#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mjk n GLU 24 N 0.00 0.00 -0.73 0.00 0.00 -1.26 -4.92 120.64 113.73 3mjk n GLU 24 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.31 3mjk n GLU 24 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 31.44 30.84 3mjk n GLU 24 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3mjk n ILE 25 N -1.15 0.00 -1.00 6.31 2.08 -1.26 -4.51 119.36 119.83 3mjk n ILE 25 Ca 0.00 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 62.94 3mjk n ILE 25 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 38.85 3mjk n ILE 25 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3mjk n PRO 26 N -0.03 0.00 -0.30 0.38 -0.02 -1.26 -4.58 135.00 129.19 3mjk n PRO 26 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 3mjk n PRO 26 Cb 0.00 -0.88 0.30 0.00 -0.02 0.00 0.00 33.50 32.90 3mjk n PRO 26 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3mjk h ARG 27 N 1.46 0.41 -0.75 -0.52 2.43 -1.99 0.86 114.38 116.28 3mjk h ARG 27 Ca -0.28 -0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.02 3mjk h ARG 27 Cb 0.98 -0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 30.34 3mjk h ARG 27 CO 0.42 0.27 0.26 1.05 -1.51 0.00 0.00 179.97 180.46 3mjk h GLU 28 N 0.43 0.36 0.00 0.20 4.11 -1.97 0.25 114.58 117.95 3mjk h GLU 28 Ca 0.55 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.96 3mjk h GLU 28 Cb 1.01 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3mjk h GLU 28 CO -0.51 0.24 0.00 0.28 0.07 0.00 0.00 179.01 179.09 3mjk n VAL 29 N -5.06 0.00 -0.31 -1.06 0.31 0.30 0.70 118.33 113.20 3mjk n VAL 29 Ca 0.14 1.06 0.12 0.00 -0.01 0.00 0.00 64.34 65.65 3mjk n VAL 29 Cb 0.44 -1.87 0.26 0.00 -0.91 0.00 0.00 33.84 31.75 3mjk n VAL 29 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3mjk h ILE 30 N 0.00 0.15 -0.77 2.52 2.04 -1.22 0.61 117.51 120.83 3mjk h ILE 30 Ca 0.00 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 3mjk h ILE 30 Cb 0.00 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.12 3mjk h ILE 30 CO 0.00 0.01 0.30 -0.33 0.00 0.00 0.00 178.15 178.13 3mjk h GLU 31 N 0.07 1.16 0.64 2.37 5.08 -0.40 0.11 114.58 123.60 3mjk h GLU 31 Ca 0.54 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 3mjk h GLU 31 Cb 1.08 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.15 3mjk h GLU 31 CO -0.81 0.95 -0.31 -0.09 -1.00 0.00 0.00 179.01 177.75 3mjk h ARG 32 N 1.13 -0.83 -0.90 2.33 2.43 0.56 0.44 114.38 119.55 3mjk h ARG 32 Ca 0.26 0.06 0.23 0.00 -0.81 0.00 0.00 59.98 59.71 3mjk h ARG 32 Cb 0.23 0.19 -0.13 0.00 -0.42 0.00 0.00 29.97 29.84 3mjk h ARG 32 CO -0.02 -0.52 0.38 -0.07 -1.51 0.00 0.00 179.97 178.23 3mjk h LEU 33 N -1.14 0.29 0.78 3.80 3.38 -0.70 -0.07 115.31 121.65 3mjk h LEU 33 Ca -0.09 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3mjk h LEU 33 Cb 0.69 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3mjk h LEU 33 CO 0.14 -0.03 -0.47 0.00 0.09 0.00 0.00 178.44 178.18 3mjk h ALA 34 N 1.72 -1.27 -0.32 1.53 0.00 -0.60 -2.89 119.26 117.44 3mjk h ALA 34 Ca 0.57 -0.25 -0.33 0.00 0.00 0.00 0.00 54.91 54.90 3mjk h ALA 34 Cb 1.09 0.58 -0.12 0.00 0.00 0.00 0.00 17.79 19.34 3mjk h ALA 34 CO -0.55 -1.22 0.14 2.89 0.00 0.00 0.00 179.25 180.51 3mjk n ARG 35 N -5.42 2.04 -4.13 0.00 1.85 0.13 -4.87 116.66 106.26 3mjk n ARG 35 Ca -0.14 -1.59 -0.10 0.00 -1.00 0.00 0.00 57.85 55.02 3mjk n ARG 35 Cb 0.48 -1.89 -0.10 0.00 -1.05 0.00 0.00 32.46 29.91 3mjk n ARG 35 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 3mjk s SER 36 N 0.94 0.26 -0.43 2.89 0.01 -0.69 -4.93 113.70 111.75 3mjk s SER 36 Ca 0.50 -1.17 -0.14 0.00 1.31 0.00 0.00 55.95 56.45 3mjk s SER 36 Cb 0.30 0.32 0.05 0.00 0.21 0.00 0.00 66.02 66.90 3mjk s SER 36 CO -0.10 -0.76 0.31 -1.10 0.41 0.00 0.00 173.24 172.00 3mjk s GLN 37 N -4.04 2.91 -0.25 12.44 -1.52 -1.26 -4.96 119.66 122.97 3mjk s GLN 37 Ca 0.24 -1.19 -0.02 0.00 -1.95 0.00 0.00 55.36 52.44 3mjk s GLN 37 Cb 0.07 -3.97 0.03 