#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 0.61 -3.93 0.00 1.02 -1.26 -5.09 120.64 111.99 3mjk n GLU 24 Ca 0.00 -0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.82 3mjk n GLU 24 Cb 0.00 -0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.26 3mjk n GLU 24 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3mjk s ILE 25 N 0.20 1.63 0.08 -3.67 -1.09 -1.26 -5.09 121.20 112.01 3mjk s ILE 25 Ca 0.00 -1.50 -0.28 0.00 -2.23 0.00 0.00 60.65 56.64 3mjk s ILE 25 Cb -0.00 -1.99 -0.15 0.00 -1.58 0.00 0.00 42.46 38.74 3mjk s ILE 25 CO 0.00 -0.28 0.66 -0.81 -1.23 0.00 0.00 174.94 173.29 3mjk n PRO 26 N 4.60 0.00 0.20 2.79 -0.04 -1.26 -4.63 135.00 136.65 3mjk n PRO 26 Ca -0.08 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.54 3mjk n PRO 26 Cb 0.43 -1.04 0.62 0.00 -0.04 0.00 0.00 33.50 33.47 3mjk n PRO 26 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 3mjk h ARG 27 N 1.67 0.00 0.23 0.54 -0.00 -2.01 -1.85 114.38 112.96 3mjk h ARG 27 Ca -0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.64 3mjk h ARG 27 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.17 3mjk h ARG 27 CO 0.51 0.00 -0.12 1.49 -0.00 0.00 0.00 179.97 181.85 3mjk h GLU 28 N 0.00 -0.31 -0.91 0.08 4.81 -2.00 -2.43 114.58 113.82 3mjk h GLU 28 Ca 0.11 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.47 3mjk h GLU 28 Cb 1.27 0.07 -0.13 0.00 0.63 0.00 0.00 28.75 30.60 3mjk h GLU 28 CO -0.00 -0.21 -0.52 0.28 -0.73 0.00 0.00 179.01 177.83 3mjk h VAL 29 N -0.33 0.01 -0.88 0.32 2.07 -1.65 0.44 116.25 116.24 3mjk h VAL 29 Ca -0.03 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.64 3mjk h VAL 29 Cb 0.25 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 29.96 3mjk h VAL 29 CO 0.05 0.00 0.57 0.40 0.02 0.00 0.00 177.57 178.61 3mjk h ILE 30 N -0.05 0.80 -0.35 4.57 2.04 -1.61 0.17 117.51 123.07 3mjk h ILE 30 Ca 0.20 -0.21 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 3mjk h ILE 30 Cb 0.49 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3mjk h ILE 30 CO -0.90 0.11 -0.18 -0.33 0.00 0.00 0.00 178.15 176.86 3mjk h GLU 31 N 0.63 0.65 -0.02 2.37 5.08 0.35 0.15 114.58 123.79 3mjk h GLU 31 Ca 0.45 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3mjk h GLU 31 Cb 0.81 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 3mjk h GLU 31 CO -0.20 0.79 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.49 3mjk h ARG 32 N 0.58 0.05 -0.56 2.33 2.43 0.58 -1.45 114.38 118.34 3mjk h ARG 32 Ca 0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3mjk h ARG 32 Cb 0.63 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 3mjk h ARG 32 CO 0.04 0.55 0.36 -0.07 -1.51 0.00 0.00 179.97 179.34 3mjk h LEU 33 N -0.45 0.65 -0.89 3.80 3.38 -1.15 -1.12 115.31 119.54 3mjk h LEU 33 Ca 0.00 -0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.15 3mjk h LEU 33 Cb 0.54 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.01 3mjk h LEU 33 CO 0.01 0.49 0.40 0.00 0.09 0.00 0.00 178.44 179.43 3mjk h ALA 34 N 1.19 1.43 -1.48 1.53 0.00 -0.62 -2.27 119.26 119.04 3mjk h ALA 34 Ca 0.20 0.15 -0.65 0.00 0.00 0.00 0.00 54.91 54.61 3mjk h ALA 34 Cb -0.06 0.13 -0.37 0.00 0.00 0.00 0.00 17.79 17.49 3mjk h ALA 34 CO -0.04 -0.31 -0.11 2.89 0.00 0.00 0.00 179.25 181.68 3mjk n ARG 35 N -5.02 3.38 -1.64 0.00 1.85 -0.46 -4.91 116.66 109.85 3mjk n ARG 35 Ca 0.22 -4.32 0.00 0.00 -1.00 0.00 0.00 57.85 52.75 3mjk n ARG 35 Cb 0.63 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.77 3mjk n ARG 35 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3mjk n SER 36 N -0.43 0.20 -3.84 2.89 7.64 -0.85 -4.94 113.62 114.29 3mjk n SER 36 Ca 0.42 -0.82 -0.30 0.00 1.01 0.00 0.00 58.87 59.18 3mjk n SER 36 Cb 0.48 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.52 3mjk n SER 36 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3mjk s GLN 37 N -1.47 1.05 -0.16 1.43 -1.52 -1.26 -5.04 119.66 112.70 3mjk s GLN 37 Ca 0.00 -1.22 -0.06 0.00 -1.95 0.00 0.00 55.36 52.13 3mjk s GLN 37 Cb 0.00 -2.40 -0.04 0.00 -0.22 0.00 0.00 33.01 30.35 3mjk s GLN 37 CO 0.00 -0.89 0.04 0.42 -0.25 0.00 0.00 175.29 174.61 3mjk s ILE 38 N 1.41 4.57 0.00 1.08 1.01 -1.26 -4.97 121.20 123.04 3mjk s ILE 38 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.60 3mjk s ILE 38 Cb -0.18 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.27 3mjk s ILE 38 CO -0.17 0.50 0.00 1.41 0.00 0.00 0.00 174.94 176.68 3mjk n HIS 39 N 3.20 0.00 -3.91 3.97 8.25 -1.26 -5.07 115.22 120.40 3mjk n HIS 39 Ca -0.17 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.20 3mjk n HIS 39 Cb 0.53 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.75 -0.15 0.14 0.41 1.04 -1.26 -4.97 113.70 108.16 3mjk s SER 40 Ca 0.00 -0.76 -0.18 0.00 0.48 0.00 0.00 55.95 55.49 3mjk s SER 40 Cb 0.00 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 3mjk s SER 40 CO 0.00 -1.14 1.78 0.40 0.98 0.00 0.00 173.24 175.26 3mjk h ILE 41 N 2.22 1.09 -0.35 -1.02 1.08 -1.99 -0.45 117.51 118.09 3mjk h ILE 41 Ca -0.26 -0.20 0.06 0.00 -0.39 0.00 0.00 64.86 64.07 3mjk h ILE 41 Cb 1.25 0.67 -0.08 0.00 -3.07 0.00 0.00 36.82 35.59 3mjk h ILE 41 CO 0.35 0.09 -0.45 -0.09 -0.69 0.00 0.00 178.15 177.35 3mjk h ARG 42 N 0.41 -0.36 -0.94 2.37 9.65 -2.00 0.50 114.38 124.00 3mjk h ARG 42 Ca 0.11 0.02 0.24 0.00 -1.10 0.00 0.00 59.98 59.25 3mjk h ARG 42 Cb -0.02 0.08 -0.13 0.00 -1.39 0.00 0.00 29.97 28.52 3mjk h ARG 42 CO -0.02 -0.24 0.48 0.22 2.80 0.00 0.00 179.97 183.21 3mjk h ASP 43 N -0.38 0.47 0.77 -3.80 -0.00 -1.76 -0.34 116.42 111.39 3mjk h ASP 43 Ca 0.11 0.15 -0.04 0.00 -0.00 0.00 0.00 57.03 57.26 3mjk h ASP 43 Cb 0.60 0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.03 3mjk h ASP 43 CO -0.55 0.03 -0.40 0.25 -0.00 0.00 0.00 179.24 178.57 3mjk h LEU 44 N 0.46 -0.98 -0.73 2.28 6.46 0.16 -1.56 115.31 121.41 3mjk h LEU 44 Ca 0.61 0.04 0.16 0.00 -0.12 0.00 0.00 57.88 58.57 3mjk h LEU 44 Cb 1.17 0.26 -0.13 0.00 -0.73 0.00 0.00 40.66 41.24 3mjk h LEU 44 CO -0.52 -0.66 -0.03 1.56 -0.62 0.00 0.00 178.44 178.17 3mjk h GLN 45 N -1.08 0.08 0.00 1.25 4.20 -0.38 -0.52 115.11 118.66 3mjk h GLN 45 Ca -0.11 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3mjk h GLN 45 Cb 0.84 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.60 3mjk h GLN 45 CO 0.15 0.05 0.00 -2.13 -0.67 0.00 0.00 178.83 176.24 3mjk n ARG 46 N -5.36 0.00 -0.40 1.46 0.63 -0.21 -0.75 116.66 112.02 3mjk n ARG 46 Ca 0.12 0.42 0.33 0.00 -0.92 0.00 0.00 57.85 57.80 3mjk n ARG 46 Cb 0.44 -1.08 0.61 0.00 0.45 0.00 0.00 32.46 32.87 3mjk n ARG 46 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3mjk h LEU 47 N 0.00 0.31 0.00 6.15 3.38 -0.93 -2.61 115.31 121.61 3mjk h LEU 47 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3mjk h LEU 47 Cb 0.00 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3mjk h LEU 47 CO 0.00 -0.19 0.00 0.18 0.09 0.00 0.00 178.44 178.52 3mjk n LEU 48 N -4.81 0.17 0.04 1.67 4.77 -0.24 -5.01 117.00 113.59 3mjk n LEU 48 Ca 0.36 0.75 0.00 0.00 -0.03 0.00 0.00 56.01 57.09 3mjk n LEU 48 Cb 1.31 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 3mjk n LEU 48 CO 0.17 -0.34 0.00 1.21 -1.33 0.00 0.00 177.39 177.10 3mjk n GLU 49 N -1.51 0.00 0.00 3.23 4.07 0.07 -5.10 120.64 121.40 3mjk n GLU 49 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3mjk n GLU 49 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3mjk n GLU 49 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3mjk n ILE 50 N -2.41 0.00 0.00 6.31 5.41 -1.24 -4.81 119.36 122.62 3mjk n ILE 50 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3mjk n ILE 50 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3mjk n ILE 50 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3mjk n SER 87 N 0.00 0.00 -4.69 4.38 7.64 -1.26 -4.69 113.62 115.00 3mjk n SER 87 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 3mjk n SER 87 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 