#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5f n SER 2 N 0.00 1.02 -2.06 1.61 7.64 -1.26 -5.05 113.62 115.51 1x5f n SER 2 Ca 0.00 0.16 -0.11 0.00 1.01 0.00 0.00 58.87 59.93 1x5f n SER 2 Cb 0.00 -0.38 0.04 0.00 -1.01 0.00 0.00 64.21 62.87 1x5f n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5f n SER 3 N -3.62 -3.72 0.00 6.43 2.88 -1.26 -5.03 113.62 109.30 1x5f n SER 3 Ca -0.13 -0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.14 1x5f n SER 3 Cb 0.43 -2.75 0.00 0.00 -0.75 0.00 0.00 64.21 61.14 1x5f n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5f n GLY 4 N -1.21 -2.51 3.13 0.46 0.00 -1.26 -5.06 105.19 98.74 1x5f n GLY 4 Ca -0.03 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 1x5f n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5f s SER 5 N -1.80 0.16 0.09 1.61 0.01 -1.26 -5.08 113.70 107.43 1x5f s SER 5 Ca 0.00 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1x5f s SER 5 Cb 0.00 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1x5f s SER 5 CO 0.00 -0.53 0.00 -0.24 0.41 0.00 0.00 173.24 172.88 1x5f n SER 6 N 0.68 0.48 -3.28 2.44 2.88 -1.26 -5.04 113.62 110.53 1x5f n SER 6 Ca -0.19 0.14 -0.07 0.00 -1.33 0.00 0.00 58.87 57.42 1x5f n SER 6 Cb 0.59 -0.09 0.01 0.00 -0.75 0.00 0.00 64.21 63.97 1x5f n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5f s GLY 7 N -4.55 0.17 0.02 0.46 0.00 -1.26 -4.99 107.32 97.18 1x5f s GLY 7 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1x5f s GLY 7 CO 0.00 0.12 0.00 1.18 0.00 0.00 0.00 173.10 174.40 1x5f n GLU 8 N -0.53 0.00 -3.75 2.90 4.71 -1.26 -5.15 120.64 117.56 1x5f n GLU 8 Ca -0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.05 1x5f n GLU 8 Cb 0.60 -0.20 -0.01 0.00 -1.01 0.00 0.00 31.44 30.81 1x5f n GLU 8 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 1x5f s HIS 9 N -2.00 -0.12 -0.34 -0.32 -3.43 -1.26 -5.14 115.29 102.68 1x5f s HIS 9 Ca 0.00 -0.17 -0.02 0.00 -0.80 0.00 0.00 55.06 54.06 1x5f s HIS 9 Cb 0.00 0.64 0.07 0.00 -1.43 0.00 0.00 32.58 31.85 1x5f s HIS 9 CO 0.00 -0.80 0.08 0.00 -2.00 0.00 0.00 174.74 172.01 1x5f s ALA 10 N -3.24 2.95 0.33 -1.38 0.00 -1.26 -5.09 121.76 114.06 1x5f s ALA 10 Ca 0.12 -2.02 -0.28 0.00 0.00 0.00 0.00 51.96 49.78 1x5f s ALA 10 Cb -0.01 -2.12 -0.10 0.00 0.00 0.00 0.00 23.12 20.89 1x5f s ALA 10 CO 0.02 -1.45 1.22 -1.25 0.00 0.00 0.00 175.76 174.30 1x5f s PRO 11 N 1.22 4.37 -0.38 0.00 0.04 -1.26 -4.88 135.00 134.11 1x5f s PRO 11 Ca -0.00 2.02 -0.39 0.00 0.04 0.00 0.00 61.00 62.67 1x5f s PRO 11 Cb -0.21 -3.02 -0.15 0.00 0.04 0.00 0.00 34.50 31.16 1x5f s PRO 11 CO -0.02 -0.10 2.06 0.00 0.04 0.00 0.00 177.00 178.98 1x5f n ALA 12 N 0.76 0.49 -2.61 8.56 0.00 -1.26 -4.86 120.51 121.58 1x5f n ALA 12 Ca 0.01 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 1x5f n ALA 12 Cb 0.44 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 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 5.99 4.54 -0.04 0.00 -1.32 -1.26 -5.02 115.64 118.53 1x5f s THR 13 Ca 1.10 1.82 0.01 0.00 -1.21 0.00 0.00 61.69 63.41 1x5f s THR 13 Cb -1.10 -4.31 0.02 0.00 -1.51 0.00 0.00 72.50 65.59 1x5f s THR 13 CO 0.59 -0.31 -0.05 0.42 -2.21 0.00 0.00 174.62 173.05 1x5f s THR 14 N 3.48 0.53 0.00 5.08 -4.23 -1.26 -5.10 115.64 114.14 1x5f s THR 14 Ca 0.46 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 1x5f s THR 14 Cb -0.15 -0.54 0.00 0.00 1.34 0.00 0.00 72.50 73.15 1x5f s THR 14 CO 0.12 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 1x5f n GLY 15 N 3.88 -1.61 3.77 3.99 0.00 -1.26 -4.98 105.19 108.98 1x5f n GLY 15 Ca -0.24 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.33 2.80 0.18 1.61 0.04 -1.26 -5.07 135.00 132.98 1x5f s PRO 16 Ca 0.00 1.39 0.11 0.00 0.04 0.00 0.00 61.00 62.53 1x5f s PRO 16 Cb 0.00 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1x5f s PRO 16 CO 0.00 -1.25 -0.21 -0.51 0.04 0.00 0.00 177.00 175.07 1x5f s LEU 17 N -4.87 2.56 0.00 -3.56 1.43 -1.26 -4.97 118.68 108.00 1x5f s LEU 17 Ca 0.67 -0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 52.83 1x5f s LEU 17 Cb -0.20 -1.30 0.24 0.00 0.03 0.00 0.00 46.19 44.95 1x5f s LEU 17 CO 0.42 0.12 0.85 -0.81 0.23 0.00 0.00 176.35 177.15 1x5f n PRO 18 N 0.28 -2.68 -4.63 1.29 -0.04 -1.26 -4.95 135.00 123.01 1x5f n PRO 18 Ca -0.13 -1.35 -0.28 0.00 -0.04 0.00 0.00 63.50 61.70 1x5f n PRO 18 Cb 0.55 -1.27 -0.17 0.00 -0.04 0.00 0.00 33.50 32.58 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 -3.78 2.32 0.45 3.54 0.15 -1.26 -3.47 113.70 111.65 1x5f s SER 19 Ca 0.55 -0.40 -0.13 0.00 0.70 0.00 0.00 55.95 56.66 1x5f s SER 19 Cb -0.05 -1.05 -0.11 0.00 -1.71 0.00 0.00 66.02 63.09 1x5f s SER 19 CO 0.42 0.05 -0.20 0.00 1.20 0.00 0.00 173.24 174.71 1x5f n ALA 20 N 3.95 -3.10 -1.14 5.45 0.00 -0.48 -4.47 120.51 120.72 1x5f n ALA 20 Ca -0.20 -0.13 -0.29 0.00 0.00 0.00 0.00 53.44 52.82 1x5f n ALA 20 Cb 0.52 -1.00 0.19 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.90 -0.04 0.46 0.00 0.04 -1.26 -4.55 135.00 128.75 1x5f s PRO 21 Ca 0.40 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1x5f s PRO 21 Cb -0.32 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1x5f s PRO 21 CO 0.52 -3.01 0.01 0.54 0.04 0.00 0.00 177.00 175.10 1x5f n ARG 22 N -4.34 0.90 -4.04 4.56 1.74 -1.25 -4.76 116.66 109.46 1x5f n ARG 22 Ca 0.07 -3.30 -0.31 0.00 -0.77 0.00 0.00 57.85 53.53 1x5f n ARG 22 Cb 0.58 0.86 -0.00 0.00 -1.02 0.00 0.00 