0.00 -0.22 0.00 0.00 33.01 28.92 3mjk s GLN 37 CO 0.02 -0.86 -0.05 0.42 -0.25 0.00 0.00 175.29 174.57 3mjk s ILE 38 N 1.62 2.91 -0.28 1.08 1.01 -1.26 -4.96 121.20 121.32 3mjk s ILE 38 Ca 0.04 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.68 3mjk s ILE 38 Cb -0.21 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 3mjk s ILE 38 CO 0.07 0.17 0.29 1.41 0.00 0.00 0.00 174.94 176.88 3mjk n HIS 39 N 4.67 0.00 -3.74 3.97 8.25 -1.26 -5.02 115.22 122.09 3mjk n HIS 39 Ca -0.16 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.25 3mjk n HIS 39 Cb 0.47 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.56 3mjk n HIS 39 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3mjk s SER 40 N -1.08 -0.23 0.27 0.41 1.04 -1.26 -4.90 113.70 107.95 3mjk s SER 40 Ca 0.02 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.03 3mjk s SER 40 Cb 0.03 0.54 0.38 0.00 0.10 0.00 0.00 66.02 67.07 3mjk s SER 40 CO 0.13 -0.97 1.91 0.40 0.98 0.00 0.00 173.24 175.68 3mjk h ILE 41 N 2.00 1.15 -0.51 -1.02 1.08 -1.97 -0.43 117.51 117.80 3mjk h ILE 41 Ca -0.23 -0.42 -0.05 0.00 -0.39 0.00 0.00 64.86 63.77 3mjk h ILE 41 Cb 1.24 -0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 3mjk h ILE 41 CO 0.26 0.22 0.10 -0.09 -0.69 0.00 0.00 178.15 177.95 3mjk h ARG 42 N 1.22 0.80 -0.29 2.37 2.43 -1.99 0.15 114.38 119.06 3mjk h ARG 42 Ca 0.40 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.30 3mjk h ARG 42 Cb 0.05 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3mjk h ARG 42 CO -0.13 0.74 -0.24 -0.44 -1.51 0.00 0.00 179.97 178.39 3mjk h ASP 43 N 0.76 0.57 -0.23 -3.80 3.45 -1.63 -2.53 116.42 113.00 3mjk h ASP 43 Ca 0.16 -0.19 -0.10 0.00 0.43 0.00 0.00 57.03 57.34 3mjk h ASP 43 Cb 0.33 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.92 3mjk h ASP 43 CO 0.00 0.80 -0.17 0.25 -1.57 0.00 0.00 179.24 178.55 3mjk h LEU 44 N 0.50 0.66 0.63 1.55 6.46 0.50 -2.53 115.31 123.07 3mjk h LEU 44 Ca 0.07 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.59 3mjk h LEU 44 Cb 0.68 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.43 3mjk h LEU 44 CO 0.05 0.84 -0.30 1.56 -0.62 0.00 0.00 178.44 179.97 3mjk h GLN 45 N 0.59 -0.81 0.00 1.25 4.20 -0.45 -3.08 115.11 116.82 3mjk h GLN 45 Ca 0.09 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3mjk h GLN 45 Cb 0.63 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.59 3mjk h GLN 45 CO 0.04 -0.54 0.00 0.54 -0.67 0.00 0.00 178.83 178.20 3mjk n ARG 46 N -4.76 0.00 0.00 1.46 1.74 -0.98 0.51 116.66 114.62 3mjk n ARG 46 Ca -0.10 0.95 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 3mjk n ARG 46 Cb 0.33 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3mjk n ARG 46 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3mjk n LEU 47 N -2.85 0.00 0.07 0.55 4.77 -0.96 -3.11 117.00 115.47 3mjk n LEU 47 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3mjk n LEU 47 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3mjk n LEU 47 CO 0.00 0.00 -0.04 -0.11 -1.33 0.00 0.00 177.39 175.91 3mjk n LEU 48 N -0.36 0.69 0.00 2.23 -0.00 0.18 -4.97 117.00 114.77 3mjk n LEU 48 Ca 0.00 0.21 -0.00 0.00 -0.00 0.00 0.00 56.01 56.22 3mjk n LEU 48 Cb 0.00 -0.12 -0.00 0.00 -0.00 0.00 0.00 43.42 43.30 3mjk n LEU 48 CO 0.00 -0.70 0.17 1.05 -0.00 0.00 0.00 177.39 177.91 3mjk h GLU 49 N 0.00 -0.00 0.00 1.96 4.11 -0.04 -3.51 114.58 117.10 3mjk h GLU 49 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3mjk h GLU 49 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3mjk h GLU 49 CO 0.00 -0.00 0.00 1.51 0.07 0.00 0.00 179.01 180.59 3mjk n ILE 88 N -2.02 0.00 -2.58 -1.06 0.13 -1.26 -4.97 119.36 107.59 3mjk n ILE 88 Ca -0.00 0.49 -0.41 0.00 -1.10 0.00 0.00 62.75 61.73 3mjk n ILE 88 Cb 0.00 -1.37 -0.04 0.00 -0.84 0.00 0.00 39.64 37.39 3mjk n ILE 88 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 3mjk s GLU 89 N 0.00 4.66 0.10 9.51 2.12 -1.26 -5.01 118.70 128.83 3mjk s GLU 89 Ca 0.00 1.65 -0.21 0.00 0.36 0.00 0.00 54.97 56.78 3mjk s GLU 89 Cb 0.00 -3.28 -0.07 0.00 0.26 0.00 0.00 34.13 31.04 3mjk s GLU 89 CO 0.00 0.20 0.62 -2.00 -0.54 0.00 0.00 175.26 173.54 3mjk s GLU 90 N -0.64 4.28 0.27 4.30 2.12 -1.26 -5.03 118.70 122.75 3mjk s GLU 90 Ca 0.47 0.83 -0.30 0.00 0.36 0.00 0.00 54.97 56.33 3mjk s GLU 90 Cb -0.28 -3.21 -0.10 0.00 0.26 0.00 0.00 34.13 30.79 3mjk s GLU 90 CO 0.35 0.61 1.40 0.00 -0.54 0.00 0.00 175.26 177.07 3mjk s ALA 91 N -1.15 3.58 -0.26 6.30 0.00 -1.26 -5.00 121.76 123.97 3mjk s ALA 91 Ca 0.32 1.31 -0.10 0.00 0.00 0.00 0.00 51.96 53.48 3mjk s ALA 91 Cb -0.20 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 3mjk s ALA 91 CO 0.21 -0.72 0.16 0.08 0.00 0.00 0.00 175.76 175.49 3mjk s VAL 92 N -0.34 5.15 0.36 0.00 1.01 -1.26 -4.94 120.40 120.38 3mjk s VAL 92 Ca 0.56 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.37 3mjk s VAL 92 Cb -0.41 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 3mjk s VAL 92 CO 0.46 0.31 1.35 -2.16 0.00 0.00 0.00 175.10 175.06 3mjk s PRO 93 N 1.44 4.22 -0.21 2.72 0.04 -1.26 -4.95 135.00 137.00 3mjk s PRO 93 Ca 0.07 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 63.11 3mjk s PRO 93 Cb -0.15 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.41 3mjk s PRO 93 CO 0.07 -0.33 1.10 0.00 0.04 0.00 0.00 177.00 177.88 3mjk s ALA 94 N -1.16 3.67 0.40 8.56 0.00 -1.26 -5.01 121.76 126.97 3mjk s ALA 94 Ca 0.51 0.26 -0.25 0.00 0.00 0.00 0.00 51.96 52.48 3mjk s ALA 94 Cb -0.41 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.06 3mjk s ALA 94 CO 0.55 -1.07 1.16 0.08 0.00 0.00 0.00 175.76 176.48 3mjk s VAL 95 N 3.24 3.22 -0.45 0.00 1.01 -1.26 -2.91 120.40 123.24 3mjk s VAL 95 Ca 0.47 1.00 -0.28 0.00 0.00 0.00 0.00 61.98 63.17 3mjk s VAL 95 Cb -0.17 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 3mjk s VAL 95 CO 0.09 0.08 1.60 0.00 0.00 0.00 0.00 175.10 176.87 3mjk n LYS 97 N 8.48 0.77 -2.68 0.00 2.85 -0.60 -4.80 118.16 122.18 3mjk n LYS 97 Ca 0.18 -1.63 -0.41 0.00 -1.05 0.00 0.00 58.31 55.41 3mjk n LYS 97 Cb 0.48 2.12 -0.05 0.00 -0.65 0.00 0.00 35.03 36.94 3mjk n LYS 97 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3mjk s THR 98 N -2.13 4.24 -0.03 0.58 2.01 -1.26 -0.49 115.64 118.56 3mjk s THR 98 Ca 0.18 1.97 -0.11 0.00 0.31 0.00 0.00 61.69 64.04 3mjk s THR 98 Cb -0.03 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.24 3mjk s THR 98 CO 0.07 0.36 0.25 -0.13 -0.69 0.00 0.00 174.62 174.48 3mjk s ARG 99 N -0.41 0.53 0.16 4.92 0.52 -0.67 -4.92 118.95 119.08 3mjk s ARG 99 Ca 0.46 -0.11 -0.29 0.00 -0.52 0.00 0.00 55.73 55.27 3mjk s ARG 99 Cb -0.25 0.24 -0.07 0.00 0.52 0.00 0.00 34.95 35.38 3mjk s ARG 99 CO 0.32 -0.13 0.90 0.95 0.02 0.00 0.00 175.30 177.36 3mjk s THR 100 N -0.99 4.36 0.24 0.02 -4.23 -1.26 -0.82 115.64 112.95 3mjk s THR 100 Ca -0.11 1.97 0.03 0.00 -1.18 0.00 0.00 61.69 62.40 3mjk s THR 100 Cb -0.05 -4.27 -0.05 0.00 1.34 0.00 0.00 72.50 69.46 3mjk s THR 100 CO 0.03 0.42 0.02 0.68 -0.54 0.00 0.00 174.62 175.22 3mjk s VAL 101 N -0.59 0.94 -0.10 2.29 -7.23 0.17 -4.91 120.40 110.97 3mjk s VAL 101 Ca 0.42 -2.02 -0.18 0.00 -1.81 0.00 0.00 61.98 58.40 3mjk s VAL 101 Cb -0.24 -2.42 -0.05 0.00 0.56 0.00 0.00 36.38 34.24 3mjk s VAL 101 CO 0.29 -0.25 0.46 -0.63 -0.31 0.00 0.00 175.10 174.66 3mjk s ILE 102 N -3.48 5.15 -0.19 -0.62 -1.09 -1.26 -0.86 121.20 118.85 3mjk s ILE 102 Ca 0.30 0.93 -0.04 0.00 -2.23 0.00 0.00 60.65 59.62 3mjk s ILE 102 Cb 0.06 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 3mjk s ILE 102 CO 0.10 0.37 -0.03 -0.47 -1.23 0.00 0.00 174.94 173.68 3mjk s TYR 103 N 0.33 2.99 -0.39 3.97 5.04 0.21 -4.95 117.35 124.54 3mjk s TYR 103 Ca 0.25 -0.61 -0.17 0.00 -2.44 0.00 0.00 57.07 54.10 3mjk s TYR 103 Cb -0.15 -2.05 0.01 0.00 0.35 0.00 0.00 41.96 40.11 3mjk s TYR 103 CO 0.11 -0.31 0.44 -2.00 -1.34 0.00 0.00 175.55 172.44 3mjk s GLU 104 N 1.01 3.30 -0.05 4.97 2.12 -1.26 -0.94 118.70 127.85 3mjk s GLU 104 Ca 