#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 -0.56 0.15 1.61 1.04 -1.26 -5.18 113.70 109.50 1x5f s SER 2 Ca 0.00 0.42 -0.24 0.00 0.48 0.00 0.00 55.95 56.62 1x5f s SER 2 Cb 0.00 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.69 1x5f s SER 2 CO 0.00 -0.65 0.65 -0.55 0.98 0.00 0.00 173.24 173.66 1x5f s SER 3 N -1.68 -0.52 0.35 7.02 0.15 -1.26 -5.19 113.70 112.57 1x5f s SER 3 Ca -0.05 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.58 1x5f s SER 3 Cb -0.00 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 1x5f s SER 3 CO 0.01 -0.96 0.12 -0.83 1.20 0.00 0.00 173.24 172.78 1x5f s GLY 4 N -2.73 2.26 0.45 9.45 0.00 -1.26 -5.17 107.32 110.32 1x5f s GLY 4 Ca 0.02 -1.63 0.07 0.00 0.00 0.00 0.00 44.72 43.19 1x5f s GLY 4 CO -0.11 -1.75 0.38 -0.45 0.00 0.00 0.00 173.10 171.17 1x5f s SER 5 N -3.49 4.87 -0.02 1.64 0.15 -1.26 -5.07 113.70 110.52 1x5f s SER 5 Ca 0.31 -0.91 -0.00 0.00 0.70 0.00 0.00 55.95 56.05 1x5f s SER 5 Cb 0.05 -0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 64.07 1x5f s SER 5 CO 0.15 -0.78 -0.02 -1.54 1.20 0.00 0.00 173.24 172.26 1x5f n SER 6 N -1.59 2.72 -0.75 5.45 3.41 -1.26 -5.12 113.62 116.47 1x5f n SER 6 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1x5f n SER 6 Cb 0.63 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1x5f n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5f n GLY 7 N 3.26 -1.44 3.60 5.00 0.00 -1.26 -5.14 105.19 109.20 1x5f n GLY 7 Ca -0.03 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 1x5f n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x5f s GLU 8 N -0.26 0.78 0.04 1.61 1.03 -1.26 -5.06 118.70 115.58 1x5f s GLU 8 Ca 0.00 0.58 -0.17 0.00 0.03 0.00 0.00 54.97 55.41 1x5f s GLU 8 Cb 0.00 0.37 -0.22 0.00 -0.80 0.00 0.00 34.13 33.48 1x5f s GLU 8 CO 0.00 -0.16 1.16 1.12 -1.33 0.00 0.00 175.26 176.05 1x5f h HIS 9 N 3.91 0.83 -3.55 4.83 2.07 -2.08 -3.44 115.15 117.71 1x5f h HIS 9 Ca -0.27 -0.44 -0.52 0.00 -2.85 0.00 0.00 60.37 56.29 1x5f h HIS 9 Cb 1.16 -0.10 -0.03 0.00 2.57 0.00 0.00 27.41 31.01 1x5f h HIS 9 CO 0.35 1.27 0.28 0.00 -3.07 0.00 0.00 177.93 176.76 1x5f s ALA 10 N -3.33 3.32 -1.89 6.11 0.00 -1.26 -4.93 121.76 119.78 1x5f s ALA 10 Ca -0.12 0.47 0.16 0.00 0.00 0.00 0.00 51.96 52.47 1x5f s ALA 10 Cb 0.05 -3.15 0.90 0.00 0.00 0.00 0.00 23.12 20.93 1x5f s ALA 10 CO 0.87 0.08 1.36 -0.35 0.00 0.00 0.00 175.76 177.72 1x5f n PRO 11 N 2.44 0.44 -2.81 0.00 -0.04 -1.26 -4.83 135.00 128.93 1x5f n PRO 11 Ca -0.01 0.03 -0.08 0.00 -0.04 0.00 0.00 63.50 63.40 1x5f n PRO 11 Cb 0.49 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1x5f n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5f n ALA 12 N -1.05 -0.44 -2.30 0.55 0.00 -1.26 -5.03 120.51 110.97 1x5f n ALA 12 Ca 0.11 0.14 -0.32 0.00 0.00 0.00 0.00 53.44 53.36 1x5f n ALA 12 Cb 0.07 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 17.29 1x5f n ALA 12 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1x5f s THR 13 N -3.03 4.82 -0.04 0.00 -1.32 -1.26 -5.09 115.64 109.73 1x5f s THR 13 Ca 0.19 0.69 -0.02 0.00 -1.21 0.00 0.00 61.69 61.34 1x5f s THR 13 Cb -0.08 -3.63 0.03 0.00 -1.51 0.00 0.00 72.50 67.31 1x5f s THR 13 CO 0.23 -0.09 0.05 0.42 -2.21 0.00 0.00 174.62 173.03 1x5f s THR 14 N -1.85 -0.08 0.56 5.08 -4.23 -1.26 -5.10 115.64 108.75 1x5f s THR 14 Ca 0.49 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 1x5f s THR 14 Cb -0.11 -0.16 0.00 0.00 1.34 0.00 0.00 72.50 73.57 1x5f s THR 14 CO 0.20 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1x5f n GLY 15 N 5.16 -3.42 3.67 3.99 0.00 -1.26 -4.92 105.19 108.40 1x5f n GLY 15 Ca -0.06 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 1x5f n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5f s PRO 16 N -4.35 0.26 0.18 1.61 0.04 -1.26 -5.08 135.00 126.39 1x5f s PRO 16 Ca 0.00 0.47 0.10 0.00 0.04 0.00 0.00 61.00 61.61 1x5f s PRO 16 Cb 0.00 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 1x5f s PRO 16 CO 0.00 -2.84 -0.21 -0.51 0.04 