32.46 32.88 1x5f n ARG 22 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1x5f n ASP 23 N -1.30 -3.16 -4.58 0.55 8.00 -1.26 -1.41 116.55 113.38 1x5f n ASP 23 Ca -0.18 -0.92 -0.42 0.00 0.71 0.00 0.00 54.79 53.98 1x5f n ASP 23 Cb 0.57 -3.27 -0.03 0.00 -0.02 0.00 0.00 41.12 38.38 1x5f n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1x5f s VAL 24 N -3.43 3.74 0.30 2.53 1.01 -1.26 -4.14 120.40 119.14 1x5f s VAL 24 Ca 0.54 0.68 0.03 0.00 0.00 0.00 0.00 61.98 63.24 1x5f s VAL 24 Cb -0.29 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1x5f s VAL 24 CO 0.88 -0.90 0.16 0.68 0.00 0.00 0.00 175.10 175.92 1x5f s VAL 25 N 6.27 0.31 -0.41 2.92 -7.23 0.56 -5.00 120.40 117.82 1x5f s VAL 25 Ca 0.61 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.72 1x5f s VAL 25 Cb -0.13 -2.51 0.10 0.00 0.56 0.00 0.00 36.38 34.39 1x5f s VAL 25 CO 0.28 0.00 0.23 0.00 -0.31 0.00 0.00 175.10 175.31 1x5f s ALA 26 N -3.63 3.22 0.62 1.32 0.00 -1.26 0.48 121.76 122.51 1x5f s ALA 26 Ca 0.36 -2.34 0.29 0.00 0.00 0.00 0.00 51.96 50.27 1x5f s ALA 26 Cb 0.05 -2.53 1.52 0.00 0.00 0.00 0.00 23.12 22.16 1x5f s ALA 26 CO 0.17 -1.72 1.90 1.03 0.00 0.00 0.00 175.76 177.14 1x5f h SER 27 N 8.25 0.00 -4.28 0.00 0.87 -0.93 -3.43 113.55 114.03 1x5f h SER 27 Ca -0.19 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.49 1x5f h SER 27 Cb 1.07 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.82 1x5f h SER 27 CO 0.74 0.00 0.57 -0.22 -0.53 0.00 0.00 176.83 177.39 1x5f s LEU 28 N -6.69 -0.33 -0.31 2.23 0.20 -1.04 -4.96 118.68 107.77 1x5f s LEU 28 Ca -0.04 0.21 0.02 0.00 0.69 0.00 0.00 54.13 55.01 1x5f s LEU 28 Cb 0.12 1.84 0.09 0.00 -0.43 0.00 0.00 46.19 47.82 1x5f s LEU 28 CO 0.42 -0.41 0.06 -0.69 -0.29 0.00 0.00 176.35 175.44 1x5f s VAL 29 N -1.92 1.62 0.58 1.68 1.01 -1.26 0.10 120.40 122.21 1x5f s VAL 29 Ca 0.02 -1.82 -0.06 0.00 0.00 0.00 0.00 61.98 60.12 1x5f s VAL 29 Cb -0.01 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1x5f s VAL 29 CO -0.03 -0.57 0.89 -0.55 0.00 0.00 0.00 175.10 174.84 1x5f s SER 30 N 1.25 5.68 0.28 3.32 0.15 0.21 -4.60 113.70 120.00 1x5f s SER 30 Ca 0.08 0.75 0.13 0.00 0.70 0.00 0.00 55.95 57.61 1x5f s SER 30 Cb -0.18 -1.78 0.31 0.00 -1.71 0.00 0.00 66.02 62.66 1x5f s SER 30 CO -0.15 -1.00 1.56 0.71 1.20 0.00 0.00 173.24 175.56 1x5f h THR 31 N -0.13 1.23 -0.01 6.45 1.35 -1.96 -3.23 112.91 116.61 1x5f h THR 31 Ca -0.46 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.21 1x5f h THR 31 Cb 1.25 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 1x5f h THR 31 CO 0.61 0.58 -0.04 0.54 -0.25 0.00 0.00 175.52 176.96 1x5f n ARG 32 N -3.54 0.61 -3.76 4.72 1.74 -1.26 -1.86 116.66 113.30 1x5f n ARG 