3mjk n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mjk n ILE 88 N 0.00 3.34 -2.86 0.44 3.06 -1.26 -4.89 119.36 117.20 3mjk n ILE 88 Ca 0.00 -0.36 -0.40 0.00 -2.50 0.00 0.00 62.75 59.49 3mjk n ILE 88 Cb 0.00 -1.29 -0.05 0.00 0.54 0.00 0.00 39.64 38.84 3mjk n ILE 88 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 3mjk s GLU 89 N -3.65 4.61 -0.00 9.51 -1.05 -1.26 -5.01 118.70 121.86 3mjk s GLU 89 Ca 0.77 1.26 -0.30 0.00 -0.15 0.00 0.00 54.97 56.55 3mjk s GLU 89 Cb -0.34 -3.35 -0.04 0.00 -0.44 0.00 0.00 34.13 29.96 3mjk s GLU 89 CO 0.47 0.30 1.13 -2.00 0.95 0.00 0.00 175.26 176.10 3mjk s GLU 90 N -0.22 4.44 0.38 -4.83 2.12 -1.26 -4.97 118.70 114.36 3mjk s GLU 90 Ca 0.42 1.63 -0.26 0.00 0.36 0.00 0.00 54.97 57.12 3mjk s GLU 90 Cb -0.22 -3.45 -0.11 0.00 0.26 0.00 0.00 34.13 30.60 3mjk s GLU 90 CO 0.27 -0.26 1.10 0.00 -0.54 0.00 0.00 175.26 175.82 3mjk n ALA 91 N 4.36 0.48 -2.99 6.30 0.00 -1.26 -4.97 120.51 122.43 3mjk n ALA 91 Ca 0.09 0.29 -0.34 0.00 0.00 0.00 0.00 53.44 53.48 3mjk n ALA 91 Cb 0.48 -2.13 -0.12 0.00 0.00 0.00 0.00 19.45 17.68 3mjk n ALA 91 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3mjk s VAL 92 N -1.19 3.86 0.23 0.00 1.01 -1.26 -4.97 120.40 118.07 3mjk s VAL 92 Ca 0.60 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 3mjk s VAL 92 Cb -0.58 -2.70 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 3mjk s VAL 92 CO 0.59 0.49 1.45 -2.16 0.00 0.00 0.00 175.10 175.46 3mjk s PRO 93 N 0.46 4.27 -0.38 2.72 0.04 -1.26 -4.96 135.00 135.88 3mjk s PRO 93 Ca -0.04 2.29 -0.25 0.00 0.04 0.00 0.00 61.00 63.04 3mjk s PRO 93 Cb -0.14 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.29 3mjk s PRO 93 CO 0.03 -0.44 0.91 0.00 0.04 0.00 0.00 177.00 177.53 3mjk s ALA 94 N 0.23 3.38 0.41 8.56 0.00 -1.26 -5.00 121.76 128.07 3mjk s ALA 94 Ca 0.61 -0.53 -0.24 0.00 0.00 0.00 0.00 51.96 51.80 3mjk s ALA 94 Cb -0.42 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.08 3mjk s ALA 94 CO 0.41 -1.66 1.06 0.08 0.00 0.00 0.00 175.76 175.64 3mjk s VAL 95 N 3.47 3.68 -0.17 0.00 1.01 -1.26 -1.51 120.40 125.62 3mjk s VAL 95 Ca 0.37 1.27 -0.29 0.00 0.00 0.00 0.00 61.98 63.33 3mjk s VAL 95 Cb -0.12 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3mjk s VAL 95 CO 0.20 -0.00 1.82 0.00 0.00 0.00 0.00 175.10 177.12 3mjk n LYS 97 N 7.88 0.17 -2.90 0.00 2.85 -0.04 -4.82 118.16 121.30 3mjk n LYS 97 Ca 0.21 -0.56 -0.41 0.00 -1.05 0.00 0.00 58.31 56.50 3mjk n LYS 97 Cb 0.44 0.87 -0.04 0.00 -0.65 0.00 0.00 35.03 35.66 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 -2.11 4.90 0.03 0.58 2.01 -1.26 -0.61 115.64 119.18 3mjk s THR 98 Ca 0.18 1.64 -0.01 0.00 0.31 0.00 0.00 61.69 63.81 3mjk s THR 98 Cb -0.01 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 3mjk s THR 98 CO 0.00 0.07 -0.02 -0.13 -0.69 0.00 0.00 174.62 173.85 3mjk s ARG 99 N 1.86 0.42 0.18 4.92 0.52 -0.60 -4.91 118.95 121.34 3mjk s ARG 99 Ca 0.39 -0.81 -0.28 0.00 -0.52 0.00 0.00 55.73 54.51 3mjk s ARG 99 Cb -0.17 0.15 -0.08 0.00 0.52 0.00 0.00 34.95 35.37 3mjk s ARG 99 CO 0.14 -0.07 0.89 0.95 0.02 0.00 0.00 175.30 177.23 3mjk s THR 100 N -2.28 4.29 0.37 0.02 -4.23 -1.26 -0.73 115.64 111.81 3mjk s THR 100 Ca -0.08 1.96 0.03 0.00 -1.18 0.00 0.00 61.69 62.42 3mjk s THR 100 Cb -0.04 -4.27 -0.04 0.00 1.34 0.00 0.00 72.50 69.49 3mjk s THR 100 CO -0.04 0.45 0.10 0.68 -0.54 0.00 0.00 174.62 175.27 3mjk s VAL 101 N -0.81 0.80 -0.14 2.29 -7.23 0.94 -4.92 120.40 111.34 3mjk s VAL 101 Ca 0.41 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.48 3mjk s VAL 101 Cb -0.24 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 3mjk s VAL 101 CO 0.29 0.00 0.18 -0.63 -0.31 0.00 0.00 175.10 174.64 3mjk s ILE 102 N -3.28 5.40 -0.18 -0.62 -1.09 -1.26 -2.10 121.20 118.07 3mjk s ILE 102 Ca 0.29 0.31 -0.01 0.00 -2.23 0.00 0.00 60.65 59.01 3mjk s ILE 102 Cb 0.05 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 3mjk s ILE 102 