0.00 0.00 177.00 173.48 1x5f s LEU 17 N -6.51 2.43 0.96 -3.56 1.43 -1.26 -4.91 118.68 107.26 1x5f s LEU 17 Ca 0.66 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 1x5f s LEU 17 Cb -0.18 -1.02 0.17 0.00 0.03 0.00 0.00 46.19 45.19 1x5f s LEU 17 CO 0.58 0.05 1.09 -2.16 0.23 0.00 0.00 176.35 176.14 1x5f s PRO 18 N -2.69 0.73 -0.16 1.29 0.04 -1.26 -4.91 135.00 128.03 1x5f s PRO 18 Ca 0.18 0.63 -0.05 0.00 0.04 0.00 0.00 61.00 61.81 1x5f s PRO 18 Cb -0.07 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1x5f s PRO 18 CO 0.08 -2.56 -0.01 0.45 0.04 0.00 0.00 177.00 175.00 1x5f s SER 19 N -3.44 4.98 0.38 6.66 0.15 -1.26 -3.00 113.70 118.17 1x5f s SER 19 Ca 0.65 -0.09 -0.13 0.00 0.70 0.00 0.00 55.95 57.08 1x5f s SER 19 Cb -0.18 -1.82 -0.11 0.00 -1.71 0.00 0.00 66.02 62.20 1x5f s SER 19 CO 0.57 0.16 -0.12 0.00 1.20 0.00 0.00 173.24 175.06 1x5f n ALA 20 N 3.58 -2.73 -1.16 5.45 0.00 -1.22 -4.53 120.51 119.89 1x5f n ALA 20 Ca -0.17 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 1x5f n ALA 20 Cb 0.52 -0.98 0.18 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.75 0.38 0.20 0.00 0.04 -1.26 -4.60 135.00 129.01 1x5f s PRO 21 Ca 0.40 0.51 0.01 0.00 0.04 0.00 0.00 61.00 61.95 1x5f s PRO 21 Cb -0.34 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1x5f s PRO 21 CO 0.47 -2.76 0.07 0.54 0.04 0.00 0.00 177.00 175.36 1x5f n ARG 22 N -4.20 1.38 -2.89 4.56 3.00 -1.22 -4.71 116.66 112.58 1x5f n ARG 22 Ca 0.05 -1.37 -0.16 0.00 -0.01 0.00 0.00 57.85 56.37 1x5f n ARG 22 Cb 0.57 0.28 -0.01 0.00 0.00 0.00 0.00 32.46 33.30 1x5f n ARG 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1x5f n ASP 23 N -1.47 -3.38 -4.57 0.55 2.03 -1.26 -0.38 116.55 108.06 1x5f n ASP 23 Ca -0.05 -0.04 -0.40 0.00 0.52 0.00 0.00 54.79 54.82 1x5f n ASP 23 Cb 0.24 -2.86 -0.03 0.00 -0.72 0.00 0.00 41.12 37.75 1x5f n ASP 23 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1x5f s VAL 24 N -2.68 3.35 0.19 5.18 1.01 -1.26 -3.99 120.40 122.20 1x5f s VAL 24 Ca 0.19 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1x5f s VAL 24 Cb -0.10 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1x5f s VAL 24 CO 0.23 -0.58 0.15 0.68 0.00 0.00 0.00 175.10 175.59 1x5f s VAL 25 N 8.58 0.03 -0.45 2.92 -7.23 -0.11 -5.00 120.40 119.14 1x5f s VAL 25 Ca 0.77 -1.89 -0.12 0.00 -1.81 0.00 0.00 61.98 58.92 1x5f s VAL 25 Cb -0.17 -2.33 0.08 0.00 0.56 0.00 0.00 36.38 34.51 1x5f s VAL 25 CO 0.27 -0.13 0.33 0.00 -0.31 0.00 0.00 175.10 175.26 1x5f s ALA 26 N -4.11 3.43 0.46 1.32 0.00 -1.26 0.30 121.76 121.90 1x5f s ALA 26 Ca 0.33 -2.16 0.15 0.00 0.00 0.00 0.00 51.96 50.28 1x5f s ALA 26 Cb 0.06 -2.87 1.10 0.00 0.00 0.00 0.00 23.12 21.42 1x5f s ALA 26 CO 0.09 -1.70 2.04 1.03 0.00 0.00 0.00 175.76 177.21 1x5f h SER 27 N 8.58 0.25 -5.00 0.00 0.87 -1.17 -3.44 113.55 113.64 1x5f h SER 27 Ca -0.26 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.23 1x5f h SER 27 Cb 1.10 -0.05 -0.18 0.00 -0.44 0.00 0.00 62.40 62.82 1x5f h SER 27 CO 0.82 0.16 0.06 -0.22 -0.53 0.00 0.00 176.83 177.12 1x5f s LEU 28 N -9.22 -0.20 -0.31 2.23 0.20 -1.03 -4.98 118.68 105.37 1x5f s LEU 28 Ca -0.07 0.44 0.01 0.00 0.69 0.00 0.00 54.13 55.21 1x5f s LEU 28 Cb 0.19 2.17 0.09 0.00 -0.43 0.00 0.00 46.19 48.21 1x5f s LEU 28 CO 0.72 -0.61 0.05 -0.69 -0.29 0.00 0.00 176.35 175.54 1x5f s VAL 29 N -1.57 1.51 0.56 1.68 1.01 -1.26 0.12 120.40 122.44 1x5f s VAL 29 Ca -0.10 -1.70 -0.04 0.00 0.00 0.00 0.00 61.98 60.14 1x5f s VAL 29 Cb -0.01 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1x5f s VAL 29 CO 0.06 -0.54 0.84 -0.55 0.00 0.00 0.00 175.10 174.91 1x5f s SER 30 N 1.32 5.55 0.47 3.32 0.15 0.21 -4.60 113.70 120.11 1x5f s SER 30 Ca 0.07 0.50 0.26 0.00 0.70 0.00 0.00 55.95 57.48 1x5f s SER 30 Cb -0.18 -1.52 0.60 0.00 -1.71 0.00 0.00 66.02 63.21 1x5f s SER 30 CO -0.15 -1.03 1.70 0.71 1.20 0.00 0.00 173.24 175.67 1x5f h THR 31 N -0.04 0.00 -0.00 6.45 1.35 -1.96 -3.24 112.91 115.47 1x5f h THR 31 Ca -0.45 