#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5f s SER 2 N 0.00 1.43 0.20 1.61 1.04 -1.26 -5.04 113.70 111.68 1x5f s SER 2 Ca 0.00 -0.14 -0.23 0.00 0.48 0.00 0.00 55.95 56.06 1x5f s SER 2 Cb 0.00 0.15 0.11 0.00 0.10 0.00 0.00 66.02 66.38 1x5f s SER 2 CO 0.00 -0.30 1.55 -1.28 0.98 0.00 0.00 173.24 174.19 1x5f h SER 3 N 8.37 -1.72 -4.12 7.02 0.87 -2.16 -3.47 113.55 118.33 1x5f h SER 3 Ca -0.15 0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1x5f h SER 3 Cb 1.14 0.83 0.00 0.00 -0.44 0.00 0.00 62.40 63.93 1x5f h SER 3 CO 0.23 -0.27 0.00 0.61 -0.53 0.00 0.00 176.83 176.87 1x5f n GLY 4 N -1.38 -2.16 3.60 5.77 0.00 -1.26 -5.11 105.19 104.65 1x5f n GLY 4 Ca 0.07 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 1x5f n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5f s SER 5 N -2.81 -0.14 -0.16 1.61 0.15 -1.26 -5.18 113.70 105.91 1x5f s SER 5 Ca 0.00 -0.79 -0.14 0.00 0.70 0.00 0.00 55.95 55.72 1x5f s SER 5 Cb 0.00 0.60 0.04 0.00 -1.71 0.00 0.00 66.02 64.95 1x5f s SER 5 CO 0.00 -1.14 0.42 -0.55 1.20 0.00 0.00 173.24 173.17 1x5f s SER 6 N -2.97 -0.43 -0.12 5.45 0.15 -1.26 -5.06 113.70 109.45 1x5f s SER 6 Ca 0.18 0.84 -0.11 0.00 0.70 0.00 0.00 55.95 57.56 1x5f s SER 6 Cb -0.01 0.85 -0.26 0.00 -1.71 0.00 0.00 66.02 64.89 1x5f s SER 6 CO 0.06 -0.14 0.41 1.23 1.20 0.00 0.00 173.24 175.99 1x5f h GLY 7 N 5.50 0.28 -5.28 9.45 0.00 -2.09 -3.47 103.07 107.46 1x5f h GLY 7 Ca -0.27 -0.71 -0.33 0.00 0.00 0.00 0.00 47.33 46.02 1x5f h GLY 7 CO 0.24 0.62 -0.48 -1.84 0.00 0.00 0.00 176.54 175.09 1x5f n GLU 8 N -3.70 -1.01 -1.01 4.80 -0.00 -1.26 -4.71 120.64 113.75 1x5f n GLU 8 Ca -0.30 0.07 -0.33 0.00 -0.00 0.00 0.00 57.16 56.61 1x5f n GLU 8 Cb 0.98 -2.85 0.02 0.00 -0.00 0.00 0.00 31.44 29.58 1x5f n GLU 8 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1x5f n HIS 9 N -2.51 -3.03 -4.26 -1.84 1.44 -1.26 -4.99 115.22 98.76 1x5f n HIS 9 Ca 0.06 0.28 -0.14 0.00 -2.01 0.00 0.00 57.72 55.91 1x5f n HIS 9 Cb 0.28 -1.39 -0.10 0.00 0.12 0.00 0.00 29.99 28.90 1x5f n HIS 9 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1x5f s ALA 10 N -1.72 1.46 -0.17 1.59 0.00 -1.26 -5.11 121.76 116.54 1x5f s ALA 10 Ca 0.45 -1.63 -0.29 0.00 0.00 0.00 0.00 51.96 50.49 1x5f s ALA 10 Cb -0.35 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1x5f s ALA 10 CO 0.61 -0.30 1.58 -1.25 0.00 0.00 0.00 175.76 176.40 1x5f s PRO 11 N -3.90 3.95 -0.20 0.00 0.04 -1.26 -4.87 135.00 128.76 1x5f s PRO 11 Ca 0.25 1.80 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 1x5f s PRO 11 Cb 0.06 -3.99 -0.11 0.00 0.04 0.00 0.00 34.50 30.50 1x5f s PRO 11 CO 0.05 -1.10 -0.21 0.00 0.04 0.00 0.00 177.00 175.78 1x5f n ALA 12 N 7.87 1.61 -1.68 8.56 0.00 -1.26 -4.98 120.51 130.64 1x5f n ALA 12 Ca 0.18 -0.83 -0.46 0.00 0.00 0.00 0.00 53.44 52.33 1x5f n ALA 12 Cb 0.45 0.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 1x5f n ALA 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x5f n THR 13 N -3.43 0.14 -2.08 0.00 -2.24 -1.26 -4.85 114.28 100.56 1x5f n THR 13 Ca -0.37 -0.02 -0.30 0.00 -2.27 0.00 0.00 64.05 61.09 1x5f n THR 13 Cb 0.83 -1.70 -0.05 0.00 -2.10 0.00 0.00 70.33 67.31 1x5f n THR 13 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1x5f s THR 14 N 1.67 3.46 0.43 4.28 -4.23 -1.26 -4.96 115.64 115.04 1x5f s THR 14 Ca 0.81 -0.28 -0.02 0.00 -1.18 0.00 0.00 61.69 61.02 1x5f s THR 14 Cb -0.64 -4.07 -0.02 0.00 1.34 0.00 0.00 72.50 69.11 1x5f s THR 14 CO 0.39 -1.01 0.68 -0.83 -0.54 0.00 0.00 174.62 173.31 1x5f s GLY 15 N 7.81 1.46 0.73 3.99 0.00 -1.26 -5.08 107.32 114.97 1x5f s GLY 15 Ca 0.68 -0.80 -0.12 0.00 0.00 0.00 0.00 44.72 44.48 1x5f s GLY 15 CO 0.03 -0.66 1.10 2.56 0.00 0.00 0.00 173.10 176.13 1x5f s PRO 16 N -4.56 2.45 0.20 2.90 0.04 -1.26 -5.07 135.00 129.69 1x5f s PRO 16 Ca 0.45 1.25 0.11 0.00 0.04 0.00 0.00 61.00 62.85 1x5f s PRO 16 Cb -0.10 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1x5f s PRO 16 CO 0.40 -1.51 -0.19 -0.51 0.04 0.00 0.00 177.00 175.24 1x5f s LEU 17 N -5.54 2.63 0.00 -3.56 1.43 -1.26 -4.94 118.68 107.44 1x5f s LEU 