 -2.16 121.20 123.38 1jg3 s ILE 162 Ca -0.02 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 1jg3 s ILE 162 Cb -0.02 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.87 1jg3 s ILE 162 CO 0.01 0.49 -0.02 -0.63 0.00 0.00 0.00 174.94 174.78 1jg3 s ILE 163 N 1.12 3.15 -0.21 2.92 1.01 -0.10 -1.19 121.20 127.91 1jg3 s ILE 163 Ca -0.02 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 1jg3 s ILE 163 Cb -0.14 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1jg3 s ILE 163 CO -0.06 0.16 0.12 -0.69 0.00 0.00 0.00 174.94 174.48 1jg3 s VAL 164 N 1.37 5.25 -0.35 2.92 1.01 -0.09 -0.35 120.40 130.16 1jg3 s VAL 164 Ca 0.01 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.19 1jg3 s VAL 164 Cb -0.17 -3.41 0.50 0.00 0.00 0.00 0.00 36.38 33.30 1jg3 s VAL 164 CO -0.03 0.41 1.51 0.35 0.00 0.00 0.00 175.10 177.35 1jg3 n THR 165 N 3.77 2.73 -3.69 3.92 -2.24 -0.53 -4.41 114.28 113.84 1jg3 n THR 165 Ca -0.16 -3.06 -0.15 0.00 -2.27 0.00 0.00 64.05 58.42 1jg3 n THR 165 Cb 0.52 -0.61 -0.08 0.00 -2.10 0.00 0.00 70.33 68.06 1jg3 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jg3 s ALA 166 N -3.41 -1.10 0.07 6.98 0.00 -1.26 -4.79 121.76 118.24 1jg3 s ALA 166 Ca 0.49 0.68 -0.27 0.00 0.00 0.00 0.00 51.96 52.86 1jg3 s ALA 166 Cb 0.43 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.50 1jg3 s ALA 166 CO 0.01 -0.29 0.85 0.20 0.00 0.00 0.00 175.76 176.53 1jg3 s GLY 167 N -1.20 2.88 0.24 0.00 0.00 0.03 -4.41 107.32 104.86 1jg3 s GLY 167 Ca -0.12 0.41 0.08 0.00 0.00 0.00 0.00 44.72 45.09 1jg3 s GLY 167 CO 0.06 1.27 0.12 0.00 0.00 0.00 0.00 173.10 174.55 1jg3 s ALA 168 N 0.04 3.45 -0.44 3.20 0.00 -0.24 0.00 121.76 127.76 1jg3 s ALA 168 Ca 0.43 -1.46 0.24 0.00 0.00 0.00 0.00 51.96 51.17 1jg3 s ALA 168 Cb -0.22 -1.15 0.52 0.00 0.00 0.00 0.00 23.12 22.28 1jg3 s ALA 168 CO 0.26 0.29 1.67 -1.00 0.00 0.00 0.00 175.76 176.98 1jg3 h PRO 169 N 1.76 0.00 -3.01 0.00 0.13 -1.86 -0.96 132.00 128.06 1jg3 h PRO 169 Ca -0.47 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1jg3 h PRO 169 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1jg3 h PRO 169 CO 0.61 0.00 0.24 -1.59 -0.23 0.00 0.00 178.00 177.03 1jg3 s LYS 170 N -3.23 1.99 -0.27 0.86 0.00 -1.26 -4.49 119.74 113.34 1jg3 s LYS 170 Ca 0.07 -1.20 -0.29 0.00 0.00 0.00 0.00 55.97 54.56 1jg3 s LYS 170 Cb 0.07 0.62 0.01 0.00 0.00 0.00 0.00 37.83 38.52 1jg3 s LYS 170 CO 0.64 -0.92 1.11 0.42 0.00 0.00 0.00 175.35 176.60 1jg3 s ILE 171 N -3.20 4.49 -0.01 3.79 1.01 -1.26 -4.97 121.20 121.06 1jg3 s ILE 171 Ca 0.13 1.76 -0.30 0.00 0.00 0.00 0.00 60.65 62.24 1jg3 s ILE 171 Cb -0.06 -4.31 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 1jg3 s ILE 171 CO 0.09 -0.35 1.79 -2.84 0.00 0.00 0.00 174.94 173.64 1jg3 s PRO 172 N 3.55 4.16 0.27 2.79 0.02 -1.26 -4.90 135.00 139.63 1jg3 s PRO 172 Ca 0.47 2.39 -0.01 0.00 0.02 0.00 0.00 61.00 63.87 1jg3 s PRO 172 Cb -0.15 -4.04 0.52 0.00 0.02 0.00 0.00 34.50 30.85 1jg3 s PRO 172 CO 0.13 -0.89 1.79 1.49 -0.33 0.00 0.00 177.00 179.20 1jg3 h GLU 173 N 9.92 0.74 -0.53 5.54 4.81 -1.92 -1.43 114.58 131.71 1jg3 h GLU 173 Ca -0.44 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1jg3 h GLU 173 Cb 1.21 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 1jg3 h GLU 173 CO 0.95 0.49 0.35 -1.35 -0.73 0.00 0.00 179.01 178.72 1jg3 h PRO 174 N 0.77 0.55 0.00 0.92 0.11 -1.90 -1.17 132.00 131.27 1jg3 h PRO 174 Ca 0.46 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.46 1jg3 h PRO 174 Cb 0.56 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1jg3 h PRO 174 CO -0.31 0.36 -0.37 -0.07 -0.21 0.00 0.00 178.00 177.40 1jg3 h LEU 175 N 0.57 0.00 0.13 2.35 3.38 -1.50 -2.11 115.31 118.13 1jg3 h LEU 175 Ca 0.22 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.96 1jg3 h LEU 175 Cb 0.16 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.93 1jg3 h LEU 175 CO -0.06 0.37 -0.98 0.40 0.09 0.00 0.00 178.44 178.26 1jg3 h ILE 176 N 0.00 1.41 -0.00 1.22 1.08 -1.19 -3.29 117.51 116.74 1jg3 h ILE 176 Ca -0.00 -2.45 -0.01 0.00 -0.39 0.00 0.00 64.86 62.00 1jg3 h ILE 176 Cb 0.77 2.94 -0.00 0.00 -3.07 0.00 0.00 36.82 37.46 1jg3 h ILE 176 CO 0.05 0.72 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.84 1jg3 h GLU 177 N -0.08 0.00 -0.27 2.37 5.08 -1.10 -2.51 114.58 118.07 1jg3 h GLU 177 Ca -0.16 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1jg3 h GLU 177 Cb 1.72 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1jg3 h GLU 177 CO 0.19 0.05 0.00 1.04 -1.00 0.00 0.00 179.01 179.29 1jg3 n GLN 178 N -4.48 1.73 -3.37 2.33 6.02 -0.81 -4.88 117.38 113.91 1jg3 n GLN 178 Ca -0.03 -1.12 -0.35 0.00 -0.01 0.00 0.00 57.00 55.50 1jg3 n GLN 178 Cb 0.13 -1.30 -0.06 0.00 1.02 0.00 0.00 30.24 30.04 1jg3 n GLN 178 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1jg3 s LEU 179 N -1.20 4.30 0.64 1.08 1.43 -0.95 -0.53 118.68 123.45 1jg3 s LEU 179 Ca 0.25 1.04 -0.14 0.00 -1.03 0.00 0.00 54.13 54.25 1jg3 s LEU 179 Cb 0.13 -3.35 -0.01 0.00 0.03 0.00 0.00 46.19 42.99 1jg3 s LEU 179 CO 0.19 0.07 1.07 -0.54 0.23 0.00 0.00 176.35 177.36 1jg3 s LYS 180 N -2.14 3.09 0.17 1.70 1.02 -0.24 -4.73 119.74 118.61 1jg3 s LYS 180 Ca 0.40 1.16 -0.31 0.00 0.02 0.00 0.00 55.97 57.24 1jg3 s LYS 