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 1x5f h THR 31 Cb 1.27 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1x5f h THR 31 CO 0.59 0.00 -0.08 0.54 -0.25 0.00 0.00 175.52 176.31 1x5f n ARG 32 N -3.10 3.00 -3.72 4.72 1.74 -1.26 -2.25 116.66 115.78 1x5f n ARG 32 Ca 0.03 -0.33 -0.08 0.00 -0.77 0.00 0.00 57.85 56.71 1x5f n ARG 32 Cb 0.47 -0.85 0.03 0.00 -1.02 0.00 0.00 32.46 31.10 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 -0.49 -2.14 -3.69 -1.55 1.16 -1.22 -1.53 117.46 107.99 1x5f n PHE 33 Ca 0.01 -1.70 -0.12 0.00 -1.87 0.00 0.00 57.45 53.78 1x5f n PHE 33 Cb 0.07 0.85 -0.12 0.00 -1.61 0.00 0.00 39.48 38.67 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 -2.11 -0.22 -0.14 1.97 1.01 -0.99 0.67 121.20 121.39 1x5f s ILE 34 Ca 0.17 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.73 1x5f s ILE 34 Cb -0.04 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 1x5f s ILE 34 CO 0.10 0.07 0.86 -0.75 0.00 0.00 0.00 174.94 175.22 1x5f s LYS 35 N 1.79 4.35 0.17 2.79 2.47 0.31 -2.19 119.74 129.43 1x5f s LYS 35 Ca -0.06 1.09 0.06 0.00 -1.56 0.00 0.00 55.97 55.50 1x5f s LYS 35 Cb -0.11 -3.55 -0.04 0.00 -1.46 0.00 0.00 37.83 32.68 1x5f s LYS 35 CO -0.10 -0.27 0.07 -0.51 0.16 0.00 0.00 175.35 174.70 1x5f s LEU 36 N 1.92 3.57 -0.24 5.43 2.01 -0.38 -0.70 118.68 130.29 1x5f s LEU 36 Ca 0.41 -0.26 -0.10 0.00 0.01 0.00 0.00 54.13 54.18 1x5f s LEU 36 Cb -0.17 -2.20 0.09 0.00 0.01 0.00 0.00 46.19 43.92 1x5f s LEU 36 CO 0.15 0.08 0.55 0.42 1.01 0.00 0.00 176.35 178.55 1x5f s THR 37 N -1.75 -0.45 0.23 5.49 -4.23 0.15 -2.46 115.64 112.61 1x5f s THR 37 Ca 0.29 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.87 1x5f s THR 37 Cb -0.10 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.88 1x5f s THR 37 CO 0.21 0.03 0.14 -1.66 -0.54 0.00 0.00 174.62 172.80 1x5f s TRP 38 N 2.20 1.32 0.58 3.99 -2.14 -0.19 -0.93 118.94 123.77 1x5f s TRP 38 Ca -0.07 -1.38 0.08 0.00 2.66 0.00 0.00 56.10 57.40 1x5f s TRP 38 Cb -0.10 -0.65 0.08 0.00 -3.10 0.00 0.00 33.47 29.70 1x5f s TRP 38 CO -0.16 -0.61 0.66 1.03 -2.66 0.00 0.00 176.95 175.21 1x5f s ARG 39 N -4.04 2.23 0.40 3.25 0.52 0.48 -4.68 118.95 117.12 1x5f s ARG 39 Ca 0.39 -1.85 -0.25 0.00 -0.52 0.00 0.00 55.73 53.49 1x5f s ARG 39 Cb 0.06 -2.40 -0.09 0.00 0.52 0.00 0.00 34.95 33.05 1x5f s ARG 39 CO 0.14 -0.84 1.13 0.95 0.02 0.00 0.00 175.30 176.70 1x5f s THR 40 N -2.75 3.35 0.65 0.02 -4.23 -1.26 -3.40 115.64 108.02 1x5f s THR 40 Ca 0.50 1.10 -0.15 0.00 -1.18 0.00 0.00 61.69 61.96 1x5f s THR 40 Cb -0.04 -3.60 -0.00 0.00 1.34 0.00 0.00 72.50 70.19 1x5f s THR 40 CO 0.32 0.07 1.11 -2.16 -0.54 0.00 0.00 174.62 173.42 1x5f s PRO 41 N -2.33 2.82 0.38 3.99 0.04 -1.08 -4.28 135.00 134.53 1x5f s PRO 41 Ca 0.57 1.40 0.07 0.00 0.04 0.00 0.00 61.00 63.08 1x5f s PRO 41 Cb -0.28 -1.95 0.81 0.00 0.04 0.00 0.00 34.50 33.11 1x5f s PRO 41 CO 0.35 -1.23 1.97 0.00 0.04 0.00 0.00 177.00 178.13 1x5f h ALA 42 N 0.08 1.76 -0.39 8.56 0.00 -1.81 -1.80 119.26 125.66 1x5f h ALA 42 Ca -0.47 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 1x5f h ALA 42 Cb 1.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1x5f h ALA 42 CO 0.54 0.13 -0.36 1.03 0.00 0.00 0.00 179.25 180.59 1x5f h SER 43 N 0.67 0.99 -3.45 0.00 0.87 -1.92 -3.40 113.55 107.31 1x5f h SER 43 Ca 0.29 -0.46 -0.62 0.00 -1.23 0.00 0.00 61.79 59.77 1x5f h SER 43 Cb 0.28 -0.28 -0.40 0.00 -0.44 0.00 0.00 62.40 61.56 1x5f h SER 43 CO -0.09 1.25 -0.74 -1.81 -0.53 0.00 0.00 176.83 174.90 1x5f s ASP 44 N -6.81 4.38 0.21 6.23 1.01 -0.69 -4.97 116.67 116.04 1x5f s ASP 44 Ca -0.11 -1.85 0.22 0.00 0.71 0.00 0.00 52.55 51.51 1x5f s ASP 44 Cb 0.11 -1.26 0.91 0.00 1.01 0.00 0.00 42.92 43.69 1x5f s ASP 44 CO 0.88 -0.38 1.66 -0.81 0.21 0.00 0.00 175.17 176.73 1x5f n PRO 45 N 4.54 0.16 -0.02 8.23 -0.04 -1.18 -2.65 135.00 144.04 1x5f n PRO 45 Ca 0.00 0.40 -0.01 0.00 -0.04 0.00 0.00 63.50 63.85 1x5f n PRO 45 Cb 0.42 -1.80 -0.05 0.00 -0.04 0.00 0.00 33.50 32.02 1x5f n PRO 45 