17 Ca 0.63 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1x5f s LEU 17 Cb -0.18 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1x5f s LEU 17 CO 0.51 0.11 0.00 -0.81 0.23 0.00 0.00 176.35 176.38 1x5f n PRO 18 N 0.09 -0.30 -4.41 1.29 -0.04 -1.26 -4.95 135.00 125.42 1x5f n PRO 18 Ca -0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.14 1x5f n PRO 18 Cb 0.56 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.87 1x5f n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5f s SER 19 N -1.51 1.24 0.71 3.54 0.15 -1.26 -3.80 113.70 112.76 1x5f s SER 19 Ca 0.00 -0.19 -0.17 0.00 0.70 0.00 0.00 55.95 56.29 1x5f s SER 19 Cb 0.00 -0.32 -0.13 0.00 -1.71 0.00 0.00 66.02 63.86 1x5f s SER 19 CO 0.00 0.07 -0.23 0.00 1.20 0.00 0.00 173.24 174.28 1x5f n ALA 20 N 3.26 -3.59 -1.11 5.45 0.00 -1.08 -4.63 120.51 118.82 1x5f n ALA 20 Ca -0.18 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 52.67 1x5f n ALA 20 Cb 0.54 -1.40 0.22 0.00 0.00 0.00 0.00 19.45 18.81 1x5f n ALA 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x5f s PRO 21 N -1.67 -0.60 0.33 0.00 0.04 -1.26 -4.56 135.00 127.28 1x5f s PRO 21 Ca 0.53 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1x5f s PRO 21 Cb -0.36 -1.65 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 1x5f s PRO 21 CO 0.70 -3.35 0.01 0.54 0.04 0.00 0.00 177.00 174.95 1x5f n ARG 22 N -4.54 1.13 -4.21 4.56 5.12 -1.22 -4.79 116.66 112.70 1x5f n ARG 22 Ca 0.10 -2.44 -0.34 0.00 -1.93 0.00 0.00 57.85 53.23 1x5f n ARG 22 Cb 0.59 0.73 -0.04 0.00 -1.16 0.00 0.00 32.46 32.57 1x5f n ARG 22 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1x5f n ASP 23 N -1.26 -2.21 -4.58 0.55 9.92 -1.26 -0.88 116.55 116.83 1x5f n ASP 23 Ca -0.13 -1.06 -0.42 0.00 -0.53 0.00 0.00 54.79 52.66 1x5f n ASP 23 Cb 0.42 -2.60 -0.03 0.00 -0.64 0.00 0.00 41.12 38.28 1x5f n ASP 23 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1x5f s VAL 24 N -3.51 3.74 0.25 2.53 1.01 -1.26 -3.99 120.40 119.18 1x5f s VAL 24 Ca 0.54 0.65 0.02 0.00 0.00 0.00 0.00 61.98 63.19 1x5f s VAL 24 Cb -0.30 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 1x5f s VAL 24 CO 0.94 -1.05 0.17 0.68 0.00 0.00 0.00 175.10 175.84 1x5f s VAL 25 N 6.29 0.09 -0.43 2.92 -7.23 0.16 -4.98 120.40 117.22 1x5f s VAL 25 Ca 0.56 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.63 1x5f s VAL 25 Cb -0.12 -2.51 0.08 0.00 0.56 0.00 0.00 36.38 34.39 1x5f s VAL 25 CO 0.26 0.00 0.29 0.00 -0.31 0.00 0.00 175.10 175.34 1x5f s ALA 26 N -3.87 3.35 0.53 1.32 0.00 -1.26 0.40 121.76 122.22 1x5f s ALA 26 Ca 0.39 -2.18 0.23 0.00 0.00 0.00 0.00 51.96 50.40 1x5f s ALA 26 Cb 0.06 -2.74 1.38 0.00 0.00 0.00 0.00 23.12 21.82 1x5f s ALA 26 CO 0.17 -1.69 2.04 1.03 0.00 0.00 0.00 175.76 177.32 1x5f h SER 27 N 8.47 0.00 -5.00 0.00 0.87 -0.83 -3.43 113.55 113.62 1x5f h SER 27 Ca -0.24 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.27 1x5f h SER 27 Cb 1.09 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.87 1x5f h SER 27 CO 0.79 0.00 0.20 -0.22 -0.53 0.00 0.00 176.83 177.06 1x5f s LEU 28 N -8.76 -0.64 -0.31 2.23 0.20 -0.98 -4.98 118.68 105.43 1x5f s LEU 28 Ca -0.05 0.57 0.02 0.00 0.69 0.00 0.00 54.13 55.37 1x5f s LEU 28 Cb 0.19 2.55 0.09 0.00 -0.43 0.00 0.00 46.19 48.59 1x5f s LEU 28 CO 0.70 -0.68 0.04 -0.69 -0.29 0.00 0.00 176.35 175.43 1x5f s VAL 29 N -1.70 1.75 0.40 1.68 1.01 -1.26 0.10 120.40 122.38 1x5f s VAL 29 Ca -0.09 -1.87 -0.08 0.00 0.00 0.00 0.00 61.98 59.95 1x5f s VAL 29 Cb -0.00 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1x5f s VAL 29 CO 0.05 -0.53 0.73 -0.55 0.00 0.00 0.00 175.10 174.81 1x5f s SER 30 N 1.19 6.43 0.53 3.32 0.15 0.34 -4.66 113.70 121.00 1x5f s SER 30 Ca 0.07 0.98 0.32 0.00 0.70 0.00 0.00 55.95 58.02 1x5f s SER 30 Cb -0.18 -2.26 1.35 0.00 -1.71 0.00 0.00 66.02 63.22 1x5f s SER 30 CO -0.13 -0.41 1.98 0.71 1.20 0.00 0.00 173.24 176.60 1x5f h THR 31 N 0.88 0.16 -0.00 6.45 1.35 -1.97 -2.97 112.91 116.81 1x5f h THR 31 Ca -0.47 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1x5f h THR 31 Cb 1.19 