180 Cb -0.14 -2.00 -0.10 0.00 -0.52 0.00 0.00 37.83 35.07 1jg3 s LYS 180 CO 0.19 -0.99 1.51 0.42 -0.92 0.00 0.00 175.35 175.56 1jg3 s ILE 181 N -2.62 2.76 0.00 2.17 1.01 -1.26 -0.15 121.20 123.12 1jg3 s ILE 181 Ca 0.62 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.84 1jg3 s ILE 181 Cb -0.16 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.95 1jg3 s ILE 181 CO 0.43 0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1jg3 n GLY 182 N 3.46 0.82 3.92 6.18 0.00 0.12 -5.01 105.19 114.68 1jg3 n GLY 182 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1jg3 n GLY 182 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jg3 s GLY 183 N -2.00 1.70 0.02 -0.02 0.00 0.79 -4.75 107.32 103.05 1jg3 s GLY 183 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1jg3 s GLY 183 CO 0.00 -0.35 -0.03 -1.59 0.00 0.00 0.00 173.10 171.13 1jg3 s LYS 184 N -5.71 0.31 -0.16 2.90 -2.85 -0.23 -1.35 119.74 112.65 1jg3 s LYS 184 Ca 0.68 -0.57 -0.01 0.00 -1.00 0.00 0.00 55.97 55.08 1jg3 s LYS 184 Cb -0.07 0.05 -0.01 0.00 -2.06 0.00 0.00 37.83 35.73 1jg3 s LYS 184 CO 0.51 -0.03 -0.11 -1.17 0.10 0.00 0.00 175.35 174.64 1jg3 s LEU 185 N -1.32 2.75 -0.22 2.77 2.96 0.57 -1.20 118.68 124.98 1jg3 s LEU 185 Ca -0.14 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1jg3 s LEU 185 Cb -0.09 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.96 1jg3 s LEU 185 CO -0.01 0.11 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.43 1jg3 s ILE 186 N 0.67 3.01 -0.22 6.68 1.01 -0.34 0.40 121.20 132.42 1jg3 s ILE 186 Ca -0.06 -0.69 -0.20 0.00 0.00 0.00 0.00 60.65 59.70 1jg3 s ILE 186 Cb -0.15 -2.39 0.06 0.00 0.01 0.00 0.00 42.46 39.99 1jg3 s ILE 186 CO 0.02 0.40 0.59 -0.51 0.00 0.00 0.00 174.94 175.44 1jg3 s ILE 187 N 1.41 -0.00 -0.19 2.92 2.07 -0.32 -0.91 121.20 126.18 1jg3 s ILE 187 Ca 0.04 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.01 1jg3 s ILE 187 Cb -0.14 -0.82 -0.00 0.00 0.13 0.00 0.00 42.46 41.62 1jg3 s ILE 187 CO -0.05 0.00 0.95 -2.84 -1.91 0.00 0.00 174.94 171.08 1jg3 s PRO 188 N 0.42 4.29 -0.07 3.50 0.02 -1.26 -1.14 135.00 140.76 1jg3 s PRO 188 Ca -0.01 1.21 0.03 0.00 0.02 0.00 0.00 61.00 62.25 1jg3 s PRO 188 Cb -0.04 -3.60 0.01 0.00 0.02 0.00 0.00 34.50 30.88 1jg3 s PRO 188 CO -0.01 -0.47 -0.14 0.08 -0.33 0.00 0.00 177.00 176.13 1jg3 s VAL 189 N 2.64 1.25 0.07 3.83 1.01 0.09 -1.08 120.40 128.21 1jg3 s VAL 189 Ca 0.42 -0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.58 1jg3 s VAL 189 Cb -0.16 -1.13 0.09 0.00 0.00 0.00 0.00 36.38 35.18 1jg3 s VAL 189 CO 0.10 0.38 0.83 -0.83 0.00 0.00 0.00 175.10 175.58 1jg3 