32 Ca -0.00 -0.87 -0.08 0.00 -0.77 0.00 0.00 57.85 56.13 1x5f n ARG 32 Cb 0.66 -1.12 0.03 0.00 -1.02 0.00 0.00 32.46 31.01 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 0.27 -2.18 -3.69 -1.55 1.16 -1.22 -1.37 117.46 108.88 1x5f n PHE 33 Ca 0.04 -1.74 -0.11 0.00 -1.87 0.00 0.00 57.45 53.78 1x5f n PHE 33 Cb 0.19 0.86 -0.11 0.00 -1.61 0.00 0.00 39.48 38.81 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 -0.16 -0.18 1.97 1.01 -0.94 0.67 121.20 121.48 1x5f s ILE 34 Ca 0.17 0.14 -0.26 0.00 0.00 0.00 0.00 60.65 60.70 1x5f s ILE 34 Cb -0.05 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 1x5f s ILE 34 CO 0.11 0.06 0.86 -0.75 0.00 0.00 0.00 174.94 175.21 1x5f s LYS 35 N 1.64 4.29 0.18 2.79 2.47 0.29 -1.99 119.74 129.42 1x5f s LYS 35 Ca -0.07 1.06 0.06 0.00 -1.56 0.00 0.00 55.97 55.46 1x5f s LYS 35 Cb -0.10 -3.58 -0.04 0.00 -1.46 0.00 0.00 37.83 32.65 1x5f s LYS 35 CO -0.11 -0.37 0.14 -0.51 0.16 0.00 0.00 175.35 174.65 1x5f s LEU 36 N 2.29 3.76 -0.24 5.43 2.01 -0.39 -0.36 118.68 131.18 1x5f s LEU 36 Ca 0.39 -0.18 -0.13 0.00 0.01 0.00 0.00 54.13 54.21 1x5f s LEU 36 Cb -0.16 -2.35 0.07 0.00 0.01 0.00 0.00 46.19 43.76 1x5f s LEU 36 CO 0.12 0.05 0.58 0.42 1.01 0.00 0.00 176.35 178.53 1x5f s THR 37 N -1.84 -0.01 0.10 5.49 -4.23 0.18 -2.67 115.64 112.66 1x5f s THR 37 Ca 0.31 0.04 -0.08 0.00 -1.18 0.00 0.00 61.69 60.78 1x5f s THR 37 Cb -0.09 -0.85 -0.01 0.00 1.34 0.00 0.00 72.50 72.89 1x5f s THR 37 CO 0.23 0.01 0.19 -1.66 -0.54 0.00 0.00 174.62 172.85 1x5f s TRP 38 N 1.54 0.26 0.66 3.99 -2.14 -0.76 -0.32 118.94 122.16 1x5f s TRP 38 Ca -0.10 -0.68 0.02 0.00 2.66 0.00 0.00 56.10 58.00 1x5f s TRP 38 Cb -0.06 -0.10 0.13 0.00 -3.10 0.00 0.00 33.47 30.33 1x5f s TRP 38 CO -0.17 -0.57 0.90 0.54 -2.66 0.00 0.00 176.95 175.00 1x5f n ARG 39 N -0.08 0.11 -2.37 3.25 3.00 -0.50 -4.65 116.66 115.42 1x5f n ARG 39 Ca -0.13 -2.70 -0.38 0.00 -0.01 0.00 0.00 57.85 54.63 1x5f n ARG 39 Cb 0.62 -0.53 -0.03 0.00 0.00 0.00 0.00 32.46 32.53 1x5f n ARG 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1x5f s THR 40 N -2.80 3.31 0.49 0.55 -4.23 -1.26 -3.77 115.64 107.92 1x5f s THR 40 Ca 0.62 1.10 -0.22 0.00 -1.18 0.00 0.00 61.69 62.02 1x5f s THR 40 Cb -0.04 -3.62 -0.07 0.00 1.34 0.00 0.00 72.50 70.11 1x5f s THR 40 CO 0.41 0.10 1.15 -2.16 -0.54 0.00 0.00 174.62 173.58 1x5f s PRO 41 N -2.23 3.62 0.35 3.99 0.04 -1.09 -4.35 135.00 135.34 1x5f s PRO 41 Ca 0.56 1.71 0.12 0.00 0.04 0.00 0.00 61.00 63.43 1x5f s PRO 41 Cb -0.29 -2.27 0.93 0.00 0.04 0.00 0.00 34.50 32.91 1x5f s PRO 41 CO 0.37 -0.65 1.79 0.00 0.04 0.00 0.00 177.00 178.54 1x5f h ALA 42 N 1.76 1.95 -0.29 8.56 0.00 -1.80 -0.15 119.26 129.29 1x5f h ALA 42 Ca -0.50 