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1x5f h THR 31 CO 0.64 0.06 -0.03 0.54 -0.25 0.00 0.00 175.52 176.47 1x5f n ARG 32 N -3.20 1.61 -3.76 4.72 1.74 -1.26 -2.16 116.66 114.35 1x5f n ARG 32 Ca 0.00 -0.42 -0.08 0.00 -0.77 0.00 0.00 57.85 56.58 1x5f n ARG 32 Cb 0.31 -0.89 0.03 0.00 -1.02 0.00 0.00 32.46 30.89 1x5f n ARG 32 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1x5f n PHE 33 N -0.26 -2.18 -3.69 -1.55 1.16 -1.12 -1.00 117.46 108.81 1x5f n PHE 33 Ca 0.01 -1.74 -0.11 0.00 -1.87 0.00 0.00 57.45 53.74 1x5f n PHE 33 Cb 0.04 0.87 -0.12 0.00 -1.61 0.00 0.00 39.48 38.66 1x5f n PHE 33 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1x5f s ILE 34 N -2.10 -0.26 -0.19 1.97 1.01 -1.01 0.12 121.20 120.74 1x5f s ILE 34 Ca 0.17 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.74 1x5f s ILE 34 Cb -0.05 -0.52 -0.01 0.00 0.01 0.00 0.00 42.46 41.90 1x5f s ILE 34 CO 0.11 0.07 0.86 -0.75 0.00 0.00 0.00 174.94 175.23 1x5f s LYS 35 N 1.89 4.28 0.18 2.79 2.47 0.29 -2.35 119.74 129.29 1x5f s LYS 35 Ca -0.05 1.05 0.04 0.00 -1.56 0.00 0.00 55.97 55.45 1x5f s LYS 35 Cb -0.11 -3.59 -0.04 0.00 -1.46 0.00 0.00 37.83 32.64 1x5f s LYS 35 CO -0.11 -0.39 0.23 -0.51 0.16 0.00 0.00 175.35 174.73 1x5f s LEU 36 N 2.37 4.06 -0.24 5.43 2.01 -0.15 -0.21 118.68 131.95 1x5f s LEU 36 Ca 0.39 -0.01 -0.12 0.00 0.01 0.00 0.00 54.13 54.39 1x5f s LEU 36 Cb -0.16 -2.64 0.09 0.00 0.01 0.00 0.00 46.19 43.48 1x5f s LEU 36 CO 0.11 0.03 0.57 0.42 1.01 0.00 0.00 176.35 178.49 1x5f s THR 37 N -1.83 -0.28 0.19 5.49 -4.23 0.16 -2.65 115.64 112.50 1x5f s THR 37 Ca 0.33 0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 60.85 1x5f s THR 37 Cb -0.10 -0.85 -0.03 0.00 1.34 0.00 0.00 72.50 72.85 1x5f s THR 37 CO 0.26 0.02 0.18 -1.66 -0.54 0.00 0.00 174.62 172.88 1x5f s TRP 38 N 1.94 0.91 0.56 3.99 -2.14 -0.16 -0.66 118.94 123.37 1x5f s TRP 38 Ca -0.08 -1.19 0.09 0.00 2.66 0.00 0.00 56.10 57.57 1x5f s TRP 38 Cb -0.08 -0.39 0.09 0.00 -3.10 0.00 0.00 33.47 29.99 1x5f s TRP 38 CO -0.17 -0.67 0.71 0.54 -2.66 0.00 0.00 176.95 174.70 1x5f n ARG 39 N -0.24 0.63 -2.42 3.25 5.12 -0.06 -4.67 116.66 118.26 1x5f n ARG 39 Ca -0.01 -3.10 -0.38 0.00 -1.93 0.00 0.00 57.85 52.43 1x5f n ARG 39 Cb 0.65 -0.12 -0.03 0.00 -1.16 0.00 0.00 32.46 31.79 1x5f n ARG 39 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1x5f s THR 40 N -2.54 3.42 0.57 0.55 -4.23 -1.26 -3.42 115.64 108.73 1x5f s THR 40 Ca 0.54 1.21 -0.18 0.00 -1.18 0.00 0.00 61.69 62.08 1x5f s THR 40 Cb -0.04 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 1x5f s THR 40 CO 0.34 0.13 1.13 -2.16 -0.54 0.00 0.00 174.62 173.51 1x5f s PRO 41 N -2.16 3.22 0.46 3.99 0.04 -1.13 -4.30 135.00 135.12 1x5f s PRO 41 Ca 0.54 1.56 0.17 0.00 0.04 0.00 0.00 61.00 63.31 1x5f s PRO 41 Cb -0.28 -1.99 1.15 0.00 0.04 0.00 0.00 34.50 33.41 1x5f s PRO 41 CO 0.36 -0.95 1.98 0.00 0.04 0.00 0.00 177.00 178.43 1x5f h ALA 42 N 0.91 2.16 -0.12 8.56 0.00 -1.82 -1.58 119.26 127.37 1x5f h ALA 42 Ca -0.49 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 1x5f h ALA 42 Cb 1.26 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1x5f h ALA 42 CO 0.56 -0.30 -0.51 0.66 0.00 0.00 0.00 179.25 179.66 1x5f h SER 43 N 0.28 0.66 -3.84 0.00 4.64 -1.91 -3.40 113.55 109.97 1x5f h SER 43 Ca 0.27 -0.63 -0.65 0.00 -0.47 0.00 0.00 61.79 60.32 1x5f h SER 43 Cb 0.69 -0.19 -0.40 0.00 -0.31 0.00 0.00 62.40 62.18 1x5f h SER 43 CO -0.06 1.18 -0.70 -1.81 -0.87 0.00 0.00 176.83 174.57 1x5f s ASP 44 N -6.71 4.53 0.49 4.97 1.11 -0.60 -4.95 116.67 115.52 1x5f s ASP 44 Ca -0.12 -2.39 0.28 0.00 0.18 0.00 0.00 52.55 50.50 1x5f s ASP 44 Cb 0.06 -1.55 1.18 0.00 1.07 0.00 0.00 42.92 43.68 1x5f s ASP 44 CO 0.83 -0.33 1.93 1.55 1.18 0.00 0.00 175.17 180.33 1x5f h PRO 45 N 7.28 0.00 0.00 8.23 0.13 -1.77 -2.96 132.00 142.91 1x5f h PRO 45 Ca -0.06 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.87 1x5f h PRO 45 Cb 0.98 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 1x5f h PRO 45 CO 0.56 0.13 -1.91 0.72 -0.23 0.00 0.00 178.00 177.28 1x5f n HIS 46 N -3.33 0.41 -2.20 1.56 