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1x5f n HIS 46 N -2.10 0.00 -3.13 0.54 8.25 -1.26 -4.78 115.22 112.74 1x5f n HIS 46 Ca 0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.26 1x5f n HIS 46 Cb 0.21 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 31.01 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 2.40 -0.26 0.03 -1.41 0.00 -1.16 -4.69 105.19 100.09 1x5f n GLY 47 Ca -0.07 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 0.63 -0.99 1.61 9.92 -1.26 -3.84 116.55 121.42 1x5f n ASP 48 Ca 0.06 -0.23 0.08 0.00 -0.53 0.00 0.00 54.79 54.17 1x5f n ASP 48 Cb 0.29 0.57 0.26 0.00 -0.64 0.00 0.00 41.12 41.59 1x5f n ASP 48 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1x5f n ASN 49 N -1.83 3.94 -3.75 -2.24 2.04 -1.26 -4.62 115.26 107.54 1x5f n ASN 49 Ca 0.03 -2.78 -0.13 0.00 -0.44 0.00 0.00 54.58 51.27 1x5f n ASN 49 Cb 0.40 -0.50 -0.14 0.00 -2.53 0.00 0.00 39.78 37.02 1x5f n ASN 49 CO 0.00 0.00 0.00 -1.48 -0.44 0.00 0.00 177.26 175.34 1x5f s LEU 50 N -2.40 0.65 0.63 -4.53 0.05 -1.25 -4.47 118.68 107.35 1x5f s LEU 50 Ca 0.40 0.41 -0.12 0.00 0.05 0.00 0.00 54.13 54.88 1x5f s LEU 50 Cb 0.31 0.57 -0.03 0.00 -2.05 0.00 0.00 46.19 44.98 1x5f s LEU 50 CO 0.12 -0.15 1.03 -0.89 -0.55 0.00 0.00 176.35 175.92 1x5f s THR 51 N 1.08 4.53 -0.16 5.48 2.01 0.16 -3.05 115.64 125.69 1x5f s THR 51 Ca -0.08 0.87 0.01 0.00 0.31 0.00 0.00 61.69 62.79 1x5f s THR 51 Cb -0.10 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.68 1x5f s THR 51 CO -0.06 -1.03 -0.18 -0.31 -0.69 0.00 0.00 174.62 172.35 1x5f s TYR 52 N -3.08 2.76 0.00 4.92 2.02 -1.26 0.10 117.35 122.81 1x5f s TYR 52 Ca 0.56 -1.31 -0.01 0.00 -0.37 0.00 0.00 57.07 55.95 1x5f s TYR 52 Cb -0.12 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 1x5f s TYR 52 CO 0.52 -0.62 0.11 -1.12 -1.57 0.00 0.00 175.55 172.86 1x5f s SER 53 N 1.00 5.84 -0.19 2.29 0.01 0.58 -2.72 113.70 120.51 1x5f s SER 53 Ca -0.02 0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.43 1x5f s SER 53 Cb -0.15 -1.71 0.03 0.00 0.21 0.00 0.00 66.02 64.41 1x5f s SER 53 CO -0.05 0.26 -0.13 -0.69 0.41 0.00 0.00 173.24 173.04 1x5f s VAL 54 N -1.24 1.73 -0.31 3.43 1.01 -1.10 -1.21 120.40 122.71 1x5f s VAL 54 Ca 0.25 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1x5f s VAL 54 Cb -0.12 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 1x5f s VAL 54 CO 0.16 0.29 0.16 -0.36 0.00 0.00 0.00 175.10 175.35 1x5f s PHE 55 N 1.38 3.18 -0.04 5.22 0.40 -0.09 -1.40 117.98 126.65 1x5f s PHE 55 Ca 0.01 -0.53 0.03 0.00 -0.60 0.00 0.00 56.93 55.83 1x5f s PHE 55 Cb -0.15 -2.37 -0.03 0.00 0.51 0.00 0.00 43.02 40.98 1x5f s PHE 55 CO -0.09 -0.44 -0.10 1.52 0.70 0.00 0.00 175.22 176.80 1x5f s TYR 56 N 1.62 2.83 -0.21 0.36 1.13 -0.92 -0.92 117.35 121.26 1x5f s TYR 56 Ca 0.05 -0.06 -0.27 0.00 -1.41 0.00 0.00 57.07 55.38 1x5f s TYR 56 Cb -0.17 -1.65 0.07 0.00 -1.10 0.00 0.00 41.96 39.12 1x5f s TYR 56 CO 0.07 0.29 0.73 -0.08 -2.51 0.00 0.00 175.55 174.05 1x5f s THR 57 N -0.84 0.00 0.22 -3.49 -1.32 -1.06 -2.05 115.64 107.10 1x5f s THR 57 Ca 0.13 0.00 -0.32 0.00 -1.21 0.00 0.00 61.69 60.30 1x5f s THR 57 Cb -0.11 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.77 1x5f s THR 57 CO 0.03 0.00 1.68 -0.75 -2.21 0.00 0.00 174.62 173.37 1x5f s LYS 58 N -0.11 4.13 0.52 7.08 2.20 -1.26 -0.34 119.74 131.96 1x5f s LYS 58 Ca -0.03 2.58 0.45 0.00 -0.36 0.00 0.00 55.97 58.61 1x5f s LYS 58 Cb -0.03 -3.07 1.67 0.00 -1.51 0.00 0.00 37.83 34.88 1x5f s LYS 58 CO 0.03 -0.72 1.57 -0.85 -0.36 0.00 0.00 175.35 175.02 1x5f n GLU 59 N 3.69 -0.01 -0.02 4.03 0.28 -1.25 0.29 120.64 127.65 1x5f n GLU 59 Ca 0.14 1.14 -0.21 0.00 -0.16 0.00 0.00 57.16 58.07 1x5f n GLU 59 Cb 0.36 -2.51 -0.13 0.00 1.43 0.00 0.00 31.44 30.59 1x5f n GLU 59 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1x5f h GLY 60 N 0.00 0.22 -1.70 -1.84 0.00 -1.90 -3.47 103.07 94.37 1x5f h GLY 60 Ca 0.93 -0.55 -0.50 0.00 0.00 0.00 0.00 47.33 47.21 1x5f h GLY 60 CO -0.16 0.48 0.38 -0.42 0.00 0.00 0.00 176.54 176.82 1x5f s ILE 61 N -2.47 3.76 -0.16 2.60 -1.09 0.15 -4.99 121.20 118.99 1x5f s ILE 61 Ca -0.23 0.81 0.15 0.00 -2.23 0.00 0.00 60.65 59.15 1x5f s ILE 61 Cb 0.05 -3.35 -0.20 0.00 -1.58 0.00 0.00 42.46 37.38 1x5f s ILE 61 CO 0.72 -0.51 0.06 0.00 -1.23 0.00 0.00 174.94 173.98 1x5f n ALA 62 N -2.14 1.60 -1.89 9.38 0.00 -1.26 -4.23 120.51 121.97 1x5f n ALA 62 Ca 0.09 -1.