0.01 -0.57 -0.35 0.00 0.36 0.00 0.00 54.97 54.42 3mjk s GLU 104 Cb -0.15 -3.90 -0.13 0.00 0.26 0.00 0.00 34.13 30.22 3mjk s GLU 104 CO 0.01 -0.75 1.80 -0.89 -0.54 0.00 0.00 175.26 174.89 3mjk n ILE 105 N 5.41 0.44 -2.58 -3.70 2.08 -0.65 -4.90 119.36 115.46 3mjk n ILE 105 Ca -0.07 -0.08 -0.41 0.00 0.56 0.00 0.00 62.75 62.75 3mjk n ILE 105 Cb 0.48 -1.73 -0.04 0.00 -0.75 0.00 0.00 39.64 37.60 3mjk n ILE 105 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 3mjk s PRO 106 N 3.35 4.58 0.16 0.38 0.02 -1.26 -4.95 135.00 137.28 3mjk s PRO 106 Ca 0.90 1.62 -0.21 0.00 0.02 0.00 0.00 61.00 63.34 3mjk s PRO 106 Cb -0.73 -3.34 0.07 0.00 0.02 0.00 0.00 34.50 30.52 3mjk s PRO 106 CO 0.50 0.02 1.62 0.00 -0.33 0.00 0.00 177.00 178.81 3mjk h ARG 107 N 5.85 -0.18 -0.74 5.54 3.08 -1.93 0.85 114.38 126.85 3mjk h ARG 107 Ca -0.43 0.01 0.21 0.00 0.07 0.00 0.00 59.98 59.85 3mjk h ARG 107 Cb 1.21 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 3mjk h ARG 107 CO 0.75 -0.12 0.64 0.66 -1.07 0.00 0.00 179.97 180.82 3mjk h SER 108 N -0.19 0.00 0.29 7.04 4.64 -1.93 1.48 113.55 124.87 3mjk h SER 108 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3mjk h SER 108 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3mjk h SER 108 CO -0.47 0.00 -0.00 1.67 -0.87 0.00 0.00 176.83 177.16 3mjk n GLN 109 N -3.93 0.72 -0.06 4.77 7.27 0.29 -3.81 117.38 122.63 3mjk n GLN 109 Ca 0.15 -0.01 -0.09 0.00 0.07 0.00 0.00 57.00 57.12 3mjk n GLN 109 Cb 0.90 -1.50 -0.05 0.00 2.41 0.00 0.00 30.24 32.00 3mjk n GLN 109 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3mjk n VAL 110 N -1.13 0.66 -3.15 1.69 0.31 0.49 -4.94 118.33 112.26 3mjk n VAL 110 Ca 0.19 -0.24 0.05 0.00 -0.01 0.00 0.00 64.34 64.34 3mjk n VAL 110 Cb 0.18 -1.04 -0.01 0.00 -0.91 0.00 0.00 33.84 32.06 3mjk n VAL 110 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3mjk s ASP 111 N -5.29 -0.60 0.00 4.52 3.68 -0.41 -5.06 116.67 113.51 3mjk s ASP 111 Ca -0.16 0.29 0.17 0.00 2.13 0.00 0.00 52.55 54.98 3mjk s ASP 111 Cb 0.04 1.47 0.61 0.00 -1.45 0.00 0.00 42.92 43.59 3mjk s ASP 111 CO 0.25 -0.11 1.45 -0.81 0.13 0.00 0.00 175.17 176.08 3mjk n PRO 112 N 5.39 1.70 -0.29 4.34 -0.04 -1.25 -3.95 135.00 140.89 3mjk n PRO 112 Ca -0.02 -1.06 0.09 0.00 -0.04 0.00 0.00 63.50 62.46 3mjk n PRO 112 Cb 0.54 -1.34 0.20 0.00 -0.04 0.00 0.00 33.50 32.87 3mjk n PRO 112 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3mjk n THR 113 N 0.31 2.12 -3.58 0.52 -2.24 -1.26 -5.00 114.28 105.15 3mjk n THR 113 Ca 0.14 -2.11 -0.06 0.00 -2.27 0.00 0.00 64.05 59.75 3mjk n THR 113 Cb 0.30 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.26 3mjk n THR 113 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mjk s SER 114 N -2.40 -0.24 0.00 3.42 1.04 -1.25 -5.07 113.70 109.19 3mjk s SER 114 Ca 0.38 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.72 3mjk s SER 114 Cb 0.32 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3mjk s SER 114 CO 0.06 -0.54 0.12 0.00 0.98 0.00 0.00 173.24 173.85 3mjk n ALA 115 N -0.27 0.28 0.08 5.32 0.00 -1.26 -4.86 120.51 119.80 3mjk n ALA 115 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3mjk n ALA 115 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3mjk n ALA 115 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3mjk n ASN 116 N 0.00 3.85 -4.21 0.00 6.94 -1.26 -4.83 115.26 115.74 3mjk n ASN 116 Ca 0.00 -2.03 -0.15 0.00 -0.02 0.00 0.00 54.58 52.38 3mjk n ASN 116 Cb 0.32 -0.77 -0.10 0.00 -2.36 0.00 0.00 39.78 36.87 3mjk n ASN 116 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3mjk s PHE 117 N 0.21 1.38 -0.01 -2.53 -0.12 -1.26 -4.58 117.98 111.06 3mjk s PHE 117 Ca 0.00 -1.30 0.07 0.00 -0.05 0.00 0.00 56.93 55.65 3mjk s PHE 117 Cb 0.00 -0.74 -0.02 0.00 -0.63 0.00 0.00 43.02 41.63 3mjk s PHE 117 CO 0.00 -0.50 -0.23 -1.17 -0.05 0.00 0.00 175.22 173.26 3mjk s LEU 118 N -3.25 2.06 -0.15 -1.99 0.20 0.17 -4.94 118.68 110.79 3mjk s LEU 118 Ca 0.38 -0.44 -0.03 0.00 0.69 0.00 0.00 54.13 54.73 3mjk s LEU 118 Cb 0.07 -1.19 -0.03 0.00 -0.43 0.00 0.00 46.19 44.61 3mjk s LEU 118 CO 0.14 0.28 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.80 3mjk s ILE 119 N -0.59 3.85 -0.03 6.68 1.01 -1.26 0.48 121.20 131.34 3mjk s ILE 119 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.37 3mjk s ILE 119 Cb -0.09 -2.68 0.03 0.00 0.01 0.00 0.00 42.46 39.73 3mjk s ILE 119 CO -0.00 0.50 0.01 0.86 0.00 0.00 0.00 174.94 176.30 3mjk s TRP 120 N 0.31 0.30 0.51 3.97 -0.00 -0.23 -3.08 118.94 120.72 3mjk s TRP 120 Ca -0.04 0.01 -0.19 0.00 -0.00 0.00 0.00 56.10 55.88 3mjk s TRP 120 Cb -0.14 -0.42 -0.07 0.00 -0.00 0.00 0.00 33.47 32.83 3mjk s TRP 120 CO 0.03 -0.14 1.05 -1.25 -0.00 0.00 0.00 176.95 176.64 3mjk s PRO 121 N 1.13 3.67 0.33 5.86 0.04 -1.26 -0.03 135.00 144.74 3mjk s PRO 121 Ca -0.08 1.37 0.18 0.00 0.04 0.00 0.00 61.00 62.50 3mjk s PRO 121 Cb -0.13 -2.07 0.33 0.00 0.04 0.00 0.00 34.50 32.66 3mjk s PRO 121 CO -0.02 -0.54 1.57 -1.00 0.04 0.00 0.00 177.00 177.04 3mjk h PRO 122 N 1.34 0.00 -4.16 0.56 0.13 -1.95 -3.46 132.00 124.46 3mjk h PRO 122 Ca -0.49 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 3mjk h PRO 122 Cb 1.23 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.15 3mjk h PRO 122 CO 0.58 0.41 -0.71 0.00 -0.23 0.00 0.00 178.00 178.06 3mjk s VAL 124 N -1.73 0.41 0.25 0.00 -7.23 -0.11 -4.96 120.40 107.03 3mjk s VAL 124 Ca -0.12 -1.64 -0.22 0.00 -1.81 0.00 0.00 61.98 58.19 3mjk s VAL 124 Cb -0.08 -1.29 -0.09 0.00 0.56 0.00 0.00 36.38 35.48 3mjk s VAL 124 CO -0.02 -0.81 0.79 -1.61 -0.31 0.00 0.00 175.10 173.15 3mjk s GLU 125 N -3.25 4.38 0.01 4.82 2.02 -1.26 0.65 118.70 126.06 3mjk s GLU 125 Ca 0.03 1.03 -0.11 0.00 0.02 0.00 0.00 54.97 55.94 3mjk s GLU 125 Cb 0.02 -2.89 0.01 0.00 0.10 0.00 0.00 34.13 31.38 3mjk s GLU 125 CO -0.06 0.37 0.23 0.14 0.02 0.00 0.00 175.26 175.97 3mjk s VAL 126 N -1.52 0.08 -0.08 2.63 -7.23 -0.04 -4.87 120.40 109.37 3mjk s VAL 126 Ca 0.45 -0.66 -0.17 0.00 -1.81 0.00 0.00 61.98 59.79 3mjk s VAL 126 Cb -0.18 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 3mjk s VAL 126 CO 0.22 -0.36 0.44 -0.54 -0.31 0.00 0.00 175.10 174.55 3mjk s LYS 127 N -1.75 4.20 0.02 4.82 -0.14 -1.26 0.42 119.74 126.05 3mjk s LYS 127 Ca -0.11 0.41 -0.05 0.00 -1.36 0.00 0.00 55.97 54.86 3mjk s LYS 127 Cb -0.05 -3.36 -0.01 0.00 -1.68 0.00 0.00 37.83 32.73 3mjk s LYS 127 CO 0.01 0.34 0.08 1.03 -0.76 0.00 0.00 175.35 176.05 3mjk s ARG 128 N 0.03 0.50 0.03 1.68 1.81 -0.00 -0.08 118.95 122.92 3mjk s ARG 128 Ca 0.24 -0.64 -0.30 0.00 -1.72 0.00 0.00 55.73 53.31 3mjk s ARG 128 Cb -0.16 0.20 -0.07 0.00 -0.45 0.00 0.00 34.95 34.47 3mjk s ARG 128 CO 0.11 -0.12 1.49 0.00 -0.68 0.00 0.00 175.30 176.10 3mjk s THR 130 N 2.37 0.12 0.00 0.00 -4.23 0.36 -4.95 115.64 109.30 3mjk s THR 130 Ca 0.67 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3mjk s THR 130 Cb -0.35 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.52 3mjk s THR 130 CO 0.29 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 3mjk n GLY 131 N -0.07 -1.43 3.24 3.99 0.00 -1.26 -1.55 105.19 108.11 3mjk n GLY 131 Ca -0.07 -2.23 -0.14 0.00 0.00 0.00 0.00 46.02 43.59 3mjk n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mjk n ASN 134 N 1.46 -0.11 -4.79 0.00 3.02 -1.26 -4.24 115.26 109.35 3mjk n ASN 134 Ca -0.15 0.33 -0.25 0.00 -0.03 0.00 0.00 54.58 54.48 3mjk n ASN 134 Cb 0.53 -0.08 -0.05 0.00 -0.61 0.00 0.00 39.78 39.56 3mjk n ASN 134 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3mjk s THR 135 N -5.20 4.40 -0.07 3.41 -4.23 -1.26 -5.00 115.64 107.68 3mjk s THR 135 Ca -0.03 -1.18 0.31 0.00 -1.18 0.00 0.00 61.69 59.61 3mjk s THR 135 Cb 0.04 -3.27 0.36 0.00 1.34 0.00 0.00 72.50 70.98 3mjk s THR 135 CO 0.14 -0.16 1.90 -1.28 -0.54 0.00 0.00 174.62 174.68 3mjk h SER 136 N 2.27 0.00 0.39 3.99 0.87 -1.98 -2.87 113.55 116.22 3mjk h SER 136 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 