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1x5f h ALA 42 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1x5f h ALA 42 CO 0.59 -0.33 -0.08 0.66 0.00 0.00 0.00 179.25 180.09 1x5f h SER 43 N 0.57 0.58 -3.74 0.00 4.64 -1.91 -3.39 113.55 110.29 1x5f h SER 43 Ca 0.57 -0.37 -0.65 0.00 -0.47 0.00 0.00 61.79 60.87 1x5f h SER 43 Cb 1.16 -0.16 -0.40 0.00 -0.31 0.00 0.00 62.40 62.69 1x5f h SER 43 CO -0.33 0.82 -0.71 -1.81 -0.87 0.00 0.00 176.83 173.93 1x5f s ASP 44 N -6.18 4.59 0.00 4.97 1.11 -0.08 -4.95 116.67 116.12 1x5f s ASP 44 Ca -0.13 -2.26 0.14 0.00 0.18 0.00 0.00 52.55 50.48 1x5f s ASP 44 Cb 0.08 -1.54 0.65 0.00 1.07 0.00 0.00 42.92 43.18 1x5f s ASP 44 CO 0.78 -0.36 1.44 -0.81 1.18 0.00 0.00 175.17 177.40 1x5f n PRO 45 N 4.10 0.07 -0.01 8.23 -0.04 -1.15 -2.67 135.00 143.53 1x5f n PRO 45 Ca 0.04 0.22 -0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1x5f n PRO 45 Cb 0.40 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.43 0.00 -2.75 0.54 8.25 -1.26 -4.80 115.22 113.76 1x5f n HIS 46 Ca 0.05 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.35 1x5f n HIS 46 Cb 0.15 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 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 2.60 -0.30 0.03 -1.41 0.00 -1.13 -4.67 105.19 100.30 1x5f n GLY 47 Ca -0.04 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1x5f n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x5f n ASP 48 N -1.21 0.61 -0.68 1.61 2.03 -1.26 -3.77 116.55 113.89 1x5f n ASP 48 Ca 0.04 -0.15 0.09 0.00 0.52 0.00 0.00 54.79 55.28 1x5f n ASP 48 Cb 0.32 0.42 0.22 0.00 -0.72 0.00 0.00 41.12 41.36 1x5f n ASP 48 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1x5f n ASN 49 N -1.83 3.46 -3.75 1.67 2.04 -1.26 -4.69 115.26 110.90 1x5f n ASN 49 Ca 0.04 -2.96 -0.13 0.00 -0.44 0.00 0.00 54.58 51.09 1x5f n ASN 49 Cb 0.40 -0.49 -0.13 0.00 -2.53 0.00 0.00 39.78 37.03 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 -2.70 0.71 0.92 -4.53 0.05 -1.25 -4.35 118.68 107.53 1x5f s LEU 50 Ca 0.38 0.48 -0.14 0.00 0.05 0.00 0.00 54.13 54.89 1x5f s LEU 50 Cb 0.31 0.72 0.16 0.00 -2.05 0.00 0.00 46.19 45.33 1x5f s LEU 50 CO 0.08 -0.13 1.25 -0.89 -0.55 0.00 0.00 176.35 176.11 1x5f s THR 51 N 0.82 1.98 -0.07 5.48 2.01 0.35 -3.29 115.64 122.92 1x5f s THR 51 Ca -0.06 0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.95 1x5f s THR 51 Cb -0.07 -2.96 0.02 0.00 0.01 0.00 0.00 72.50 69.50 1x5f s THR 51 CO -0.05 0.00 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.49 1x5f s TYR 52 N -3.69 1.22 -0.13 4.92 2.02 -1.26 0.31 117.35 120.73 1x5f s TYR 52 Ca 0.69 -0.47 -0.04 0.00 -0.37 0.00 0.00 57.07 56.87 1x5f s TYR 52 Cb -0.07 -0.98 