8.25 -1.26 -4.79 115.22 113.86 1x5f n HIS 46 Ca -0.00 0.14 -0.03 0.00 -0.26 0.00 0.00 57.72 57.56 1x5f n HIS 46 Cb 0.35 -0.93 -0.01 0.00 1.12 0.00 0.00 29.99 30.53 1x5f n HIS 46 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x5f n GLY 47 N 1.50 -0.37 0.09 -1.41 0.00 -1.13 -4.65 105.19 99.21 1x5f n GLY 47 Ca -0.17 0.01 0.11 0.00 0.00 0.00 0.00 46.02 45.96 1x5f n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5f n ASP 48 N -1.19 1.11 -0.62 1.61 8.00 -1.26 -3.79 116.55 120.41 1x5f n ASP 48 Ca 0.01 -0.99 0.08 0.00 0.71 0.00 0.00 54.79 54.60 1x5f n ASP 48 Cb 0.38 0.78 0.20 0.00 -0.02 0.00 0.00 41.12 42.46 1x5f n ASP 48 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1x5f n ASN 49 N -1.22 3.28 -3.73 -2.24 0.23 -1.26 -4.76 115.26 105.56 1x5f n ASN 49 Ca 0.05 -2.81 -0.12 0.00 -0.53 0.00 0.00 54.58 51.17 1x5f n ASN 49 Cb 0.36 -0.44 -0.11 0.00 -2.08 0.00 0.00 39.78 37.51 1x5f n ASN 49 CO 0.00 0.00 0.00 -1.48 -0.93 0.00 0.00 177.26 174.85 1x5f s LEU 50 N -2.43 0.42 0.00 -4.53 0.05 -1.26 -4.37 118.68 106.57 1x5f s LEU 50 Ca 0.34 0.75 -0.15 0.00 0.05 0.00 0.00 54.13 55.13 1x5f s LEU 50 Cb 0.27 1.22 0.21 0.00 -2.05 0.00 0.00 46.19 45.84 1x5f s LEU 50 CO 0.08 -0.15 1.25 0.41 -0.55 0.00 0.00 176.35 177.40 1x5f n THR 51 N 3.35 0.00 -3.95 5.48 -1.04 0.23 -2.75 114.28 115.60 1x5f n THR 51 Ca -0.17 -0.99 -0.20 0.00 -2.04 0.00 0.00 64.05 60.65 1x5f n THR 51 Cb 0.56 -1.47 -0.17 0.00 -1.82 0.00 0.00 70.33 67.44 1x5f n THR 51 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1x5f s TYR 52 N -3.72 0.55 -0.11 -1.42 2.02 -1.26 -0.14 117.35 113.27 1x5f s TYR 52 Ca 0.72 -0.10 -0.04 0.00 -0.37 0.00 0.00 57.07 57.28 1x5f s TYR 52 Cb -0.02 -0.61 -0.04 0.00 -0.40 0.00 0.00 41.96 40.90 1x5f s TYR 52 CO 0.50 -0.21 0.04 -1.12 -1.57 0.00 0.00 175.55 173.19 1x5f s SER 53 N 1.31 5.54 -0.24 2.29 0.01 0.87 -2.60 113.70 120.87 1x5f s SER 53 Ca -0.05 0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.43 1x5f s SER 53 Cb -0.13 -1.68 0.05 0.00 0.21 0.00 0.00 66.02 64.47 1x5f s SER 53 CO -0.02 0.36 -0.12 -0.69 0.41 0.00 0.00 173.24 173.17 1x5f s VAL 54 N -0.73 2.20 -0.32 3.43 1.01 -1.08 -1.05 120.40 123.85 1x5f s VAL 54 Ca 0.12 -1.47 -0.11 0.00 0.00 0.00 0.00 61.98 60.52 1x5f s VAL 54 Cb -0.12 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1x5f s VAL 54 CO 0.02 0.09 0.20 -0.36 0.00 0.00 0.00 175.10 175.06 1x5f s PHE 55 N 1.15 3.21 0.16 5.22 0.40 0.34 -0.95 117.98 127.51 1x5f s PHE 55 Ca -0.06 -0.33 0.08 0.00 -0.60 0.00 0.00 56.93 56.02 1x5f s PHE 55 Cb -0.18 -2.42 -0.04 0.00 0.51 0.00 0.00 43.02 40.88 1x5f s PHE 55 CO -0.06 -0.38 -0.07 1.52 0.70 0.00 0.00 175.22 176.92 1x5f s TYR 56 N 1.68 2.72 -0.11 0.36 1.13 -0.80 -0.85 117.35 121.48 1x5f s TYR 56 Ca 0.06 -0.18 -0.30 0.00 -1.41 0.00 0.00 57.07 55.23 1x5f s TYR 56 Cb -0.17 -1.35 0.12 0.00 -1.10 0.00 0.00 41.96 39.46 1x5f s TYR 56 CO 0.09 0.49 0.95 -0.08 -2.51 0.00 0.00 175.55 174.49 1x5f s THR 57 N -1.59 0.00 0.21 -3.49 -1.32 -1.13 -1.34 115.64 106.97 1x5f s THR 57 Ca 0.25 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.43 1x5f s THR 57 Cb -0.09 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.81 1x5f s THR 57 CO 0.16 0.00 1.18 -0.75 -2.21 0.00 0.00 174.62 173.00 1x5f s LYS 58 N -1.67 4.51 0.41 7.08 2.20 -1.26 -0.88 119.74 130.13 1x5f s LYS 58 Ca -0.00 1.88 0.25 0.00 -0.36 0.00 0.00 55.97 57.73 1x5f s LYS 58 Cb -0.01 -3.22 1.32 0.00 -1.51 0.00 0.00 37.83 34.41 1x5f s LYS 58 CO -0.01 -0.04 1.64 1.49 -0.36 0.00 0.00 175.35 178.08 1x5f h GLU 59 N 4.90 0.15 0.16 4.03 4.22 -1.94 0.16 114.58 126.25 1x5f h GLU 59 Ca -0.45 -0.01 -0.27 0.00 0.08 0.00 0.00 59.36 58.71 1x5f h GLU 59 Cb 1.21 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.45 1x5f h GLU 59 CO 0.73 0.10 -1.29 0.78 -2.18 0.00 0.00 179.01 177.15 1x5f h GLY 60 N 0.15 0.39 -3.51 1.92 0.00 -1.91 -3.46 103.07 96.66 1x5f h GLY 60 Ca 0.79 -1.