s GLY 190 N 0.57 -0.45 0.00 4.51 0.00 -0.36 -0.76 107.32 110.83 1jg3 s GLY 190 Ca -0.14 0.69 0.27 0.00 0.00 0.00 0.00 44.72 45.55 1jg3 s GLY 190 CO 0.04 0.22 1.99 1.44 0.00 0.00 0.00 173.10 176.80 1jg3 n SER 191 N -0.32 0.00 -4.40 1.64 7.64 -1.26 -4.09 113.62 112.83 1jg3 n SER 191 Ca -0.10 -0.95 -0.27 0.00 1.01 0.00 0.00 58.87 58.56 1jg3 n SER 191 Cb 0.62 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.70 1jg3 n SER 191 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1jg3 s TYR 192 N -2.00 2.24 0.25 1.43 1.51 -1.24 -5.04 117.35 114.49 1jg3 s TYR 192 Ca 0.41 -0.38 -0.06 0.00 -1.01 0.00 0.00 57.07 56.03 1jg3 s TYR 192 Cb 0.19 -1.15 0.26 0.00 -0.11 0.00 0.00 41.96 41.15 1jg3 s TYR 192 CO 0.31 0.42 1.92 0.45 -1.11 0.00 0.00 175.55 177.55 1jg3 h HIS 193 N 3.45 1.22 -0.15 2.71 3.86 -1.94 -3.26 115.15 121.04 1jg3 h HIS 193 Ca -0.47 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1jg3 h HIS 193 Cb 1.20 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 29.25 1jg3 h HIS 193 CO 0.66 0.76 0.00 1.28 0.86 0.00 0.00 177.93 181.49 1jg3 n LEU 194 N -4.41 2.26 -3.81 2.43 4.77 -1.26 -3.47 117.00 113.51 1jg3 n LEU 194 Ca 0.12 -1.70 -0.25 0.00 -0.03 0.00 0.00 56.01 54.15 1jg3 n LEU 194 Cb 0.03 -0.10 -0.17 0.00 -2.33 0.00 0.00 43.42 40.85 1jg3 n LEU 194 CO 0.36 0.54 -0.40 0.26 -1.33 0.00 0.00 177.39 176.83 1jg3 s TRP 195 N -0.87 0.99 0.39 -1.77 0.52 -1.23 -3.48 118.94 113.48 1jg3 s TRP 195 Ca 0.12 -0.47 0.05 0.00 0.02 0.00 0.00 56.10 55.83 1jg3 s TRP 195 Cb 0.07 -0.97 -0.02 0.00 -1.15 0.00 0.00 33.47 31.39 1jg3 s TRP 195 CO 0.09 -0.43 0.18 -0.65 0.02 0.00 0.00 176.95 176.16 1jg3 s GLN 196 N 1.87 1.88 -0.11 4.98 1.11 -0.30 -3.70 119.66 125.39 1jg3 s GLN 196 Ca 0.04 -2.13 0.02 0.00 0.01 0.00 0.00 55.36 53.29 1jg3 s GLN 196 Cb -0.13 -0.28 -0.01 0.00 -1.01 0.00 0.00 33.01 31.57 1jg3 s GLN 196 CO -0.07 -0.55 -0.16 -2.00 0.01 0.00 0.00 175.29 172.52 1jg3 s GLU 197 N -3.62 3.13 -0.54 2.91 2.56 0.06 -0.64 118.70 122.57 1jg3 s GLU 197 Ca 0.29 -0.74 -0.27 0.00 0.00 0.00 0.00 54.97 54.24 1jg3 s GLU 197 Cb 0.02 -2.49 0.03 0.00 2.00 0.00 0.00 34.13 33.69 1jg3 s GLU 197 CO 0.19 0.28 1.11 -1.17 -0.56 0.00 0.00 175.26 175.10 1jg3 s LEU 198 N 0.16 3.67 -0.06 2.70 2.96 0.53 -0.73 118.68 127.90 1jg3 s LEU 198 Ca -0.09 0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.90 1jg3 s LEU 198 Cb -0.15 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 1jg3 s LEU 198 CO 0.05 -1.34 0.13 -0.76 -1.32 0.00 0.00 176.35 173.12 1jg3 s LEU 199 N 4.53 4.23 -0.23 -0.68 1.43 -0.29 -0.04 118.68 127.63 1jg3 s LEU 199 Ca 0.41 