3mjk h SER 136 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3mjk h SER 136 CO 0.62 0.00 0.00 -1.54 -0.53 0.00 0.00 176.83 175.38 3mjk n SER 137 N -2.94 0.00 -4.26 6.23 3.41 -1.26 -4.67 113.62 110.13 3mjk n SER 137 Ca 0.01 0.16 -0.28 0.00 -0.26 0.00 0.00 58.87 58.51 3mjk n SER 137 Cb 0.32 -0.34 -0.15 0.00 -0.26 0.00 0.00 64.21 63.78 3mjk n SER 137 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3mjk s VAL 138 N -2.69 1.77 0.12 -3.33 1.01 -1.09 -4.74 120.40 111.46 3mjk s VAL 138 Ca 0.14 -1.08 0.10 0.00 0.00 0.00 0.00 61.98 61.14 3mjk s VAL 138 Cb 0.11 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3mjk s VAL 138 CO 0.28 0.39 -0.24 -0.54 0.00 0.00 0.00 175.10 174.99 3mjk s LYS 139 N -0.81 1.55 -0.47 2.72 3.01 -0.81 -4.36 119.74 120.58 3mjk s LYS 139 Ca 0.09 -1.28 -0.28 0.00 -1.01 0.00 0.00 55.97 53.49 3mjk s LYS 139 Cb -0.09 -1.98 0.03 0.00 -1.01 0.00 0.00 37.83 34.79 3mjk s LYS 139 CO 0.00 0.46 1.10 0.00 0.51 0.00 0.00 175.35 177.43 3mjk s GLN 141 N 4.32 1.89 0.17 0.00 -1.52 0.99 -4.83 119.66 120.69 3mjk s GLN 141 Ca 0.46 -1.50 -0.16 0.00 -1.95 0.00 0.00 55.36 52.21 3mjk s GLN 141 Cb -0.08 -1.98 -0.07 0.00 -0.22 0.00 0.00 33.01 30.66 3mjk s GLN 141 CO 0.30 0.38 0.60 -1.25 -0.25 0.00 0.00 175.29 175.08 3mjk s PRO 142 N -3.19 4.06 0.00 2.91 0.04 -1.26 0.46 135.00 138.01 3mjk s PRO 142 Ca 0.27 0.60 0.10 0.00 0.04 0.00 0.00 61.00 62.01 3mjk s PRO 142 Cb -0.07 -2.90 -0.09 0.00 0.04 0.00 0.00 34.50 31.47 3mjk s PRO 142 CO 0.15 0.45 0.43 -1.13 0.04 0.00 0.00 177.00 176.94 3mjk n SER 143 N 0.75 0.54 -3.66 6.66 3.41 0.14 -4.85 113.62 116.60 3mjk n SER 143 Ca -0.04 -0.77 -0.07 0.00 -0.26 0.00 0.00 58.87 57.73 3mjk n SER 143 Cb 0.52 0.95 -0.08 0.00 -0.26 0.00 0.00 64.21 65.33 3mjk n SER 143 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3mjk s ARG 144 N -1.86 0.38 0.13 4.33 0.52 -1.22 -4.94 118.95 116.28 3mjk s ARG 144 Ca 0.04 1.12 0.11 0.00 -0.52 0.00 0.00 55.73 56.48 3mjk s ARG 144 Cb 0.07 0.44 -0.04 0.00 0.52 0.00 0.00 34.95 35.94 3mjk s ARG 144 CO 0.38 -0.24 -0.26 0.54 0.02 0.00 0.00 175.30 175.74 3mjk s VAL 145 N 2.65 2.29 -0.07 3.52 0.11 -1.26 -0.48 120.40 127.16 3mjk s VAL 145 Ca -0.03 -1.76 0.05 0.00 -2.93 0.00 0.00 61.98 57.31 3mjk s VAL 145 Cb -0.12 -2.02 -0.01 0.00 -1.53 0.00 0.00 36.38 32.71 3mjk s VAL 145 CO -0.14 0.08 -0.23 -2.28 -3.33 0.00 0.00 175.10 169.20 3mjk s HIS 146 N -1.09 2.37 -0.03 1.54 2.46 0.88 -4.94 115.29 116.48 3mjk s HIS 146 Ca 0.14 -0.81 0.07 0.00 0.47 0.00 0.00 55.06 54.93 3mjk s HIS 146 Cb -0.10 -1.57 -0.02 0.00 -0.13 0.00 0.00 32.58 30.76 3mjk s HIS 146 CO 0.06 -0.29 -0.23 -1.01 -2.47 0.00 0.00 174.74 170.81 3mjk s HIS 147 N 0.07 2.44 0.19 3.88 3.76 -1.26 -1.07 115.29 123.29 3mjk s HIS 147 Ca -0.10 -0.36 -0.16 0.00 -0.15 0.00 0.00 55.06 54.30 3mjk s HIS 147 Cb -0.15 -1.53 0.02 0.00 1.11 0.00 0.00 32.58 32.03 3mjk s HIS 147 CO 0.05 0.03 0.48 -0.98 -0.85 0.00 0.00 174.74 173.48 3mjk s ARG 148 N -0.68 1.34 0.01 1.40 1.70 -0.85 -5.00 118.95 116.89 3mjk s ARG 148 Ca 0.11 -0.92 0.01 0.00 -0.47 0.00 0.00 55.73 54.46 3mjk s ARG 148 Cb -0.10 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 3mjk s ARG 148 CO -0.00 -0.56 0.04 -1.12 -1.08 0.00 0.00 175.30 172.57 3mjk s SER 149 N -2.89 5.34 0.09 -2.89 0.01 -1.26 -0.60 113.70 111.50 3mjk s SER 149 Ca 0.11 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.39 3mjk s SER 149 Cb -0.00 -1.44 -0.04 0.00 0.21 0.00 0.00 66.02 64.75 3mjk s SER 149 CO -0.02 0.26 -0.02 0.68 0.41 0.00 0.00 173.24 174.54 3mjk s VAL 150 N -1.18 0.37 -0.08 3.43 -7.23 -0.10 -4.95 120.40 110.68 3mjk s VAL 150 Ca 0.22 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 3mjk s VAL 150 Cb -0.12 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 3mjk s VAL 150 CO 0.13 -0.83 -0.11 -1.59 -0.31 0.00 0.00 175.10 172.39 3mjk s LYS 151 N -3.92 2.81 0.29 4.82 -2.85 -1.26 -0.04 119.74 119.60 3mjk s LYS 151 Ca 0.13 -0.64 0.08 0.00 -1.00 