CO 0.15 0.53 -0.13 -0.47 -1.23 0.00 0.00 174.94 173.78 3mjk s TYR 103 N -0.40 2.84 -0.14 3.97 5.04 0.18 -4.96 117.35 123.89 3mjk s TYR 103 Ca 0.14 -1.20 -0.24 0.00 -2.44 0.00 0.00 57.07 53.34 3mjk s TYR 103 Cb -0.12 -1.97 -0.03 0.00 0.35 0.00 0.00 41.96 40.19 3mjk s TYR 103 CO 0.03 -0.60 0.74 -1.21 -1.34 0.00 0.00 175.55 173.17 3mjk s GLU 104 N 1.17 4.33 -0.17 4.97 2.02 -1.26 -0.56 118.70 129.21 3mjk s GLU 104 Ca 0.02 0.88 -0.29 0.00 0.02 0.00 0.00 54.97 55.60 3mjk s GLU 104 Cb -0.14 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 3mjk s GLU 104 CO -0.05 -0.16 1.72 0.42 0.02 0.00 0.00 175.26 177.20 3mjk s ILE 105 N 1.58 3.54 0.05 -1.63 -1.09 -0.73 -4.92 121.20 118.01 3mjk s ILE 105 Ca 0.36 0.62 -0.31 0.00 -2.23 0.00 0.00 60.65 59.09 3mjk s ILE 105 Cb -0.17 -3.53 -0.07 0.00 -1.58 0.00 0.00 42.46 37.11 3mjk s ILE 105 CO 0.14 -0.20 1.43 -2.84 -1.23 0.00 0.00 174.94 172.24 3mjk s PRO 106 N 4.74 4.28 0.24 2.79 0.02 -1.26 -4.89 135.00 140.92 3mjk s PRO 106 Ca 0.76 2.06 -0.04 0.00 0.02 0.00 0.00 61.00 63.80 3mjk s PRO 106 Cb -0.29 -3.46 0.41 0.00 0.02 0.00 0.00 34.50 31.18 3mjk s PRO 106 CO 0.31 -0.55 1.79 -0.09 -0.33 0.00 0.00 177.00 178.13 3mjk h ARG 107 N 7.55 0.67 -0.65 5.54 2.43 -1.94 -1.58 114.38 126.39 3mjk h ARG 107 Ca -0.40 -0.04 0.14 0.00 -0.81 0.00 0.00 59.98 58.86 3mjk h ARG 107 Cb 1.19 -0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 30.49 3mjk h ARG 107 CO 0.89 0.44 0.09 0.66 -1.51 0.00 0.00 179.97 180.54 3mjk h SER 108 N 0.69 -0.11 0.50 -3.80 4.64 -1.90 0.10 113.55 113.66 3mjk h SER 108 Ca 0.40 0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.85 3mjk h SER 108 Cb 0.43 0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3mjk h SER 108 CO -0.28 -0.06 -0.06 1.56 -0.87 0.00 0.00 176.83 177.12 3mjk h GLN 109 N 0.20 0.00 0.16 4.77 4.20 -1.68 -1.85 115.11 120.92 3mjk h GLN 109 Ca 0.35 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.75 3mjk h GLN 109 Cb 0.57 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.36 3mjk h GLN 109 CO -0.49 0.06 -1.50 0.28 -0.67 0.00 0.00 178.83 176.50 3mjk h VAL 110 N 0.00 1.21 -0.46 -0.54 2.07 -0.78 -3.46 116.25 114.30 3mjk h VAL 110 Ca -0.00 -2.78 0.20 0.00 0.82 0.00 0.00 66.70 64.94 3mjk h VAL 110 Cb 0.32 2.86 -0.21 0.00 -1.52 0.00 0.00 31.29 32.74 3mjk h VAL 110 CO 0.01 0.84 0.03 -0.62 0.02 0.00 0.00 177.57 177.85 3mjk s ASP 111 N -7.20 -0.66 0.46 0.57 3.68 -0.46 -5.02 116.67 108.04 3mjk s ASP 111 Ca -0.09 0.37 0.26 0.00 2.13 0.00 0.00 52.55 55.22 3mjk s ASP 111 Cb 0.06 1.53 0.93 0.00 -1.45 0.00 0.00 42.92 43.99 3mjk s ASP 111 CO 0.88 -0.12 1.82 -0.65 0.13 0.00 0.00 175.17 177.23 3mjk h PRO 112 N 7.94 0.00 -0.33 4.34 0.11 -1.57 -3.30 132.00 139.18 3mjk h PRO 112 Ca -0.14 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.89 3mjk h PRO 112 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3mjk h PRO 112 CO -0.03 0.17 -0.10 1.15 -0.21 0.00 0.00 178.00 178.99 3mjk h THR 113 N 0.00 1.28 -3.22 -1.15 2.02 -1.95 -3.47 112.91 106.42 3mjk h THR 113 Ca -0.00 -1.16 -0.45 0.00 0.77 0.00 0.00 66.41 65.56 3mjk h THR 113 Cb 0.75 1.35 -0.14 0.00 -1.74 0.00 0.00 68.15 68.37 3mjk h THR 113 CO 0.02 0.38 -0.58 -0.94 0.37 0.00 0.00 175.52 174.77 3mjk s SER 114 N -6.28 2.04 0.00 4.18 1.04 -1.24 -5.06 113.70 108.37 3mjk s SER 114 Ca -0.13 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 54.81 3mjk s SER 114 Cb 0.09 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3mjk s SER 114 CO 0.80 -0.77 0.86 0.00 0.98 0.00 0.00 173.24 175.11 3mjk n ALA 115 N -0.67 1.77 -0.91 5.32 0.00 -1.26 -4.80 120.51 119.96 3mjk n ALA 115 Ca -0.02 -0.84 -0.22 0.00 0.00 0.00 0.00 53.44 52.36 3mjk n ALA 115 Cb 0.66 -0.37 0.12 0.00 0.00 0.00 0.00 19.45 19.86 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 4.69 -4.24 0.00 6.94 -1.26 -4.91 115.26 116.48 3mjk n ASN 116 Ca 0.00 -3.36 -0.15 0.00 -0.02 0.00 0.00 54.58 51.05 3mjk n ASN 116 Cb 0.65 -0.84 -0.10 0.00 -2.36 0.00 0.00 39.78 37.12 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 -2.79 1.27 -0.06 -2.53 -0.12 -1.26 -4.77 117.98 107.72 3mjk s PHE 117 Ca 0.48 -0.70 0.01 0.00 -0.05 0.00 0.00 56.93 56.66 3mjk s PHE 117 Cb 0.39 -0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 42.10 3mjk s PHE 117 CO 0.06 0.09 -0.05 -1.17 -0.05 0.00 0.00 175.22 174.09 3mjk s LEU 118 N -2.95 3.25 -0.11 -1.99 0.20 -0.32 -4.93 118.68 111.84 3mjk s LEU 118 Ca 0.14 -0.00 -0.02 0.00 0.69 0.00 0.00 54.13 54.94 3mjk s LEU 118 Cb 0.00 -1.73 -0.03 0.00 -0.43 0.00 0.00 46.19 44.00 3mjk s LEU 118 CO 0.01 0.36 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.76 3mjk s ILE 119 N -0.85 3.91 -0.11 6.68 1.01 -1.26 0.27 121.20 130.85 3mjk s ILE 119 Ca 0.13 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 3mjk s ILE 119 Cb -0.11 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 39.75 3mjk s ILE 119 CO 0.02 0.55 0.25 0.86 0.00 0.00 0.00 174.94 176.62 3mjk s TRP 120 N -0.28 -0.36 0.43 3.97 -0.00 -0.89 -2.98 118.94 118.82 3mjk s TRP 120 Ca 0.05 0.85 -0.24 0.00 -0.00 0.00 0.00 56.10 56.75 3mjk s TRP 120 Cb -0.13 0.01 -0.08 0.00 -0.00 0.00 0.00 33.47 33.27 3mjk s TRP 120 CO 0.02 -0.28 1.18 -1.25 -0.00 0.00 0.00 176.95 176.62 3mjk s PRO 121 N 1.71 3.92 0.35 5.86 0.04 -1.26 -0.09 135.00 145.53 3mjk s PRO 121 Ca -0.05 1.83 0.24 0.00 0.04 0.00 0.00 61.00 63.07 3mjk s PRO 121 Cb -0.11 -2.57 0.53 0.00 0.04 0.00 0.00 34.50 32.39 3mjk s PRO 121 CO -0.08 -0.43 1.68 -1.00 0.04 0.00 0.00 177.00 177.20 3mjk h PRO 122 N 2.39 0.00 -3.93 0.56 0.13 -1.94 -3.46 132.00 125.75 3mjk h PRO 122 Ca -0.49 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.52 3mjk h PRO 122 Cb 1.24 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.20 3mjk h PRO 122 CO 0.61 0.00 -0.55 0.00 -0.23 0.00 0.00 178.00 177.83 3mjk s VAL 124 N -3.06 0.13 0.26 0.00 -7.23 0.28 -4.95 120.40 105.83 3mjk s VAL 124 Ca -0.01 -1.57 -0.11 0.00 -1.81 0.00 0.00 61.98 58.47 3mjk s VAL 124 Cb 0.02 -1.68 -0.08 0.00 0.56 0.00 0.00 36.38 35.20 3mjk s VAL 124 CO -0.07 -0.61 0.60 -1.61 -0.31 0.00 0.00 175.10 173.10 3mjk s GLU 125 N -3.95 3.86 -0.14 4.82 2.02 -1.26 0.51 118.70 124.56 3mjk s GLU 125 Ca 0.13 0.39 -0.24 0.00 0.02 0.00 0.00 54.97 55.27 3mjk s GLU 125 Cb 0.06 -2.58 0.06 0.00 0.10 0.00 0.00 34.13 31.77 3mjk s GLU 125 CO -0.05 0.27 0.60 0.14 0.02 0.00 0.00 175.26 176.24 3mjk s VAL 126 N -1.87 0.01 0.01 2.63 -7.23 -0.89 -4.90 120.40 108.16 3mjk s VAL 126 Ca 0.49 -0.06 -0.22 0.00 -1.81 0.00 0.00 61.98 60.38 3mjk s VAL 126 Cb -0.11 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.90 3mjk s VAL 126 CO 0.20 -0.04 0.64 -0.54 -0.31 0.00 0.00 175.10 175.06 3mjk s LYS 127 N -0.44 4.37 0.06 4.82 -0.14 -1.26 -0.04 119.74 127.11 3mjk s LYS 127 Ca -0.06 0.83 -0.03 0.00 -1.36 0.00 0.00 55.97 55.35 3mjk s LYS 127 Cb -0.03 -3.35 -0.03 0.00 -1.68 0.00 0.00 37.83 32.75 3mjk s LYS 127 CO 0.05 0.35 0.04 1.03 -0.76 0.00 0.00 175.35 176.06 3mjk s ARG 128 N -0.17 0.68 -0.28 1.68 1.81 0.09 -0.55 118.95 122.21 3mjk s ARG 128 Ca 0.33 -1.13 -0.29 0.00 -1.72 0.00 0.00 55.73 52.92 3mjk s ARG 128 Cb -0.19 0.25 0.01 0.00 -0.45 0.00 0.00 34.95 34.58 3mjk s ARG 128 CO 0.19 -0.16 1.06 0.00 -0.68 0.00 0.00 175.30 175.71 3mjk s THR 130 N 3.44 1.02 0.00 0.00 -4.23 0.22 -4.92 115.64 111.18 3mjk s THR 130 Ca 0.45 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 3mjk s THR 130 Cb -0.13 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.00 3mjk s THR 130 CO 0.11 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 3mjk n GLY 131 N -0.60 -1.70 3.24 3.99 0.00 -1.26 -0.86 105.19 108.00 3mjk n GLY 131 Ca -0.02 -2.17 -0.14 0.00 0.00 0.00 0.00 46.02 43.69 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 0.20 0.33 -4.71 0.00 3.02 -1.26 -4.48 115.26 108.35 3mjk n ASN 134 Ca -0.11 1.64 -0.26 0.00 -0.03 0.00 0.00 54.58 55.83 3mjk n ASN 134 Cb 0.54 -0.80 -0.07 0.00 -0.61 0.00 0.00 39.78 38.85 