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 1jg3 s LEU 199 Cb -0.08 -2.27 0.04 0.00 0.03 0.00 0.00 46.19 43.90 1jg3 s LEU 199 CO 0.26 0.33 -0.13 -0.70 0.23 0.00 0.00 176.35 176.34 1jg3 s GLU 200 N -1.45 2.65 -0.27 1.70 2.12 0.02 -1.17 118.70 122.29 1jg3 s GLU 200 Ca 0.20 -1.08 -0.03 0.00 0.36 0.00 0.00 54.97 54.43 1jg3 s GLU 200 Cb -0.12 -2.79 0.03 0.00 0.26 0.00 0.00 34.13 31.51 1jg3 s GLU 200 CO 0.11 -0.40 -0.02 0.08 -0.54 0.00 0.00 175.26 174.49 1jg3 s VAL 201 N 1.22 3.10 -0.14 3.70 1.01 0.16 -0.61 120.40 128.84 1jg3 s VAL 201 Ca -0.02 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 1jg3 s VAL 201 Cb -0.17 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1jg3 s VAL 201 CO -0.08 0.11 0.39 -0.60 0.00 0.00 0.00 175.10 174.92 1jg3 s ARG 202 N 1.34 4.30 -0.14 2.72 6.06 0.44 -0.32 118.95 133.35 1jg3 s ARG 202 Ca -0.01 0.28 -0.22 0.00 -2.50 0.00 0.00 55.73 53.28 1jg3 s ARG 202 Cb -0.17 -3.44 -0.03 0.00 0.06 0.00 0.00 34.95 31.37 1jg3 s ARG 202 CO -0.02 0.19 0.65 0.21 -2.50 0.00 0.00 175.30 173.82 1jg3 s LYS 203 N 0.58 4.30 0.53 5.12 2.20 -0.46 -0.60 119.74 131.41 1jg3 s LYS 203 Ca 0.21 0.71 0.06 0.00 -0.36 0.00 0.00 55.97 56.59 1jg3 s LYS 203 Cb -0.14 -3.52 0.03 0.00 -1.51 0.00 0.00 37.83 32.69 1jg3 s LYS 203 CO 0.07 -0.10 0.40 0.95 -0.36 0.00 0.00 175.35 176.31 1jg3 s THR 204 N 1.42 1.78 0.49 3.43 -4.23 -0.19 0.13 115.64 118.46 1jg3 s THR 204 Ca 0.32 -1.47 0.16 0.00 -1.18 0.00 0.00 61.69 59.51 1jg3 s THR 204 Cb -0.16 -2.25 0.24 0.00 1.34 0.00 0.00 72.50 71.67 1jg3 s THR 204 CO 0.13 0.00 2.09 0.11 -0.54 0.00 0.00 174.62 176.41 1jg3 h LYS 205 N 0.78 0.00 0.00 3.99 6.56 -1.97 -3.21 116.57 122.73 1jg3 h LYS 205 Ca -0.37 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.21 1jg3 h LYS 205 Cb 1.30 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.93 1jg3 h LYS 205 CO 0.57 0.07 -0.28 -0.40 -2.06 0.00 0.00 179.45 177.36 1jg3 n ASP 206 N -4.43 1.48 0.00 0.86 5.68 -1.26 -5.10 116.55 113.77 1jg3 n ASP 206 Ca -0.03 -2.78 0.00 0.00 -0.50 0.00 0.00 54.79 51.48 1jg3 n ASP 206 Cb 0.15 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 1jg3 n ASP 206 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jg3 n GLY 207 N -0.84 -0.56 3.31 6.12 0.00 -1.21 -5.16 105.19 106.84 1jg3 n GLY 207 Ca 0.11 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1jg3 n GLY 207 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jg3 s ILE 208 N -2.85 0.08 -0.09 -0.61 -4.36 -1.26 -1.03 121.20 111.09 1jg3 s ILE 208 Ca 0.00 -1.25 0.02 0.00 -0.26 0.00 0.00 60.65 59.16 1jg3 s ILE 208 Cb 0.00 -1.65 0.01 0.00 1.25 0.00 0.00 42.46 42.07 1jg3 s