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.62 1x5f h GLY 60 CO -0.49 0.87 0.49 -0.42 0.00 0.00 0.00 176.54 176.99 1x5f s ILE 61 N -2.50 3.37 -0.66 2.60 -1.09 0.55 -4.95 121.20 118.52 1x5f s ILE 61 Ca -0.15 1.28 0.23 0.00 -2.23 0.00 0.00 60.65 59.78 1x5f s ILE 61 Cb 0.03 -3.77 -0.09 0.00 -1.58 0.00 0.00 42.46 37.05 1x5f s ILE 61 CO 0.83 0.23 1.09 0.00 -1.23 0.00 0.00 174.94 175.86 1x5f n ALA 62 N 0.72 3.42 -1.95 9.38 0.00 -1.26 -4.16 120.51 126.65 1x5f n ALA 62 Ca 0.01 -0.39 -0.39 0.00 0.00 0.00 0.00 53.44 52.67 1x5f n ALA 62 Cb 0.46 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 1x5f n ALA 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1x5f s ARG 63 N -3.17 4.61 0.04 0.00 3.52 -1.26 -5.05 118.95 117.64 1x5f s ARG 63 Ca 0.05 1.21 0.02 0.00 -0.13 0.00 0.00 55.73 56.88 1x5f s ARG 63 Cb 0.15 -3.27 -0.02 0.00 -1.56 0.00 0.00 34.95 30.25 1x5f s ARG 63 CO 0.79 0.56 -0.08 -1.83 -0.81 0.00 0.00 175.30 173.93 1x5f s GLU 64 N -1.14 0.53 -0.09 5.12 1.03 -1.26 -4.39 118.70 118.51 1x5f s GLU 64 Ca 0.37 -0.71 0.00 0.00 0.03 0.00 0.00 54.97 54.66 1x5f s GLU 64 Cb -0.24 -0.32 -0.03 0.00 -0.80 0.00 0.00 34.13 32.75 1x5f s GLU 64 CO 0.27 0.06 -0.08 1.03 -1.33 0.00 0.00 175.26 175.22 1x5f s ARG 65 N -1.44 2.97 -0.09 -4.83 1.81 -0.45 -4.87 118.95 112.05 1x5f s ARG 65 Ca -0.09 -0.57 -0.14 0.00 -1.72 0.00 0.00 55.73 53.21 1x5f s ARG 65 Cb -0.09 -2.64 -0.05 0.00 -0.45 0.00 0.00 34.95 31.72 1x5f s ARG 65 CO 0.00 0.53 0.34 0.54 -0.68 0.00 0.00 175.30 176.04 1x5f s VAL 66 N -0.45 5.21 -0.28 3.52 0.11 -1.26 -1.90 120.40 125.35 1x5f s VAL 66 Ca 0.07 0.68 0.02 0.00 -2.93 0.00 0.00 61.98 59.81 1x5f s VAL 66 Cb -0.12 -3.66 0.08 0.00 -1.53 0.00 0.00 36.38 31.14 1x5f s VAL 66 CO 0.02 0.47 -0.02 -0.70 -3.33 0.00 0.00 175.10 171.55 1x5f s GLU 67 N -0.24 1.58 0.00 1.54 2.56 -0.13 -4.91 118.70 119.11 1x5f s GLU 67 Ca 0.20 -1.30 -0.30 0.00 0.00 0.00 0.00 54.97 53.57 1x5f s GLU 67 Cb -0.15 -2.73 -0.04 0.00 2.00 0.00 0.00 34.13 33.21 1x5f s GLU 67 CO 0.08 -0.73 1.21 -0.80 -0.56 0.00 0.00 175.26 174.46 1x5f s ASN 68 N 1.24 7.05 -0.05 -1.70 0.01 -1.26 -2.63 114.94 117.60 1x5f s ASN 68 Ca -0.00 1.93 -0.36 0.00 -0.71 0.00 0.00 52.86 53.71 1x5f s ASN 68 Cb -0.19 -2.57 -0.14 0.00 0.41 0.00 0.00 41.25 38.76 1x5f s ASN 68 CO -0.09 -0.54 1.67 0.35 -1.51 0.00 0.00 177.10 176.99 1x5f n THR 69 N 4.30 0.27 -0.59 1.60 -2.24 -1.07 -4.75 114.28 111.80 1x5f n THR 69 Ca 0.10 -0.05 0.45 0.00 -2.27 0.00 0.00 64.05 62.28 1x5f n THR 69 Cb 0.46 -1.42 0.69 0.00 -2.10 0.00 0.00 70.33 67.96 1x5f n THR 69 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1x5f n SER 70 N 4.80 0.02 -4.04 3.42 2.88 -1.26 -4.21 113.62 115.23 1x5f n SER 70 Ca 0.22 0.88 -0.14 0.00 -1.33 0.00 0.00 58.87 58.50 1x5f n SER 70 Cb 0.23 -0.44 -0.12 0.00 -0.75 0.00 0.00 64.21 63.13 1x5f n SER 70 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1x5f s HIS 71 N -4.62 0.65 0.22 0.66 3.76 -1.26 -5.13 115.29 109.56 1x5f s HIS 71 Ca -0.04 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.16 1x5f s HIS 71 Cb 0.23 -0.39 -0.09 0.00 1.11 0.00 0.00 32.58 33.44 1x5f s HIS 71 CO 0.76 -0.06 1.29 -1.25 -0.85 0.00 0.00 174.74 174.63 1x5f s PRO 72 N -1.25 4.41 0.00 8.40 0.04 -1.26 -2.79 135.00 142.55 1x5f s PRO 72 Ca -0.07 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1x5f s PRO 72 Cb -0.08 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1x5f s PRO 72 CO 0.00 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1x5f n GLY 73 N 2.09 2.45 3.61 0.56 0.00 -1.11 -4.93 105.19 107.86 1x5f n GLY 73 Ca 0.05 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.47 1x5f n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x5f n GLU 74 N -2.00 0.69 -0.11 1.61 4.07 -1.12 -4.78 120.64 119.00 1x5f n GLU 74 Ca 0.00 0.24 0.02 0.00 -0.06 0.00 0.00 57.16 57.36 1x5f n GLU 74 Cb 0.00 -1.92 0.07 0.00 -0.06 0.00 0.00 31.44 29.54 1x5f n GLU 74 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1x5f n MET 75 N 5.78 1.48 -3.60 5.31 2.81 -1.26 -4.80 117.12 122.84 1x5f n MET 75 Ca 0.34 -0.60 -0.12 0.00 -1.81 0.00 0.00 57.70 55.51 1x5f n MET 75 Cb 0.07 -1.26 -0.06 0.00 -0.71 0.00 0.00 33.22 31.26 1x5f n MET 75 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1x5f s GLN 76 N -1.68 0.70 0.15 0.03 0.00 -1.26 -0.99 119.66 116.60 1x5f s GLN 76 Ca 0.11 0.53 -0.09 0.00 -0.00 0.00 0.00 55.36 55.92 1x5f s GLN 76 Cb 0.06 0.33 -0.01 0.00 0.00 0.00 0.00 33.01 33.40 1x5f s GLN 76 CO 0.06 -0.14 0.25 0.54 0.00 0.00 0.00 175.29 176.00 1x5f s VAL 77 N -0.28 0.08 -0.11 3.63 0.11 -1.08 -4.96 120.40 117.79 1x5f s VAL 77 Ca -0.01 -1.36 0.01 0.00 -2.93 0.00 0.00 61.98 57.69 1x5f s VAL 77 Cb -0.03 -1.73 -0.02 0.00 -1.53 0.00 0.00 36.38 33.07 1x5f s VAL 77 CO -0.00 -0.39 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.36 1x5f s THR 78 N -3.95 3.07 -0.59 5.04 2.01 -1.26 -0.98 115.64 118.98 1x5f s THR 78 Ca 0.15 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.42 1x5f s THR 78 Cb 0.04 -2.27 0.15 0.00 0.01 0.00 0.00 72.50 70.43 1x5f s THR 78 CO -0.03 0.54 0.44 -0.63 -0.69 0.00 0.00 174.62 174.25 1x5f s ILE 79 N 0.12 4.02 0.89 1.82 -1.09 -0.99 -4.97 121.20 121.00 1x5f s ILE 79 Ca -0.06 -2.53 -0.09 0.00 -2.23 0.00 0.00 60.65 55.73 1x5f s ILE 79 Cb -0.15 -3.62 0.19 0.00 -1.58 0.00 0.00 42.46 37.31 1x5f s ILE 79 CO 0.05 -0.85 1.21 -1.10 -1.23 0.00 0.00 174.94 173.01 1x5f s GLN 80 N 0.42 0.86 -0.81 2.79 -0.21 -1.26 -2.41 119.66 119.03 1x5f s GLN 80 Ca 0.14 -0.88 -0.02 0.00 0.02 0.00 0.00 55.36 54.62 1x5f s GLN 80 Cb -0.20 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.76 1x5f s GLN 80 CO -0.04 -2.14 0.69 0.09 -2.12 0.00 0.00 175.29 171.77 1x5f n ASN 81 N -3.43 -3.09 -4.58 5.90 3.02 -1.03 -4.92 115.26 107.14 1x5f n ASN 81 Ca 0.17 -0.38 -0.26 0.00 -0.03 0.00 0.00 54.58 54.08 1x5f n ASN 81 Cb 0.60 -3.47 -0.10 0.00 -0.61 0.00 0.00 39.78 36.20 1x5f n ASN 81 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x5f s LEU 82 N -4.92 2.80 -0.12 3.41 1.43 -0.17 -5.03 118.68 116.08 1x5f s LEU 82 Ca 0.14 -1.21 -0.05 0.00 -1.03 0.00 0.00 54.13 51.99 1x5f s LEU 82 Cb -0.06 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 1x5f s LEU 82 CO 0.47 -0.27 0.06 -0.32 0.23 0.00 0.00 176.35 176.52 1x5f s MET 83 N -3.65 3.41 0.74 1.70 -2.45 -1.26 -4.48 119.30 113.31 1x5f s MET 83 Ca 0.33 -0.32 -0.12 0.00 -1.25 0.00 0.00 55.69 54.34 1x5f s MET 83 Cb 0.04 -3.02 0.04 0.00 1.25 0.00 0.00 34.83 33.14 1x5f s MET 83 CO 0.17 0.59 1.10 -1.25 1.05 0.00 0.00 175.02 176.68 1x5f s PRO 84 N -0.53 2.39 -1.64 4.11 0.04 -0.92 -3.58 135.00 134.87 1x5f s PRO 84 Ca 0.10 1.23 -0.17 0.00 0.04 0.00 0.00 61.00 62.20 1x5f s PRO 84 Cb -0.12 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.65 1x5f s PRO 84 CO 0.02 -1.55 0.84 0.00 0.04 0.00 0.00 177.00 176.35 1x5f n ALA 85 N -3.25 -1.24 -3.70 8.56 0.00 -1.17 -4.85 120.51 114.85 1x5f n ALA 85 Ca 0.09 0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 1x5f n ALA 85 Cb 0.53 -3.79 -0.18 0.00 0.00 0.00 0.00 19.45 16.01 1x5f n ALA 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1x5f s THR 86 N -3.26 0.10 0.43 0.00 2.01 -1.23 -4.91 115.64 108.78 1x5f s THR 86 Ca 0.71 0.21 -0.26 0.00 0.31 0.00 0.00 61.69 62.67 1x5f s THR 86 Cb -0.38 -0.38 -0.08 0.00 0.01 0.00 0.00 72.50 71.67 1x5f s THR 86 CO 0.88 0.14 1.39 -0.69 -0.69 0.00 0.00 174.62 175.65 1x5f s VAL 87 N 2.08 2.24 -0.03 3.82 1.01 -1.26 -3.51 120.40 124.75 1x5f s VAL 87 Ca 0.04 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 1x5f s VAL 87 Cb -0.13 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1x5f s VAL 87 CO -0.05 0.03 0.06 -0.31 0.00 0.00 0.00 175.10 174.84 1x5f s TYR 88 N -1.22 -0.06 -0.46 5.22 2.02 0.13 -3.71 117.35 119.27 1x5f s TYR 88 Ca 0.59 0.19 -0.16 0.00 -0.37 0.00 0.00 57.07 57.33 1x5f s TYR 88 Cb -0.42 -0.02 0.06 0.00 -0.40 0.00 0.00 41.96 41.19 1x5f s TYR 88 CO 0.54 -0.05 0.39 0.42 -1.57 0.00 0.00 175.55 175.28 1x5f s ILE 89 N 0.26 5.22 0.03 2.71 -1.09 -0.06 -1.13 121.20 127.14 1x5f s ILE 89 Ca -0.02 -0.97 -0.15 0.00 -2.23 0.00 0.00 60.65 57.29 1x5f s ILE 89 Cb -0.03 -4.10 -0.06 0.00 -1.58 0.00 0.00 42.46 36.69 1x5f s ILE 89 CO -0.01 -0.54 0.44 -0.36 -1.23 0.00 0.00 174.94 173.23 1x5f s PHE 90 N 1.70 3.72 -0.10 3.97 0.40 -0.63 -2.84 117.98 124.19 1x5f s PHE 90 Ca 0.05 1.01 -0.02 0.00 -0.60 0.00 0.00 56.93 57.37 