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 -5.52 3.96 -0.02 3.41 -4.23 -1.26 -5.00 115.64 106.98 3mjk s THR 135 Ca -0.09 -1.39 0.24 0.00 -1.18 0.00 0.00 61.69 59.27 3mjk s THR 135 Cb 0.33 -3.03 0.25 0.00 1.34 0.00 0.00 72.50 71.40 3mjk s THR 135 CO 0.77 -0.17 1.75 -1.28 -0.54 0.00 0.00 174.62 175.16 3mjk h SER 136 N 2.41 0.00 0.12 3.99 0.87 -1.98 -3.06 113.55 115.89 3mjk h SER 136 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 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 0.60 0.19 0.00 -1.54 -0.53 0.00 0.00 176.83 175.55 3mjk n SER 137 N -3.26 0.00 -4.02 6.23 3.41 -1.26 -4.67 113.62 110.05 3mjk n SER 137 Ca 0.01 -0.51 -0.19 0.00 -0.26 0.00 0.00 58.87 57.91 3mjk n SER 137 Cb 0.48 -0.08 -0.15 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.17 0.76 0.18 -3.33 1.01 -1.16 -5.07 120.40 110.63 3mjk s VAL 138 Ca 0.30 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.98 3mjk s VAL 138 Cb 0.15 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3mjk s VAL 138 CO 0.29 0.22 -0.13 -0.54 0.00 0.00 0.00 175.10 174.94 3mjk s LYS 139 N -0.11 1.93 -0.68 2.72 3.01 -1.25 -4.36 119.74 121.00 3mjk s LYS 139 Ca 0.02 -1.33 -0.27 0.00 -1.01 0.00 0.00 55.97 53.37 3mjk s LYS 139 Cb -0.05 -2.08 0.02 0.00 -1.01 0.00 0.00 37.83 34.71 3mjk s LYS 139 CO -0.00 0.43 1.40 0.00 0.51 0.00 0.00 175.35 177.68 3mjk s GLN 141 N 5.87 2.84 0.16 0.00 -1.52 -0.19 -4.79 119.66 122.04 3mjk s GLN 141 Ca 0.44 -0.77 -0.18 0.00 -1.95 0.00 0.00 55.36 52.90 3mjk s GLN 141 Cb -0.09 -2.67 -0.07 0.00 -0.22 0.00 0.00 33.01 29.95 3mjk s GLN 141 CO 0.18 0.54 0.64 -1.25 -0.25 0.00 0.00 175.29 175.15 3mjk s PRO 142 N -2.60 4.17 -0.06 2.91 0.04 -1.26 -0.12 135.00 138.08 3mjk s PRO 142 Ca 0.29 0.73 0.18 0.00 0.04 0.00 0.00 61.00 62.25 3mjk s PRO 142 Cb -0.11 -2.99 -0.28 0.00 0.04 0.00 0.00 34.50 31.16 3mjk s PRO 142 CO 0.22 0.48 0.33 -1.13 0.04 0.00 0.00 177.00 176.94 3mjk n SER 143 N 0.99 0.69 -3.76 6.66 3.41 0.62 -4.89 113.62 117.34 3mjk n SER 143 Ca -0.05 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.37 3mjk n SER 143 Cb 0.51 1.65 -0.17 0.00 -0.26 0.00 0.00 64.21 65.94 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 -3.11 0.24 0.08 4.33 0.52 -1.21 -4.96 118.95 114.84 3mjk s ARG 144 Ca -0.07 0.18 0.08 0.00 -0.52 0.00 0.00 55.73 55.39 3mjk s ARG 144 Cb 0.10 -0.59 -0.03 0.00 0.52 0.00 0.00 34.95 34.96 3mjk s ARG 144 CO 0.77 -0.23 -0.21 0.14 0.02 0.00 0.00 175.30 175.79 3mjk s VAL 145 N 1.56 1.67 0.00 3.52 -7.23 -1.26 0.08 120.40 118.75 3mjk s VAL 145 Ca -0.02 -1.40 0.08 0.00 -1.81 0.00 0.00 61.98 58.83 3mjk s VAL 145 Cb -0.13 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 3mjk s VAL 145 CO -0.03 0.03 -0.26 -2.28 -0.31 0.00 0.00 175.10 172.25 3mjk s HIS 146 N -1.03 2.31 -0.03 2.82 2.46 0.21 -4.93 115.29 117.09 3mjk s HIS 146 Ca 0.06 -0.43 0.05 0.00 0.47 0.00 0.00 55.06 55.22 3mjk s HIS 146 Cb -0.10 -1.45 -0.01 0.00 -0.13 0.00 0.00 32.58 30.89 3mjk s HIS 146 CO 0.03 0.01 -0.20 -1.01 -2.47 0.00 0.00 174.74 171.11 3mjk s HIS 147 N -0.67 1.88 0.28 3.88 3.76 -1.26 -0.69 115.29 122.46 3mjk s HIS 147 Ca 0.10 -0.47 -0.14 0.00 -0.15 0.00 0.00 55.06 54.41 3mjk s HIS 147 Cb -0.10 -1.23 0.01 0.00 1.11 0.00 0.00 32.58 32.36 3mjk s HIS 147 CO -0.00 -0.12 0.57 -0.98 -0.85 0.00 0.00 174.74 173.36 3mjk s ARG 148 N -0.21 1.72 0.15 1.40 1.70 -0.63 -4.98 118.95 118.10 3mjk s ARG 148 Ca 0.01 -1.26 0.09 0.00 -0.47 0.00 0.00 55.73 54.10 3mjk s ARG 148 Cb -0.10 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.75 3mjk s ARG 148 CO 0.01 -0.75 -0.16 -1.12 -1.08 0.00 0.00 175.30 172.20 3mjk s SER 149 N -3.02 3.93 0.11 -2.89 0.01 -1.26 -0.11 113.70 110.47 3mjk s SER 149 Ca 0.20 -0.62 -0.07 0.00 1.31 0.00 0.00 55.95 56.76 3mjk s SER 149 Cb -0.02 -0.55 -0.01 0.00 0.21 0.00 0.00 66.02 65.64 3mjk s SER 149 CO 0.10 0.14 0.18 0.68 0.41 0.00 0.00 173.24 174.76 3mjk s VAL 150 N -1.43 0.13 0.01 3.43 -7.23 0.33 -4.95 120.40 110.69 