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.02 1x5f n ALA 62 Cb 0.53 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1x5f n ALA 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x5f s ARG 63 N -2.40 3.61 0.02 0.00 0.52 -1.26 -4.98 118.95 114.47 1x5f s ARG 63 Ca -0.08 1.88 0.07 0.00 -0.52 0.00 0.00 55.73 57.08 1x5f s ARG 63 Cb 0.05 -4.17 -0.03 0.00 0.52 0.00 0.00 34.95 31.32 1x5f s ARG 63 CO 0.67 -1.53 -0.20 -1.83 0.02 0.00 0.00 175.30 172.43 1x5f s GLU 64 N 5.22 2.08 -0.10 3.54 -1.05 -1.26 -4.64 118.70 122.49 1x5f s GLU 64 Ca 0.83 -0.96 -0.03 0.00 -0.15 0.00 0.00 54.97 54.65 1x5f s GLU 64 Cb -0.30 -2.16 -0.03 0.00 -0.44 0.00 0.00 34.13 31.20 1x5f s GLU 64 CO 0.33 0.55 0.03 1.03 0.95 0.00 0.00 175.26 178.15 1x5f s ARG 65 N -1.23 3.16 -0.04 -4.83 1.81 -0.87 -4.87 118.95 112.09 1x5f s ARG 65 Ca 0.13 -0.35 -0.10 0.00 -1.72 0.00 0.00 55.73 53.69 1x5f s ARG 65 Cb -0.10 -2.90 -0.05 0.00 -0.45 0.00 0.00 34.95 31.44 1x5f s ARG 65 CO 0.03 0.67 0.27 0.54 -0.68 0.00 0.00 175.30 176.14 1x5f s VAL 66 N -0.79 5.27 -0.26 3.52 0.11 -1.26 -2.16 120.40 124.83 1x5f s VAL 66 Ca 0.12 0.45 -0.01 0.00 -2.93 0.00 0.00 61.98 59.61 1x5f s VAL 66 Cb -0.12 -3.56 0.08 0.00 -1.53 0.00 0.00 36.38 31.26 1x5f s VAL 66 CO 0.02 0.54 0.04 -0.70 -3.33 0.00 0.00 175.10 171.68 1x5f s GLU 67 N -1.22 0.99 0.06 1.54 -6.30 -0.49 -4.92 118.70 108.37 1x5f s GLU 67 Ca 0.21 -0.95 -0.31 0.00 -2.50 0.00 0.00 54.97 51.43 1x5f s GLU 67 Cb -0.14 -2.27 -0.06 0.00 0.00 0.00 0.00 34.13 31.66 1x5f s GLU 67 CO 0.10 -0.80 1.19 -0.80 0.02 0.00 0.00 175.26 174.98 1x5f s ASN 68 N 1.57 7.09 0.06 -1.70 -0.87 -1.26 -2.70 114.94 117.12 1x5f s ASN 68 Ca 0.03 2.02 -0.33 0.00 -1.57 0.00 0.00 52.86 53.01 1x5f s ASN 68 Cb -0.18 -2.58 -0.12 0.00 -0.02 0.00 0.00 41.25 38.35 1x5f s ASN 68 CO -0.15 -0.46 1.77 0.35 -2.57 0.00 0.00 177.10 176.04 1x5f n THR 69 N 3.87 0.32 -0.58 1.60 -2.24 -1.10 -4.79 114.28 111.37 1x5f n THR 69 Ca 0.09 -0.06 0.45 0.00 -2.27 0.00 0.00 64.05 62.25 1x5f n THR 69 Cb 0.46 -1.85 0.70 0.00 -2.10 0.00 0.00 70.33 67.55 1x5f n THR 69 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1x5f n SER 70 N 5.27 0.05 -4.07 3.42 7.64 -1.26 -4.17 113.62 120.50 1x5f n SER 70 Ca 0.19 0.99 -0.18 0.00 1.01 0.00 0.00 58.87 60.88 1x5f n SER 70 Cb 0.32 -0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 62.89 1x5f n SER 70 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1x5f s HIS 71 N -4.77 0.95 0.07 1.43 3.76 -1.26 -5.13 115.29 110.35 1x5f s HIS 71 Ca -0.05 -0.27 -0.31 0.00 -0.15 0.00 0.00 55.06 54.28 1x5f s HIS 71 Cb 0.25 -0.59 -0.07 0.00 1.11 0.00 0.00 32.58 33.28 1x5f s HIS 71 CO 0.78 -0.01 1.39 -1.25 -0.85 0.00 0.00 174.74 174.81 1x5f s PRO 72 N -0.72 4.31 0.00 8.40 0.04 -1.26 -2.91 135.00 142.86 1x5f s PRO 72 Ca 0.01 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1x5f s PRO 72 Cb -0.06 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1x5f s PRO 72 CO 0.00 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1x5f n GLY 73 N 3.54 2.80 2.63 0.56 0.00 -1.17 -4.89 105.19 108.66 1x5f n GLY 73 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.15 0.00 -0.53 1.61 2.13 -1.15 -4.80 120.64 117.75 1x5f n GLU 74 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 1x5f n GLU 74 Cb 0.00 -1.11 0.28 0.00 0.27 0.00 0.00 31.44 30.88 1x5f n GLU 74 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1x5f n MET 75 N 1.11 3.33 -3.55 5.31 2.81 -1.26 -4.81 117.12 120.05 1x5f n MET 75 Ca 0.15 -2.21 -0.14 0.00 -1.81 0.00 0.00 57.70 53.70 1x5f n MET 75 Cb 0.07 -1.85 -0.05 0.00 -0.71 0.00 0.00 33.22 30.68 