1x5f s PHE 90 Cb -0.23 -2.31 0.04 0.00 0.51 0.00 0.00 43.02 41.03 1x5f s PHE 90 CO 0.07 0.61 0.01 1.03 0.70 0.00 0.00 175.22 177.65 1x5f s ARG 91 N -1.22 0.59 0.09 0.44 0.52 -0.03 -0.72 118.95 118.62 1x5f s ARG 91 Ca 0.26 -0.01 -0.05 0.00 -0.52 0.00 0.00 55.73 55.42 1x5f s ARG 91 Cb -0.17 -1.24 -0.05 0.00 0.52 0.00 0.00 34.95 34.01 1x5f s ARG 91 CO 0.15 -0.39 0.32 0.08 0.02 0.00 0.00 175.30 175.48 1x5f s VAL 92 N 1.96 5.23 -0.17 3.52 1.01 -1.26 -0.50 120.40 130.18 1x5f s VAL 92 Ca 0.04 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 1x5f s VAL 92 Cb -0.13 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1x5f s VAL 92 CO -0.06 0.16 0.50 -0.32 0.00 0.00 0.00 175.10 175.38 1x5f s MET 93 N -2.34 0.61 0.34 2.72 0.00 -0.22 0.46 119.30 120.87 1x5f s MET 93 Ca 0.36 0.64 -0.12 0.00 0.00 0.00 0.00 55.69 56.57 1x5f s MET 93 Cb -0.13 0.29 -0.08 0.00 0.00 0.00 0.00 34.83 34.92 1x5f s MET 93 CO 0.23 -0.08 0.72 0.00 0.00 0.00 0.00 175.02 175.88 1x5f s ALA 94 N 0.13 3.38 -0.05 4.11 0.00 -1.26 -0.09 121.76 127.98 1x5f s ALA 94 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 1x5f s ALA 94 Cb -0.03 -2.68 0.04 0.00 0.00 0.00 0.00 23.12 20.44 1x5f s ALA 94 CO 0.01 0.22 0.09 -0.65 0.00 0.00 0.00 175.76 175.43 1x5f s GLN 95 N -3.32 -0.03 0.30 0.00 -0.21 0.81 -3.01 119.66 114.20 1x5f s GLN 95 Ca 0.52 0.41 0.00 0.00 0.02 0.00 0.00 55.36 56.31 1x5f s GLN 95 Cb -0.10 -0.39 -0.00 0.00 1.00 0.00 0.00 33.01 33.52 1x5f s GLN 95 CO 0.24 -0.29 0.00 0.27 -2.12 0.00 0.00 175.29 173.39 1x5f n ASN 96 N 5.11 2.78 -0.28 5.90 0.23 -1.10 0.77 115.26 128.67 1x5f n ASN 96 Ca -0.08 -2.33 0.26 0.00 -0.53 0.00 0.00 54.58 51.90 1x5f n ASN 96 Cb 0.50 0.23 0.46 0.00 -2.08 0.00 0.00 39.78 38.88 1x5f n ASN 96 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1x5f n LYS 97 N -0.75 -0.04 0.00 -3.83 4.81 -1.26 -0.84 118.16 116.26 1x5f n LYS 97 Ca -0.12 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 1x5f n LYS 97 Cb 0.38 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.63 1x5f n LYS 97 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1x5f n HIS 98 N -4.43 0.00 0.00 5.64 8.25 -1.26 -5.08 115.22 118.34 1x5f n HIS 98 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1x5f n HIS 98 Cb 1.03 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1x5f n HIS 98 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x5f n GLY 99 N 0.39 -0.57 3.65 -1.41 0.00 -0.02 -5.10 105.19 102.13 1x5f n GLY 99 Ca 0.00 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1x5f n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5f s SER 100 N -4.00 6.99 0.00 1.61 1.04 -1.26 -2.72 113.70 115.36 1x5f s SER 100 Ca 0.00 1.17 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1x5f s SER 100 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1x5f s SER 100 CO 0.00 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1x5f n GLY 101 N 3.67 1.60 3.42 7.32 0.00 -1.16 -4.97 105.19 115.07 1x5f n GLY 101 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1x5f n GLY 101 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x5f s GLU 102 N 0.19 2.57 -0.32 1.61 2.12 -1.25 -4.97 118.70 118.65 1x5f s GLU 102 Ca 0.00 -0.74 -0.26 0.00 0.36 0.00 0.00 54.97 54.33 1x5f s GLU 102 Cb 0.00 -2.35 0.01 0.00 0.26 0.00 0.00 34.13 32.05 1x5f s GLU 102 CO 0.00 0.54 0.91 -1.54 -0.54 0.00 0.00 175.26 174.63 1x5f s SER 103 N -0.53 6.77 0.96 -1.70 1.04 -1.26 -2.63 113.70 116.35 1x5f s SER 103 Ca 0.07 0.80 -0.13 0.00 0.48 0.00 0.00 55.95 57.17 1x5f s SER 103 Cb -0.11 -2.46 0.13 0.00 0.10 0.00 0.00 66.02 63.67 1x5f s SER 103 CO 0.01 -0.74 0.17 -1.54 0.98 0.00 0.00 173.24 172.12 1x5f n SER 104 N 6.51 -2.86 -4.78 7.02 3.41 0.17 -4.90 113.62 118.19 1x5f n SER 104 Ca 0.07 -0.31 -0.36 0.00 -0.26 0.00 0.00 58.87 58.02 1x5f n SER 104 Cb 0.48 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 1x5f n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5f s ALA 105 N -2.07 2.96 -0.13 7.33 0.00 -1.26 -4.67 121.76 123.91 1x5f s ALA 105 Ca 0.34 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 