3mjk s VAL 150 Ca 0.21 -1.35 0.04 0.00 -1.81 0.00 0.00 61.98 59.07 3mjk s VAL 150 Cb -0.09 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 3mjk s VAL 150 CO 0.12 -0.58 -0.09 -1.59 -0.31 0.00 0.00 175.10 172.65 3mjk s LYS 151 N -3.91 2.44 0.42 4.82 -2.85 -1.26 -0.04 119.74 119.36 3mjk s LYS 151 Ca 0.10 -0.78 0.03 0.00 -1.00 0.00 0.00 55.97 54.32 3mjk s LYS 151 Cb 0.05 -2.43 -0.03 0.00 -2.06 0.00 0.00 37.83 33.37 3mjk s LYS 151 CO -0.07 0.59 0.10 0.14 0.10 0.00 0.00 175.35 176.21 3mjk s VAL 152 N -0.98 0.75 -0.10 1.79 -7.23 -0.86 -4.87 120.40 108.89 3mjk s VAL 152 Ca 0.17 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.32 3mjk s VAL 152 Cb -0.11 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 3mjk s VAL 152 CO 0.07 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 174.82 3mjk s ALA 153 N -3.16 3.08 -0.47 1.32 0.00 0.87 -1.99 121.76 121.40 3mjk s ALA 153 Ca 0.22 -0.84 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 3mjk s ALA 153 Cb 0.03 -1.41 0.12 0.00 0.00 0.00 0.00 23.12 21.86 3mjk s ALA 153 CO 0.13 0.46 0.36 0.21 0.00 0.00 0.00 175.76 176.92 3mjk s LYS 154 N -0.45 2.56 -0.08 0.00 2.20 0.12 -2.10 119.74 121.98 3mjk s LYS 154 Ca 0.07 -1.72 -0.24 0.00 -0.36 0.00 0.00 55.97 53.73 3mjk s LYS 154 Cb -0.12 -3.96 -0.03 0.00 -1.51 0.00 0.00 37.83 32.21 3mjk s LYS 154 CO 0.02 -1.18 0.72 0.08 -0.36 0.00 0.00 175.35 174.63 3mjk s VAL 155 N 1.40 5.02 0.07 4.02 1.01 0.14 -2.28 120.40 129.79 3mjk s VAL 155 Ca 0.05 1.47 -0.02 0.00 0.00 0.00 0.00 61.98 63.48 3mjk s VAL 155 Cb -0.26 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3mjk s VAL 155 CO 0.00 0.22 0.03 -1.61 0.00 0.00 0.00 175.10 173.74 3mjk s GLU 156 N 1.00 0.71 -0.17 2.72 2.02 0.24 -1.17 118.70 124.05 3mjk s GLU 156 Ca 0.38 -1.21 0.01 0.00 0.02 0.00 0.00 54.97 54.16 3mjk s GLU 156 Cb -0.18 0.24 0.03 0.00 0.10 0.00 0.00 34.13 34.32 3mjk s GLU 156 CO 0.18 -0.17 -0.13 0.71 0.02 0.00 0.00 175.26 175.87 3mjk s TYR 157 N -3.93 2.31 -0.17 1.61 2.02 -1.26 0.16 117.35 118.09 3mjk s TYR 157 Ca 0.10 -1.40 0.00 0.00 -0.37 0.00 0.00 57.07 55.40 3mjk s TYR 157 Cb 0.07 -1.64 0.04 0.00 -0.40 0.00 0.00 41.96 40.03 3mjk s TYR 157 CO -0.08 -0.71 -0.09 0.54 -1.57 0.00 0.00 175.55 173.64 3mjk s VAL 158 N 1.44 1.41 -0.75 0.71 0.11 -0.30 -4.70 120.40 118.32 3mjk s VAL 158 Ca 0.03 -0.75 -0.01 0.00 -2.93 0.00 0.00 61.98 58.32 3mjk s VAL 158 Cb -0.14 -1.48 0.00 0.00 -1.53 0.00 0.00 36.38 33.23 3mjk s VAL 158 CO -0.10 0.23 0.63 0.54 -3.33 0.00 0.00 175.10 173.08 3mjk n ARG 159 N 4.78 -4.20 -0.84 1.54 3.00 -1.26 -2.68 116.66 117.01 3mjk n ARG 159 Ca -0.14 0.53 -0.02 0.00 -0.01 0.00 0.00 57.85 58.21 3mjk n ARG 159 Cb 0.48 -4.60 -0.01 0.00 0.00 0.00 0.00 32.46 28.34 3mjk n ARG 159 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3mjk n LYS 160 N -2.98 -1.94 -4.32 5.56 4.76 -1.26 -4.95 118.16 113.04 3mjk n LYS 160 Ca -0.16 0.44 -0.31 0.00 -2.87 0.00 0.00 58.31 55.41 3mjk n LYS 160 Cb 0.60 -4.51 -0.10 0.00 -1.84 0.00 0.00 35.03 29.18 3mjk n LYS 160 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3mjk s LYS 161 N -1.72 2.45 0.09 1.97 1.02 -1.09 -5.09 119.74 117.38 3mjk s LYS 161 Ca 0.00 -0.82 -0.31 0.00 0.02 0.00 0.00 55.97 54.86 3mjk s LYS 161 Cb 0.00 -2.47 -0.07 0.00 -0.52 0.00 0.00 37.83 34.77 3mjk s LYS 161 CO 0.00 0.56 1.29 -2.14 -0.92 0.00 0.00 175.35 174.15 3mjk s PRO 162 N -1.83 4.38 -0.07 -1.68 0.02 -1.26 -1.15 135.00 133.41 3mjk s PRO 162 Ca 0.20 1.93 -0.00 0.00 0.02 0.00 0.00 61.00 63.15 3mjk s PRO 162 Cb -0.11 -3.29 0.02 0.00 0.02 0.00 0.00 34.50 31.14 3mjk s PRO 162 CO 0.12 -0.34 -0.04 0.15 -0.33 0.00 0.00 177.00 176.55 3mjk s LYS 163 N 1.03 1.02 -0.11 5.54 3.01 0.42 -4.92 119.74 125.73 3mjk s LYS 163 Ca 0.61 -0.10 0.00 0.00 -1.01 0.00 0.00 55.97 55.48 3mjk s LYS 163 Cb -0.33 -1.13 0.02 0.00 -1.01 0.00 0.00 37.83 35.38 3mjk s LYS 163 CO 0.30 -0.20 -0.09 -1.17 0.51 0.00 0.00 175.35 174.70 3mjk s LEU 164 N 1.47 1.31 0.05 3.17 