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 -1.94 0.81 0.03 0.03 0.00 -1.26 -1.02 119.66 116.30 1x5f s GLN 76 Ca 0.39 0.17 -0.21 0.00 -0.00 0.00 0.00 55.36 55.71 1x5f s GLN 76 Cb 0.27 0.38 0.05 0.00 0.00 0.00 0.00 33.01 33.70 1x5f s GLN 76 CO 0.16 -0.26 0.48 0.54 0.00 0.00 0.00 175.29 176.22 1x5f s VAL 77 N -1.23 0.04 -0.17 3.63 0.11 -1.03 -4.96 120.40 116.78 1x5f s VAL 77 Ca -0.05 -0.30 -0.06 0.00 -2.93 0.00 0.00 61.98 58.63 1x5f s VAL 77 Cb -0.00 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 1x5f s VAL 77 CO 0.05 -0.17 0.04 -0.89 -3.33 0.00 0.00 175.10 170.80 1x5f s THR 78 N -2.16 4.56 -0.60 5.04 2.01 -1.26 -1.24 115.64 121.98 1x5f s THR 78 Ca -0.07 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.72 1x5f s THR 78 Cb -0.01 -3.04 0.15 0.00 0.01 0.00 0.00 72.50 69.61 1x5f s THR 78 CO 0.00 0.47 0.48 -0.63 -0.69 0.00 0.00 174.62 174.25 1x5f s ILE 79 N 0.34 4.45 0.88 1.82 -1.09 -0.93 -4.96 121.20 121.70 1x5f s ILE 79 Ca 0.01 -2.24 -0.09 0.00 -2.23 0.00 0.00 60.65 56.10 1x5f s ILE 79 Cb -0.13 -3.87 0.19 0.00 -1.58 0.00 0.00 42.46 37.07 1x5f s ILE 79 CO 0.01 -0.87 1.20 -1.10 -1.23 0.00 0.00 174.94 172.95 1x5f s GLN 80 N 0.72 0.90 -0.84 2.79 -0.21 -1.26 -2.34 119.66 119.42 1x5f s GLN 80 Ca 0.11 -0.89 -0.00 0.00 0.02 0.00 0.00 55.36 54.60 1x5f s GLN 80 Cb -0.21 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 31.73 1x5f s GLN 80 CO -0.03 -2.11 0.70 0.09 -2.12 0.00 0.00 175.29 171.82 1x5f n ASN 81 N -3.40 -2.23 -4.49 5.90 3.02 -1.03 -4.92 115.26 108.11 1x5f n ASN 81 Ca 0.17 -0.43 -0.24 0.00 -0.03 0.00 0.00 54.58 54.06 1x5f n ASN 81 Cb 0.60 -3.70 -0.10 0.00 -0.61 0.00 0.00 39.78 35.96 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 -5.04 2.61 -0.14 3.41 1.43 -0.58 -5.03 118.68 115.33 1x5f s LEU 82 Ca 0.03 -1.20 -0.07 0.00 -1.03 0.00 0.00 54.13 51.85 1x5f s LEU 82 Cb -0.01 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1x5f s LEU 82 CO 0.51 -0.28 0.11 -0.32 0.23 0.00 0.00 176.35 176.60 1x5f s MET 83 N -3.67 3.59 0.73 1.70 -2.45 -1.26 -4.50 119.30 113.43 1x5f s MET 83 Ca 0.31 -0.20 -0.12 0.00 -1.25 0.00 0.00 55.69 54.43 1x5f s MET 83 Cb 0.03 -3.19 0.03 0.00 1.25 0.00 0.00 34.83 32.95 1x5f s MET 83 CO 0.14 0.63 1.10 -1.25 1.05 0.00 0.00 175.02 176.69 1x5f s PRO 84 N -0.61 2.48 -1.65 4.11 0.04 -0.96 -3.59 135.00 134.83 1x5f s PRO 84 Ca 0.12 1.26 -0.16 0.00 0.04 0.00 0.00 61.00 62.27 1x5f s PRO 84 Cb -0.12 -1.92 0.13 0.00 0.04 0.00 0.00 34.50 32.63 1x5f s PRO 84 CO 0.02 -1.48 0.76 0.00 0.04 0.00 0.00 177.00 176.34 1x5f n ALA 85 N -3.07 -1.36 -3.74 8.56 0.00 -1.15 -4.85 120.51 114.90 1x5f n ALA 85 Ca 0.10 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 1x5f n ALA 85 Cb 0.53 -3.32 -0.17 0.00 0.00 0.00 0.00 19.45 16.48 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 -3.39 0.27 0.34 0.00 2.01 -1.24 -4.89 115.64 108.75 1x5f s THR 86 Ca 0.63 0.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.52 1x5f s THR 86 Cb -0.34 -0.44 -0.10 0.00 0.01 0.00 0.00 72.50 71.62 1x5f s THR 86 CO 0.91 0.23 1.33 -0.69 -0.69 0.00 0.00 174.62 175.72 1x5f s VAL 87 N 1.89 2.62 -0.04 3.82 1.01 -1.26 -3.18 120.40 125.27 1x5f s VAL 87 Ca 0.03 0.62 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 1x5f s VAL 87 Cb -0.12 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1x5f s VAL 87 CO -0.04 0.15 0.10 -0.31 0.00 0.00 0.00 175.10 174.99 1x5f s TYR 88 N -1.14 -0.11 -0.44 5.22 2.02 0.74 -3.74 117.35 119.89 1x5f s TYR 88 Ca 0.50 0.27 -0.16 0.00 -0.37 0.00 0.00 57.07 57.31 1x5f s TYR 88 Cb -0.41 0.04 0.05 0.00 -0.40 0.00 0.00 41.96 41.23 1x5f s TYR 88 CO 0.54 -0.05 0.37 0.42 -1.57 0.00 0.00 175.55 175.26 1x5f s ILE 89 N 0.07 5.22 -0.04 2.71 -1.09 0.53 -0.44 121.20 128.16 1x5f s ILE 89 Ca -0.00 -0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 57.46 1x5f s ILE 89 Cb -0.01 -4.04 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 1x5f s ILE 89 CO 0.00 -0.46 0.42 -0.36 -1.23 0.00 0.00 174.94 173.31 1x5f s PHE 90 N 1.75 