1x5f s ALA 105 Cb -0.05 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1x5f s ALA 105 CO 0.34 -0.37 1.55 -1.25 0.00 0.00 0.00 175.76 176.03 1x5f s PRO 106 N -2.86 4.07 -0.33 0.00 0.04 -1.26 -4.64 135.00 130.03 1x5f s PRO 106 Ca 0.63 1.90 -0.16 0.00 0.04 0.00 0.00 61.00 63.42 1x5f s PRO 106 Cb -0.21 -3.95 -0.01 0.00 0.04 0.00 0.00 34.50 30.36 1x5f s PRO 106 CO 0.26 -0.95 0.39 -1.17 0.04 0.00 0.00 177.00 175.57 1x5f s LEU 107 N 4.27 4.36 -0.48 -3.56 2.96 0.10 -4.90 118.68 121.44 1x5f s LEU 107 Ca 0.68 -0.12 -0.28 0.00 -0.22 0.00 0.00 54.13 54.19 1x5f s LEU 107 Cb -0.28 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.05 1x5f s LEU 107 CO 0.26 -0.34 1.08 -0.60 -1.32 0.00 0.00 176.35 175.43 1x5f s ARG 108 N 2.08 3.66 -0.08 1.98 3.52 -1.26 -1.60 118.95 127.25 1x5f s ARG 108 Ca 0.13 0.44 0.04 0.00 -0.13 0.00 0.00 55.73 56.21 1x5f s ARG 108 Cb -0.16 -3.92 -0.00 0.00 -1.56 0.00 0.00 34.95 29.31 1x5f s ARG 108 CO 0.12 -1.35 -0.21 0.08 -0.81 0.00 0.00 175.30 173.12 1x5f s VAL 109 N 4.28 1.82 -0.20 7.11 1.01 -0.29 -4.96 120.40 129.17 1x5f s VAL 109 Ca 0.45 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1x5f s VAL 109 Cb -0.08 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1x5f s VAL 109 CO 0.30 0.51 -0.07 -0.70 0.00 0.00 0.00 175.10 175.14 1x5f s GLU 110 N 0.23 3.33 1.14 2.72 2.12 -1.26 0.23 118.70 127.21 1x5f s GLU 110 Ca -0.13 -0.66 -0.19 0.00 0.36 0.00 0.00 54.97 54.36 1x5f s GLU 110 Cb -0.16 -2.91 0.29 0.00 0.26 0.00 0.00 34.13 31.62 1x5f s GLU 110 CO 0.06 -0.14 0.83 0.25 -0.54 0.00 0.00 175.26 175.72 1x5f n THR 111 N 4.60 0.00 -4.45 -1.70 -2.24 -1.23 -4.92 114.28 104.35 1x5f n THR 111 Ca -0.19 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.05 1x5f n THR 111 Cb 0.51 -1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 67.62 1x5f n THR 111 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1x5f s GLN 112 N -4.93 2.75 -0.25 -0.78 -1.52 -1.26 -3.74 119.66 109.92 1x5f s GLN 112 Ca 0.58 -0.58 -0.29 0.00 -1.95 0.00 0.00 55.36 53.12 1x5f s GLN 112 Cb -0.08 -2.62 -0.02 0.00 -0.22 0.00 0.00 33.01 30.06 1x5f s GLN 112 CO 0.47 0.65 1.63 -1.25 -0.25 0.00 0.00 175.29 176.53 1x5f s PRO 113 N -1.17 3.70 -0.66 2.91 0.04 -1.26 -3.04 135.00 135.53 1x5f s PRO 113 Ca 0.16 1.57 -0.18 0.00 0.04 0.00 0.00 61.00 62.59 1x5f s PRO 113 Cb -0.11 -4.06 0.13 0.00 0.04 0.00 0.00 34.50 30.50 1x5f s PRO 113 CO 0.05 -1.41 0.73 -1.83 0.04 0.00 0.00 177.00 174.58 1x5f s GLU 114 N 4.85 3.18 -0.08 4.56 -1.05 -1.26 -4.97 118.70 123.93 1x5f s GLU 114 Ca 0.72 -1.61 -0.03 0.00 -0.15 0.00 0.00 54.97 53.90 1x5f s GLU 114 Cb -0.24 -4.37 0.04 0.00 -0.44 0.00 0.00 34.13 29.13 1x5f s GLU 114 CO 0.30 -1.49 0.11 0.45 0.95 0.00 0.00 175.26 175.58 1x5f s SER 115 N 3.40 1.15 0.00 0.83 0.15 -1.26 -5.11 113.70 112.85 1x5f s SER 115 Ca 0.13 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1x5f s SER 115 Cb -0.21 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1x5f s SER 115 CO 0.02 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1x5f n GLY 116 N 5.31 4.90 3.56 9.45 0.00 -1.26 -5.04 105.19 122.10 1x5f n GLY 116 Ca -0.04 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1x5f n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5f s PRO 117 N -4.62 2.59 0.03 1.61 0.04 -1.26 -4.62 135.00 128.77 1x5f s PRO 117 Ca 0.00 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1x5f s PRO 117 Cb 0.00 -4.75 0.00 0.00 0.04 0.00 0.00 34.50 29.79 1x5f s PRO 117 CO 0.00 -3.08 0.00 0.45 0.04 0.00 0.00 177.00 174.41 1x5f n SER 118 N 13.41 0.14 -3.39 6.66 2.88 -1.26 -5.13 113.62 126.93 1x5f n SER 118 Ca 0.31 0.05 0.02 0.00 -1.33 0.00 0.00 58.87 57.92 1x5f n SER 118 Cb 0.49 -0.02 -0.05 0.00 -0.75 0.00 0.00 64.21 63.89 1x5f n SER 118 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5f s SER 119 N -4.87 -0.37 0.00 -3.46 1.04 -1.26 -5.31 113.70 99.47 1x5f s SER 119 Ca 0.00 0.52 0.24 0.00 0.48 0.00 0.00 55.95 57.19 1x5f s SER 119 Cb 0.00 1.37 0.19 0.00 0.10 0.00 0.00 66.02 67.67 1x5f s SER 119 CO 0.00 -0.08 1.25 0.61 0.98 0.00 0.00 173.24 176.00