0.20 -1.26 0.83 118.68 124.44 3mjk s LEU 164 Ca -0.02 -0.32 0.08 0.00 0.69 0.00 0.00 54.13 54.56 3mjk s LEU 164 Cb -0.13 -0.88 -0.03 0.00 -0.43 0.00 0.00 46.19 44.72 3mjk s LEU 164 CO -0.04 -0.09 -0.22 -1.59 -0.29 0.00 0.00 176.35 174.12 3mjk s LYS 165 N 1.53 1.47 0.18 1.98 -2.85 -0.97 -4.92 119.74 116.17 3mjk s LYS 165 Ca 0.02 -0.99 -0.16 0.00 -1.00 0.00 0.00 55.97 53.85 3mjk s LYS 165 Cb -0.13 -1.61 -0.07 0.00 -2.06 0.00 0.00 37.83 33.95 3mjk s LYS 165 CO -0.07 0.41 0.61 -1.21 0.10 0.00 0.00 175.35 175.19 3mjk s GLU 166 N -1.22 4.05 0.13 1.78 2.02 -1.26 0.12 118.70 124.32 3mjk s GLU 166 Ca 0.08 0.60 0.05 0.00 0.02 0.00 0.00 54.97 55.72 3mjk s GLU 166 Cb -0.09 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 3mjk s GLU 166 CO 0.02 0.44 -0.12 0.08 0.02 0.00 0.00 175.26 175.70 3mjk s VAL 167 N -1.51 1.19 -0.22 2.63 1.01 -0.84 -4.91 120.40 117.74 3mjk s VAL 167 Ca 0.40 -1.86 -0.10 0.00 0.00 0.00 0.00 61.98 60.42 3mjk s VAL 167 Cb -0.15 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 3mjk s VAL 167 CO 0.20 -0.59 0.15 -1.58 0.00 0.00 0.00 175.10 173.27 3mjk s GLN 168 N -3.19 4.12 0.16 2.72 0.74 -1.26 -2.02 119.66 120.92 3mjk s GLN 168 Ca 0.12 -0.25 0.10 0.00 0.05 0.00 0.00 55.36 55.37 3mjk s GLN 168 Cb -0.01 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 3mjk s GLN 168 CO 0.01 0.16 -0.22 0.08 -0.55 0.00 0.00 175.29 174.78 3mjk s VAL 169 N 0.75 2.01 -0.14 1.34 1.01 0.94 -4.94 120.40 121.38 3mjk s VAL 169 Ca 0.08 -1.85 -0.09 0.00 0.00 0.00 0.00 61.98 60.12 3mjk s VAL 169 Cb -0.12 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3mjk s VAL 169 CO 0.02 -0.15 0.17 -0.13 0.00 0.00 0.00 175.10 175.01 3mjk s ARG 170 N -2.46 3.81 -0.03 2.72 3.00 -1.26 -0.51 118.95 124.21 3mjk s ARG 170 Ca 0.15 -0.11 0.07 0.00 0.00 0.00 0.00 55.73 55.85 3mjk s ARG 170 Cb -0.08 -3.29 -0.02 0.00 0.00 0.00 0.00 34.95 31.56 3mjk s ARG 170 CO 0.07 0.56 -0.26 -0.51 0.00 0.00 0.00 175.30 175.16 3mjk s LEU 171 N -0.41 2.06 -0.16 2.53 1.43 0.84 -4.97 118.68 120.00 3mjk s LEU 171 Ca 0.13 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3mjk s LEU 171 Cb -0.12 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 3mjk s LEU 171 CO 0.02 0.30 -0.05 -0.70 0.23 0.00 0.00 176.35 176.15 3mjk s GLU 172 N -0.48 3.57 0.02 1.70 2.12 -1.26 -1.60 118.70 122.77 3mjk s GLU 172 Ca 0.06 -0.57 0.05 0.00 0.36 0.00 0.00 54.97 54.88 3mjk s GLU 172 Cb -0.11 -2.88 -0.02 0.00 0.26 0.00 0.00 34.13 31.38 3mjk s GLU 172 CO 0.00 0.16 -0.16 -1.21 -0.54 0.00 0.00 175.26 173.51 3mjk s GLU 173 N 0.56 1.17 -0.07 4.30 2.02 0.13 -4.71 118.70 122.10 3mjk s GLU 173 Ca -0.04 -0.73 -0.05 0.00 0.02 0.00 0.00 54.97 54.17 3mjk s GLU 173 Cb -0.15 -1.19 -0.04 0.00 0.10 0.00 0.00 34.13 32.85 3mjk s GLU 173 CO 0.03 0.31 0.14 -1.01 0.02 0.00 0.00 175.26 174.75 3mjk s HIS 174 N -0.66 3.54 -0.05 1.61 3.76 0.29 0.66 115.29 124.43 3mjk s HIS 174 Ca 0.05 0.43 0.06 0.00 -0.15 0.00 0.00 55.06 55.45 3mjk s HIS 174 Cb -0.07 -1.88 -0.09 0.00 1.11 0.00 0.00 32.58 31.65 3mjk s HIS 174 CO 0.01 0.68 0.15 1.28 -0.85 0.00 0.00 174.74 176.01 3mjk n LEU 175 N 1.57 0.05 -3.59 0.89 4.77 0.11 -4.57 117.00 116.23 3mjk n LEU 175 Ca -0.16 -0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.59 3mjk n LEU 175 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 3mjk n LEU 175 CO 0.36 0.01 0.28 -1.61 -1.33 0.00 0.00 177.39 175.10 3mjk s GLU 176 N -2.28 0.99 0.22 3.23 2.02 -1.22 -4.94 118.70 116.74 3mjk s GLU 176 Ca -0.01 -0.14 -0.03 0.00 0.02 0.00 0.00 54.97 54.81 3mjk s GLU 176 Cb 0.04 0.46 -0.03 0.00 0.10 0.00 0.00 34.13 34.69 3mjk s GLU 176 CO 0.25 -0.34 0.22 0.00 0.02 0.00 0.00 175.26 175.41 3mjk s ALA 178 N -4.04 -1.94 -0.43 0.00 0.00 0.83 -4.76 121.76 111.42 3mjk s ALA 178 Ca 0.36 1.39 -0.18 0.00 0.00 0.00 0.00 51.96 53.53 3mjk s ALA 178 Cb 0.05 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.01 3mjk s ALA 178 CO 0.13 -0.52 0.48 0.00 0.00 0.00 0.00 175.76 175.85