3.66 -0.10 3.97 0.40 0.16 -2.56 117.98 125.26 1x5f s PHE 90 Ca 0.06 0.94 -0.00 0.00 -0.60 0.00 0.00 56.93 57.32 1x5f s PHE 90 Cb -0.21 -2.36 0.02 0.00 0.51 0.00 0.00 43.02 40.98 1x5f s PHE 90 CO 0.09 0.49 -0.06 1.03 0.70 0.00 0.00 175.22 177.47 1x5f s ARG 91 N -0.53 1.28 -0.07 0.44 0.52 -0.09 -1.29 118.95 119.22 1x5f s ARG 91 Ca 0.24 -0.17 -0.11 0.00 -0.52 0.00 0.00 55.73 55.17 1x5f s ARG 91 Cb -0.16 -1.40 -0.05 0.00 0.52 0.00 0.00 34.95 33.86 1x5f s ARG 91 CO 0.12 -0.26 0.28 0.08 0.02 0.00 0.00 175.30 175.54 1x5f s VAL 92 N 1.71 5.27 -0.05 3.52 1.01 -1.26 -0.91 120.40 129.68 1x5f s VAL 92 Ca 0.04 0.53 -0.08 0.00 0.00 0.00 0.00 61.98 62.46 1x5f s VAL 92 Cb -0.13 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1x5f s VAL 92 CO -0.07 0.59 0.20 -0.32 0.00 0.00 0.00 175.10 175.50 1x5f s MET 93 N -0.97 0.35 0.39 2.72 0.00 -0.35 -0.31 119.30 121.13 1x5f s MET 93 Ca 0.19 0.08 -0.06 0.00 0.00 0.00 0.00 55.69 55.90 1x5f s MET 93 Cb -0.14 0.16 -0.05 0.00 0.00 0.00 0.00 34.83 34.80 1x5f s MET 93 CO 0.08 -0.07 0.69 0.00 0.00 0.00 0.00 175.02 175.73 1x5f s ALA 94 N -0.39 3.48 -0.10 4.11 0.00 -1.26 -0.31 121.76 127.29 1x5f s ALA 94 Ca -0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 1x5f s ALA 94 Cb -0.03 -2.49 0.05 0.00 0.00 0.00 0.00 23.12 20.64 1x5f s ALA 94 CO 0.01 -0.03 0.17 -0.65 0.00 0.00 0.00 175.76 175.26 1x5f s GLN 95 N -4.06 0.05 0.38 0.00 -0.21 0.29 -2.87 119.66 113.24 1x5f s GLN 95 Ca 0.47 0.56 0.01 0.00 0.02 0.00 0.00 55.36 56.42 1x5f s GLN 95 Cb -0.10 -0.32 -0.00 0.00 1.00 0.00 0.00 33.01 33.59 1x5f s GLN 95 CO 0.35 -0.33 0.03 0.27 -2.12 0.00 0.00 175.29 173.49 1x5f n ASN 96 N 5.33 2.58 -0.37 5.90 0.23 -1.14 0.40 115.26 128.18 1x5f n ASN 96 Ca -0.05 -2.73 0.31 0.00 -0.53 0.00 0.00 54.58 51.58 1x5f n ASN 96 Cb 0.50 0.42 0.51 0.00 -2.08 0.00 0.00 39.78 39.13 1x5f n ASN 96 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1x5f n LYS 97 N -0.92 -0.02 0.00 -3.83 2.85 -1.26 -0.67 118.16 114.31 1x5f n LYS 97 Ca -0.13 0.88 0.00 0.00 -1.05 0.00 0.00 58.31 58.01 1x5f n LYS 97 Cb 0.50 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 33.10 1x5f n LYS 97 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1x5f n HIS 98 N -3.99 0.00 0.00 5.58 8.25 -1.26 -5.08 115.22 118.72 1x5f n HIS 98 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1x5f n HIS 98 Cb 1.19 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.87 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 0.26 -0.58 3.61 -1.41 0.00 0.15 -5.10 105.19 102.13 1x5f n GLY 99 Ca 0.00 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 6.71 0.00 1.61 1.04 -1.26 -2.88 113.70 114.92 1x5f s SER 100 Ca 0.00 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1x5f s SER 100 Cb 0.00 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1x5f s SER 100 CO 0.00 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1x5f n GLY 101 N 4.28 0.84 3.90 7.32 0.00 -1.14 -4.99 105.19 115.41 1x5f n GLY 101 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 0.33 3.65 -0.31 1.61 2.56 -1.16 -5.00 118.70 120.38 1x5f s GLU 102 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.97 54.79 1x5f s GLU 102 Cb 0.00 -2.77 -0.02 0.00 2.00 0.00 0.00 34.13 33.33 1x5f s GLU 102 CO 0.00 0.39 0.37 -1.54 -0.56 0.00 0.00 175.26 173.92 1x5f s SER 103 N -2.62 6.21 0.99 -1.70 1.04 -1.26 -3.45 113.70 112.91 1x5f s SER 103 Ca 0.42 0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.70 1x5f s SER 103 Cb -0.12 -2.20 0.04 0.00 0.10 0.00 0.00 66.02 63.84 1x5f s SER 103 CO 0.25 -0.27 -0.26 -1.54 0.98 0.00 0.00 173.24 172.40 1x5f n SER 104 N 5.38 -2.70 -4.76 7.02 3.41 0.58 -4.87 113.62 117.68 1x5f n SER 104 Ca -0.09 -0.18 -0.37 0.00 -0.26 0.00 0.00 58.87 57.98 1x5f n SER 104 Cb 0.50 -0.73 0.03 0.00 -0.26 0.00 0.00 64.21 63.75 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 -2.10 2.71 -0.36 7.33 0.00 -1.26 -4.66 121.76 123.43 1x5f s ALA 105 Ca 0.38 1.09 -0.28 0.00 0.00 0.00 0.00 51.96 53.14 1x5f s ALA 105 Cb -0.03 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1x5f s ALA 105 CO 0.47 -1.11 1.70 -1.25 0.00 0.00 0.00 175.76 175.57 1x5f s PRO 106 N -3.07 3.37 -0.23 0.00 0.04 -1.26 -4.68 135.00 129.17 1x5f s PRO 106 Ca 0.73 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 62.85 1x5f s PRO 106 Cb -0.33 -4.16 -0.03 0.00 0.04 0.00 0.00 34.50 30.03 1x5f s PRO 106 CO 0.37 -1.81 0.57 -1.17 0.04 0.00 0.00 177.00 175.00 1x5f s LEU 107 N 6.58 4.10 -0.41 -3.56 2.96 -0.41 -4.89 118.68 123.05 1x5f s LEU 107 Ca 0.75 0.67 -0.24 0.00 -0.22 0.00 0.00 54.13 55.09 1x5f s LEU 107 Cb -0.20 -2.77 0.02 0.00 0.50 0.00 0.00 46.19 43.74 1x5f s LEU 107 CO 0.33 -0.28 0.81 -0.60 -1.32 0.00 0.00 176.35 175.29 1x5f s ARG 108 N 2.12 3.59 -0.13 1.98 3.00 -1.26 -0.67 118.95 127.59 1x5f s ARG 108 Ca 0.25 0.14 0.01 0.00 -1.00 0.00 0.00 55.73 55.13 1x5f s ARG 108 Cb -0.16 -3.87 0.02 0.00 0.00 0.00 0.00 34.95 30.94 1x5f s ARG 108 CO 0.09 -1.01 -0.16 0.08 0.00 0.00 0.00 175.30 174.30 1x5f s VAL 109 N 3.28 1.65 -0.24 7.11 1.01 0.42 -4.95 120.40 128.68 1x5f s VAL 109 Ca 0.32 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1x5f s VAL 109 Cb -0.12 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1x5f s VAL 109 CO 0.20 0.47 0.06 -0.70 0.00 0.00 0.00 175.10 175.13 1x5f s GLU 110 N 1.14 3.63 1.26 2.72 2.12 -1.26 -0.19 118.70 128.12 1x5f s GLU 110 Ca -0.02 -0.49 -0.21 0.00 0.36 0.00 0.00 54.97 54.61 1x5f s GLU 110 Cb -0.14 -3.29 0.32 0.00 0.26 0.00 0.00 34.13 31.29 1x5f s GLU 110 CO -0.05 -0.18 0.84 0.25 -0.54 0.00 0.00 175.26 175.57 1x5f n THR 111 N 4.88 0.00 -4.41 -1.70 -2.24 -1.19 -4.89 114.28 104.74 1x5f n THR 111 Ca -0.16 -0.13 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 1x5f n THR 111 Cb 0.51 -0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 67.66 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 -4.97 2.69 -0.32 -0.78 -0.21 -1.26 -3.67 119.66 111.14 1x5f s GLN 112 Ca 0.61 -0.64 -0.29 0.00 0.02 0.00 0.00 55.36 55.07 1x5f s GLN 112 Cb -0.09 -2.60 -0.01 0.00 1.00 0.00 0.00 33.01 31.31 1x5f s GLN 112 CO 0.50 0.63 1.68 -1.25 -2.12 0.00 0.00 175.29 174.73 1x5f s PRO 113 N -1.35 3.49 -0.48 2.91 0.04 -1.26 -2.93 135.00 135.41 1x5f s PRO 113 Ca 0.17 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.62 1x5f s PRO 113 Cb -0.11 -4.13 0.58 0.00 0.04 0.00 0.00 34.50 30.88 1x5f s PRO 113 CO 0.07 -1.67 1.92 -0.85 0.04 0.00 0.00 177.00 176.51 1x5f n GLU 114 N 8.19 2.29 -4.29 4.56 0.28 -1.26 -4.94 120.64 125.47 1x5f n GLU 114 Ca 0.21 -2.92 -0.25 0.00 -0.16 0.00 0.00 57.16 54.04 1x5f n GLU 114 Cb 0.47 -2.14 -0.08 0.00 1.43 0.00 0.00 31.44 31.11 1x5f n GLU 114 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1x5f s SER 115 N -1.30 4.25 0.11 -1.84 1.04 -1.26 -5.07 113.70 109.63 1x5f s SER 115 Ca 0.56 -1.04 -0.34 0.00 0.48 0.00 0.00 55.95 55.61 1x5f s SER 115 Cb 0.46 -0.52 -0.18 0.00 0.10 0.00 0.00 66.02 65.88 1x5f s SER 115 CO 0.07 -0.34 0.87 0.61 0.98 0.00 0.00 173.24 175.43 1x5f n GLY 116 N -1.04 -0.79 3.77 7.32 0.00 -1.26 -4.90 105.19 108.28 1x5f n GLY 116 Ca -0.03 0.55 -0.32 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.47 2.45 0.30 1.61 0.04 -1.26 -5.08 135.00 132.59 1x5f s PRO 117 Ca 0.77 1.25 0.03 0.00 0.04 0.00 0.00 61.00 63.09 1x5f s PRO 117 Cb -1.06 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 1x5f s PRO 117 CO 0.56 -1.51 0.15 -1.12 0.04 0.00 0.00 177.00 175.13 1x5f s SER 118 N -3.10 1.45 -0.07 6.66 0.01 -1.26 -5.16 113.70 112.23 1x5f s SER 118 Ca 0.63 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 56.36 1x5f s SER 118 Cb -0.18 0.37 0.02 0.00 0.21 0.00 0.00 66.02 66.44 1x5f s SER 118 CO 0.51 -0.87 -0.05 -0.55 0.41 0.00 0.00 173.24 172.68 1x5f s SER 119 N -3.36 1.49 0.00 2.44 0.15 -1.26 -5.31 113.70 107.86 1x5f s SER 119 Ca 0.36 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1x5f s SER 119 Cb 0.05 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 1x5f s SER 119 CO 0.17 -0.09 0.38 0.61 1.20 0.00 0.00 173.24 175.51