0.00 0.00 55.97 54.54 3mjk s LYS 151 Cb 0.07 -2.52 -0.06 0.00 -2.06 0.00 0.00 37.83 33.26 3mjk s LYS 151 CO -0.05 0.54 -0.09 0.14 0.10 0.00 0.00 175.35 175.98 3mjk s VAL 152 N -0.48 1.94 -0.08 1.79 -7.23 -0.62 -4.91 120.40 110.81 3mjk s VAL 152 Ca 0.07 -2.19 -0.11 0.00 -1.81 0.00 0.00 61.98 57.94 3mjk s VAL 152 Cb -0.12 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 3mjk s VAL 152 CO 0.02 -0.30 0.26 0.00 -0.31 0.00 0.00 175.10 174.76 3mjk s ALA 153 N -2.82 3.77 -0.28 1.32 0.00 0.95 -1.02 121.76 123.69 3mjk s ALA 153 Ca 0.30 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.71 3mjk s ALA 153 Cb 0.02 -2.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 3mjk s ALA 153 CO 0.13 0.49 0.12 0.21 0.00 0.00 0.00 175.76 176.71 3mjk s LYS 154 N -0.83 3.54 -0.05 0.00 2.20 0.72 -1.07 119.74 124.24 3mjk s LYS 154 Ca 0.18 -0.57 0.05 0.00 -0.36 0.00 0.00 55.97 55.28 3mjk s LYS 154 Cb -0.14 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.70 3mjk s LYS 154 CO 0.07 -0.29 -0.21 0.08 -0.36 0.00 0.00 175.35 174.65 3mjk s VAL 155 N 1.63 2.48 0.07 4.02 1.01 0.18 -1.78 120.40 128.01 3mjk s VAL 155 Ca 0.06 -0.93 -0.26 0.00 0.00 0.00 0.00 61.98 60.85 3mjk s VAL 155 Cb -0.16 -1.93 0.08 0.00 0.00 0.00 0.00 36.38 34.37 3mjk s VAL 155 CO 0.06 0.57 0.72 -1.83 0.00 0.00 0.00 175.10 174.62 3mjk s GLU 156 N -0.40 1.08 -0.30 2.72 -1.05 -0.50 0.46 118.70 120.70 3mjk s GLU 156 Ca 0.04 -0.33 -0.12 0.00 -0.15 0.00 0.00 54.97 54.41 3mjk s GLU 156 Cb -0.12 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 3mjk s GLU 156 CO 0.02 -0.46 0.21 0.71 0.95 0.00 0.00 175.26 176.69 3mjk s TYR 157 N -3.24 3.22 -0.49 4.83 4.12 -1.26 0.48 117.35 125.03 3mjk s TYR 157 Ca 0.01 0.02 -0.08 0.00 0.02 0.00 0.00 57.07 57.04 3mjk s TYR 157 Cb -0.01 -2.42 0.12 0.00 -1.52 0.00 0.00 41.96 38.14 3mjk s TYR 157 CO -0.09 -0.23 0.35 0.08 0.02 0.00 0.00 175.55 175.67 3mjk s VAL 158 N 1.76 4.09 -0.50 0.71 1.01 0.47 -4.75 120.40 123.18 3mjk s VAL 158 Ca 0.07 -1.93 -0.23 0.00 0.00 0.00 0.00 61.98 59.88 3mjk s VAL 158 Cb -0.16 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.55 3mjk s VAL 158 CO 0.11 -0.78 0.64 0.54 0.00 0.00 0.00 175.10 175.61 3mjk n ARG 159 N 4.73 -2.02 0.00 2.72 1.74 -1.26 -2.00 116.66 120.57 3mjk n ARG 159 Ca -0.05 1.64 0.00 0.00 -0.77 0.00 0.00 57.85 58.67 3mjk n ARG 159 Cb 0.41 -3.78 0.00 0.00 -1.02 0.00 0.00 32.46 28.07 3mjk n ARG 159 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mjk n LYS 160 N -0.60 0.00 -4.04 5.56 5.02 -1.26 -4.94 118.16 117.90 3mjk n LYS 160 Ca -0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.93 3mjk n LYS 160 Cb 0.59 -2.95 -0.06 0.00 -0.02 0.00 0.00 35.03 32.58 3mjk n LYS 160 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3mjk s LYS 161 N 0.00 3.18 -0.19 1.97 1.02 -0.85 -5.06 119.74 119.81 3mjk s LYS 161 Ca 0.00 -0.43 -0.24 0.00 0.02 0.00 0.00 55.97 55.32 3mjk s LYS 161 Cb 0.00 -2.94 -0.01 0.00 -0.52 0.00 0.00 37.83 34.36 3mjk s LYS 161 CO 0.00 0.66 0.79 -1.25 -0.92 0.00 0.00 175.35 174.63 3mjk s PRO 162 N -1.76 4.25 -0.09 -1.68 0.04 -1.26 0.18 135.00 134.68 3mjk s PRO 162 Ca 0.24 0.92 0.04 0.00 0.04 0.00 0.00 61.00 62.23 3mjk s PRO 162 Cb -0.12 -3.59 -0.01 0.00 0.04 0.00 0.00 34.50 30.82 3mjk s PRO 162 CO 0.15 -0.35 -0.22 0.21 0.04 0.00 0.00 177.00 176.83 3mjk s LYS 163 N 2.25 2.96 -0.21 4.56 2.20 0.18 -4.94 119.74 126.74 3mjk s LYS 163 Ca 0.36 -0.85 -0.01 0.00 -0.36 0.00 0.00 55.97 55.11 3mjk s LYS 163 Cb -0.16 -2.33 0.06 0.00 -1.51 0.00 0.00 37.83 33.89 3mjk s LYS 163 CO 0.11 0.25 -0.00 -1.17 -0.36 0.00 0.00 175.35 174.18 3mjk s LEU 164 N 0.17 1.80 0.11 5.43 0.20 -1.26 -1.41 118.68 123.72 3mjk s LEU 164 Ca -0.13 -0.99 0.08 0.00 0.69 0.00 0.00 54.13 53.79 3mjk s LEU 164 Cb -0.16 -0.85 -0.04 0.00 -0.43 0.00 0.00 46.19 44.71 3mjk s LEU 164 CO 0.07 -0.28 -0.15 -1.59 -0.29 0.00 0.00 176.35 174.11 3mjk s LYS 165 N 1.65 1.90 0.08 1.98 -2.85 -0.73 -4.92 119.74 116.85 3mjk s LYS 165 Ca -0.03 -1.12 -0.17 0.00 -1.00 0.00 0.00 55.97 53.65 3mjk s LYS 165 Cb -0.18 -2.18 -0.07 0.00 -2.06 0.00 0.00 37.83 33.35 3mjk s LYS 165 CO -0.07 0.49 0.53 -1.21 0.10 0.00 0.00 175.35 175.19 3mjk s GLU 166 N -2.14 4.09 0.00 1.78 2.02 -1.26 -0.20 118.70 122.98 3mjk s GLU 166 Ca 0.19 0.61 0.05 0.00 0.02 0.00 0.00 54.97 55.84 3mjk s GLU 166 Cb -0.11 -3.15 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 3mjk s GLU 166 CO 0.11 0.61 -0.17 0.08 0.02 0.00 0.00 175.26 175.91 3mjk s VAL 167 N -1.20 1.32 -0.11 2.63 1.01 -0.19 -4.93 120.40 118.94 3mjk s VAL 167 Ca 0.30 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 3mjk s VAL 167 Cb -0.18 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3mjk s VAL 167 CO 0.18 0.28 0.67 -1.58 0.00 0.00 0.00 175.10 174.66 3mjk s GLN 168 N -0.63 4.37 0.12 2.72 0.74 -1.26 -1.58 119.66 124.14 3mjk s GLN 168 Ca 0.06 0.80 0.08 0.00 0.05 0.00 0.00 55.36 56.34 3mjk s GLN 168 Cb -0.07 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 3mjk s GLN 168 CO 0.00 -0.02 -0.19 0.08 -0.55 0.00 0.00 175.29 174.61 3mjk s VAL 169 N 1.12 1.65 -0.22 1.34 1.01 0.94 -4.95 120.40 121.29 3mjk s VAL 169 Ca 0.35 -1.65 -0.10 0.00 0.00 0.00 0.00 61.98 60.57 3mjk s VAL 169 Cb -0.17 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3mjk s VAL 169 CO 0.15 -0.19 0.14 -0.60 0.00 0.00 0.00 175.10 174.60 3mjk s ARG 170 N -2.24 4.12 0.08 2.72 3.52 -1.26 -0.92 118.95 124.96 3mjk s ARG 170 Ca 0.09 -0.25 0.04 0.00 -0.13 0.00 0.00 55.73 55.48 3mjk s ARG 170 Cb -0.08 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 3mjk s ARG 170 CO 0.05 0.17 0.03 -0.51 -0.81 0.00 0.00 175.30 174.22 3mjk s LEU 171 N 0.73 3.58 -0.07 -0.88 1.43 0.23 -4.97 118.68 118.73 3mjk s LEU 171 Ca 0.08 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 3mjk s LEU 171 Cb -0.12 -2.27 -0.00 0.00 0.03 0.00 0.00 46.19 43.82 3mjk s LEU 171 CO 0.01 0.18 -0.21 -0.70 0.23 0.00 0.00 176.35 175.87 3mjk s GLU 172 N -2.27 2.41 0.02 1.70 2.12 -1.26 -2.00 118.70 119.42 3mjk s GLU 172 Ca 0.26 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.87 3mjk s GLU 172 Cb -0.12 -1.94 -0.02 0.00 0.26 0.00 0.00 34.13 32.32 3mjk s GLU 172 CO 0.19 0.22 -0.08 -1.21 -0.54 0.00 0.00 175.26 173.84 3mjk s GLU 173 N 0.20 0.56 -0.12 4.30 2.02 -0.23 -4.63 118.70 120.81 3mjk s GLU 173 Ca -0.11 -0.54 -0.06 0.00 0.02 0.00 0.00 54.97 54.27 3mjk s GLU 173 Cb -0.15 -0.45 -0.04 0.00 0.10 0.00 0.00 34.13 33.59 3mjk s GLU 173 CO 0.05 0.11 0.12 -1.01 0.02 0.00 0.00 175.26 174.55 3mjk s HIS 174 N -0.82 3.53 -0.09 1.61 3.76 0.88 -0.08 115.29 124.08 3mjk s HIS 174 Ca -0.04 0.47 0.10 0.00 -0.15 0.00 0.00 55.06 55.44 3mjk s HIS 174 Cb -0.07 -1.92 -0.14 0.00 1.11 0.00 0.00 32.58 31.56 3mjk s HIS 174 CO 0.00 0.69 0.07 1.28 -0.85 0.00 0.00 174.74 175.93 3mjk n LEU 175 N 2.05 0.00 -3.86 0.89 4.77 0.37 -4.57 117.00 116.64 3mjk n LEU 175 Ca -0.20 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.67 3mjk n LEU 175 Cb 0.55 0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.77 3mjk n LEU 175 CO 0.31 0.22 -0.15 -1.61 -1.33 0.00 0.00 177.39 174.84 3mjk s GLU 176 N -2.33 0.55 0.12 3.23 2.02 -1.21 -4.95 118.70 116.13 3mjk s GLU 176 Ca -0.05 -0.47 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 3mjk s GLU 176 Cb 0.04 0.23 -0.04 0.00 0.10 0.00 0.00 34.13 34.46 3mjk s GLU 176 CO 0.44 -0.14 0.03 0.00 0.02 0.00 0.00 175.26 175.60 3mjk s ALA 178 N -3.96 -1.41 -0.54 0.00 0.00 0.17 -4.81 121.76 111.22 3mjk s ALA 178 Ca 0.20 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 52.68 3mjk s ALA 178 Cb 0.07 0.33 0.07 0.00 0.00 0.00 0.00 23.12 23.59 3mjk s ALA 178 CO -0.01 -0.49 0.69 0.00 0.00 0.00 0.00 175.76 175.96 3mjk s ALA 180 N 2.84 2.06 -1.97 0.00 0.00 -0.87 -4.91 121.76 118.91 3mjk s ALA 180 Ca 0.16 -1.96 0.16 0.00 0.00 0.00 0.00 51.96 50.31 3mjk s ALA 180 Cb -0.20 0.81 0.12 0.00 0.00 0.00 0.00 23.12 23.86 3mjk s ALA 180 CO 0.11 -0.37 1.00 -2.37 0.00 0.00 0.00 175.76 174.13