ILE 208 CO 0.00 -0.38 -0.14 -0.54 0.24 0.00 0.00 174.94 174.12 1jg3 s LYS 209 N -3.92 2.02 -0.19 0.37 1.02 0.23 -4.90 119.74 114.36 1jg3 s LYS 209 Ca 0.13 -0.50 -0.03 0.00 0.02 0.00 0.00 55.97 55.59 1jg3 s LYS 209 Cb 0.03 -1.71 -0.02 0.00 -0.52 0.00 0.00 37.83 35.61 1jg3 s LYS 209 CO -0.04 -0.04 -0.05 0.42 -0.92 0.00 0.00 175.35 174.73 1jg3 s ILE 210 N 0.91 3.55 -0.19 2.17 1.01 -1.26 -0.42 121.20 126.97 1jg3 s ILE 210 Ca -0.09 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 1jg3 s ILE 210 Cb -0.15 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.74 1jg3 s ILE 210 CO 0.00 0.46 -0.11 -0.54 0.00 0.00 0.00 174.94 174.75 1jg3 s LYS 211 N 0.93 3.25 -0.36 2.79 1.02 0.22 -4.97 119.74 122.62 1jg3 s LYS 211 Ca -0.00 -0.71 -0.19 0.00 0.02 0.00 0.00 55.97 55.09 1jg3 s LYS 211 Cb -0.15 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 1jg3 s LYS 211 CO 0.01 -0.12 0.56 1.21 -0.92 0.00 0.00 175.35 176.10 1jg3 s ASN 212 N 1.18 6.35 0.00 2.83 3.84 -1.26 -0.80 114.94 127.08 1jg3 s ASN 212 Ca 0.02 -0.02 0.28 0.00 0.21 0.00 0.00 52.86 53.34 1jg3 s ASN 212 Cb -0.14 -2.29 1.02 0.00 -0.55 0.00 0.00 41.25 39.29 1jg3 s ASN 212 CO -0.04 -0.55 1.73 1.41 -2.79 0.00 0.00 177.10 176.86 1jg3 n HIS 213 N 5.88 0.00 0.00 0.43 8.25 0.95 -5.01 115.22 125.72 1jg3 n HIS 213 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1jg3 n HIS 213 Cb 0.49 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1jg3 n HIS 213 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jg3 n GLY 214 N 1.21 1.07 3.77 -1.41 0.00 -1.26 -4.84 105.19 103.74 1jg3 n GLY 214 Ca 0.17 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 1jg3 n GLY 214 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jg3 s GLY 215 N 0.00 3.00 0.21 -0.02 0.00 -1.26 -0.35 107.32 108.90 1jg3 s GLY 215 Ca 0.00 1.25 -0.06 0.00 0.00 0.00 0.00 44.72 45.92 1jg3 s GLY 215 CO 0.00 1.90 0.26 -1.34 0.00 0.00 0.00 173.10 173.92 1jg3 s VAL 216 N -1.14 0.01 -0.20 1.40 -7.23 0.19 -4.84 120.40 108.59 1jg3 s VAL 216 Ca 0.49 -1.73 -0.02 0.00 -1.81 0.00 0.00 61.98 58.90 1jg3 s VAL 216 Cb -0.40 -2.31 0.06 0.00 0.56 0.00 0.00 36.38 34.29 1jg3 s VAL 216 CO 0.53 -0.05 0.02 0.00 -0.31 0.00 0.00 175.10 175.29 1jg3 s ALA 217 N -4.09 1.13 0.15 1.32 0.00 -1.26 -1.15 121.76 117.86 1jg3 s ALA 217 Ca 0.30 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.55 1jg3 s ALA 217 Cb 0.04 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1jg3 s ALA 217 CO 0.09 -1.18 -0.16 -0.06 0.00 0.00 0.00 175.76 174.45 1jg3 s PHE 218 N 1.80 1.64 0.68 0.00 0.40 -1.23 -5.01 117.98 116.26 1jg3 s PHE 218 Ca -0.02 -0.52 -0.15 0.00 -0.60 0.00 0.00 56.93 55.65 1jg3 s PHE 218 Cb -0.17 -0.82 0.01 0.00 0.51 0.00 0.00 43.02 42.54 1jg3 s PHE 218 CO -0.08 0.26 1.13 0.14 0.70 0.00 0.00 175.22 177.37 1jg3 s VAL 219 N -2.20 3.05 0.46 -0.44 -7.23 -1.26 -4.22 120.40 108.55 1jg3 s VAL 219 Ca 0.14 0.48 -0.23 0.00 -1.81 0.00 0.00 61.98 60.57 1jg3 s VAL 219 Cb -0.05 -3.00 -0.07 0.00 0.56 0.00 0.00 36.38 33.82 1jg3 s VAL 219 CO 0.05 -0.31 1.14 -2.16 -0.31 0.00 0.00 175.10 173.51 1jg3 s PRO 220 N -4.10 3.77 -0.32 4.82 0.04 -1.23 -0.79 135.00 137.19 1jg3 s PRO 220 Ca 0.68 1.69 -0.23 0.00 0.04 0.00 0.00 61.00 63.18 1jg3 s PRO 220 Cb -0.22 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1jg3 s PRO 220 CO 0.43 -0.52 0.78 -1.17 0.04 0.00 0.00 177.00 176.57 1jg3 s LEU 221 N -3.08 4.10 -0.24 -3.56 2.96 0.10 -4.62 118.68 114.33 1jg3 s LEU 221 Ca 0.64 0.58 -0.08 0.00 -0.22 0.00 0.00 54.13 55.05 1jg3 s LEU 221 Cb -0.26 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 1jg3 s LEU 221 CO 0.32 -0.64 0.09 -0.63 -1.32 0.00 0.00 176.35 174.16 1jg3 s ILE 222 N 2.99 4.59 -2.68 6.68 1.01 -1.26 0.22 121.20 132.75 1jg3 s ILE 222 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1jg3 s ILE 222 Cb -0.14 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1jg3 s ILE 222 CO 0.14 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.04 1jg3 n GLY 223 N 4.63 -1.80 0.37 6.18 0.00 -0.72 -4.86 105.19 108.99 1jg3 n GLY 223 Ca -0.16 -1.13 0.13 0.00 0.00 0.00 0.00 46.02 44.87 1jg3 n GLY 223 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jg3 h GLU 224 N 0.00 0.63 -0.15 1.61 4.81 -1.94 -1.54 114.58 118.00 1jg3 h GLU 224 Ca 0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1jg3 h GLU 224 Cb 0.00 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1jg3 h GLU 224 CO 0.00 0.42 -0.09 0.66 -0.73 0.00 0.00 179.01 179.27 1jg3 n TYR 225 N -4.57 0.50 -1.41 0.92 4.02 -1.26 -4.98 117.16 110.39 1jg3 n TYR 225 Ca 0.18 -1.15 0.00 0.00 -0.01 0.00 0.00 57.90 56.92 1jg3 n TYR 225 Cb 0.51 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 1jg3 n TYR 225 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jg3 n GLY 226 N -1.05 5.23 3.77 2.72 0.00 -0.58 -4.54 105.19 110.74 1jg3 n GLY 226 Ca 0.21 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 1jg3 n GLY 226 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jg3 s TRP 227 N 2.18 3.66 -2.66 1.61 0.52 0.13 -4.59 118.94 119.79 1jg3 s TRP 227 Ca 0.00 1.77 0.27 0.00 0.02 0.00 0.00 56.10 58.16 1jg3 s TRP 227 Cb 0.00 -3.05 0.78 0.00 -1.15 0.00 0.00 33.47 30.06 1jg3 s TRP 227 CO 0.00 -0.04 1.59 1.63 0.02 0.00 0.00 176.95 180.15