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 1x5f s TYR 52 CO 0.52 -0.32 0.02 -1.12 -1.57 0.00 0.00 175.55 173.09 1x5f s SER 53 N 1.09 5.37 -0.27 2.29 0.01 0.12 -2.77 113.70 119.54 1x5f s SER 53 Ca -0.07 0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.27 1x5f s SER 53 Cb -0.14 -1.75 0.04 0.00 0.21 0.00 0.00 66.02 64.38 1x5f s SER 53 CO -0.01 0.27 -0.04 -0.69 0.41 0.00 0.00 173.24 173.18 1x5f s VAL 54 N -0.23 2.89 -0.28 3.43 1.01 -1.15 0.03 120.40 126.10 1x5f s VAL 54 Ca 0.06 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.75 1x5f s VAL 54 Cb -0.12 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1x5f s VAL 54 CO 0.02 0.08 0.22 -0.36 0.00 0.00 0.00 175.10 175.05 1x5f s PHE 55 N 1.29 3.22 0.06 5.22 0.40 0.74 -1.11 117.98 127.81 1x5f s PHE 55 Ca -0.02 0.12 0.09 0.00 -0.60 0.00 0.00 56.93 56.52 1x5f s PHE 55 Cb -0.18 -2.41 -0.03 0.00 0.51 0.00 0.00 43.02 40.91 1x5f s PHE 55 CO -0.03 -0.19 -0.23 1.52 0.70 0.00 0.00 175.22 176.99 1x5f s TYR 56 N 1.79 2.41 -0.21 0.36 -0.85 -0.79 -0.22 117.35 119.85 1x5f s TYR 56 Ca 0.08 -0.35 -0.27 0.00 -0.52 0.00 0.00 57.07 56.01 1x5f s TYR 56 Cb -0.16 -1.40 0.09 0.00 0.38 0.00 0.00 41.96 40.87 1x5f s TYR 56 CO 0.11 0.21 0.81 -0.08 -1.52 0.00 0.00 175.55 175.08 1x5f s THR 57 N -0.90 0.00 0.30 -3.49 -1.32 -1.06 -1.70 115.64 107.46 1x5f s THR 57 Ca 0.13 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.32 1x5f s THR 57 Cb -0.10 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.79 1x5f s THR 57 CO 0.04 0.00 1.28 -0.75 -2.21 0.00 0.00 174.62 172.98 1x5f s LYS 58 N -0.18 4.40 0.37 7.08 2.20 -1.26 -0.24 119.74 132.11 1x5f s LYS 58 Ca -0.02 2.13 0.18 0.00 -0.36 0.00 0.00 55.97 57.90 1x5f s LYS 58 Cb -0.03 -3.11 1.14 0.00 -1.51 0.00 0.00 37.83 34.32 1x5f s LYS 58 CO 0.02 -0.14 1.68 1.49 -0.36 0.00 0.00 175.35 178.03 1x5f h GLU 59 N 3.84 0.30 0.00 4.03 4.22 -1.93 0.57 114.58 125.61 1x5f h GLU 59 Ca -0.48 -0.02 -0.19 0.00 0.08 0.00 0.00 59.36 58.75 1x5f h GLU 59 Cb 1.22 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1x5f h GLU 59 CO 0.68 0.20 -1.02 0.78 -2.18 0.00 0.00 179.01 177.47 1x5f h GLY 60 N 0.31 0.00 -4.86 1.92 0.00 -1.90 -3.45 103.07 95.10 1x5f h GLY 60 Ca 0.72 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 47.50 1x5f h GLY 60 CO -0.51 0.00 0.18 -0.42 0.00 0.00 0.00 176.54 175.79 1x5f s ILE 61 N -2.78 4.99 -0.29 2.60 -1.09 0.20 -4.95 121.20 119.89 1x5f s ILE 61 Ca 0.01 1.63 0.20 0.00 -2.23 0.00 0.00 60.65 60.25 1x5f s ILE 61 Cb 0.09 -4.12 0.15 0.00 -1.58 0.00 0.00 42.46 37.00 1x5f s ILE 61 CO 0.80 0.22 1.38 0.00 -1.23 0.00 0.00 174.94 176.12 1x5f h ALA 62 N 6.79 0.78 -2.24 9.38 0.00 -1.87 -3.36 119.26 128.73 1x5f h ALA 62 Ca -0.41 -0.21 -0.48 0.00 0.00 0.00 0.00 54.91 53.82 1x5f h ALA 62 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1x5f h ALA 62 CO 0.75 0.26 0.20 1.03 0.00 0.00 0.00 179.25 181.49 1x5f s ARG 63 N -3.14 3.97 0.08 0.00 1.81 -1.26 -5.06 118.95 115.35 1x5f s ARG 63 Ca 0.04 0.75 -0.04 0.00 -1.72 0.00 0.00 55.73 54.75 1x5f s ARG 63 Cb 0.07 -2.32 -0.03 0.00 -0.45 0.00 0.00 34.95 32.22 1x5f s ARG 63 CO 0.73 -0.01 0.08 -1.83 -0.68 0.00 0.00 175.30 173.58 1x5f s GLU 64 N -3.47 0.78 -0.03 3.54 -1.05 -1.26 -4.46 118.70 112.76 1x5f s GLU 64 Ca 0.56 -1.17 0.05 0.00 -0.15 0.00 0.00 54.97 54.26 1x5f s GLU 64 Cb -0.10 0.27 -0.01 0.00 -0.44 0.00 0.00 34.13 33.85 1x5f s GLU 64 CO 0.23 -0.21 -0.18 1.03 0.95 0.00 0.00 175.26 177.08 1x5f s ARG 65 N -3.92 1.66 -0.02 -4.83 1.81 -0.69 -4.92 118.95 108.03 1x5f s ARG 65 Ca 0.10 -0.65 -0.12 0.00 -1.72 0.00 0.00 55.73 53.34 1x5f s ARG 65 Cb 0.07 -1.52 -0.05 0.00 -0.45 0.00 0.00 34.95 33.00 1x5f s ARG 65 CO -0.08 0.33 0.33 0.54 -0.68 0.00 0.00 175.30 175.74 1x5f s VAL 66 N -0.23 5.18 -0.28 3.52 0.11 -1.26 -1.88 120.40 125.56 1x5f s VAL 66 Ca 0.02 0.58 0.01 0.00 -2.93 0.00 0.00 61.98 59.66 1x5f s VAL 66 Cb -0.09 -3.61 0.08 0.00 -1.53 0.00 0.00 36.38 31.23 1x5f s VAL 66 CO 0.01 0.55 0.02 -0.70 -3.33 0.00 0.00 175.10 171.64 1x5f s GLU 67 N -1.20 1.28 0.01 1.54 2.56 -0.26 -4.91 118.70 117.72 1x5f s GLU 67 Ca 0.23 -1.23 -0.30 0.00 0.00 0.00 0.00 54.97 53.66 1x5f s GLU 67 Cb -0.15 -2.56 -0.06 0.00 2.00 0.00 0.00 34.13 33.37 1x5f s GLU 67 CO 0.12 -0.81 1.36 -0.80 -0.56 0.00 0.00 175.26 174.57 1x5f s ASN 68 N 1.35 6.89 0.15 -1.70 0.01 -1.26 -2.93 114.94 117.45 1x5f s ASN 68 Ca 0.03 2.10 -0.34 0.00 -0.71 0.00 0.00 52.86 53.94 1x5f s ASN 68 Cb -0.18 -2.57 -0.15 0.00 0.41 0.00 0.00 41.25 38.76 1x5f s ASN 68 CO -0.12 -0.67 1.40 0.35 -1.51 0.00 0.00 177.10 176.54 1x5f n THR 69 N 4.50 0.34 -0.61 1.60 -2.24 -1.11 -4.77 114.28 111.98 1x5f n THR 69 Ca 0.12 -0.08 0.48 0.00 -2.27 0.00 0.00 64.05 62.30 1x5f n THR 69 Cb 0.44 -1.17 0.79 0.00 -2.10 0.00 0.00 70.33 68.29 1x5f n THR 69 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1x5f h SER 70 N 4.71 0.04 -4.40 3.42 4.64 -1.92 -3.38 113.55 116.66 1x5f h SER 70 Ca -0.45 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 60.70 1x5f h SER 70 Cb 1.30 0.02 -0.24 0.00 -0.31 0.00 0.00 62.40 63.17 1x5f h SER 70 CO 0.79 -0.03 -0.66 -1.00 -0.87 0.00 0.00 176.83 175.07 1x5f s HIS 71 N -4.94 0.09 0.21 4.77 3.76 -1.26 -5.14 115.29 112.77 1x5f s HIS 71 Ca -0.05 -0.17 -0.30 0.00 -0.15 0.00 0.00 55.06 54.38 1x5f s HIS 71 Cb 0.27 -0.07 -0.09 0.00 1.11 0.00 0.00 32.58 33.80 1x5f s HIS 71 CO 0.87 -0.12 1.30 -1.25 -0.85 0.00 0.00 174.74 174.69 1x5f s PRO 72 N -0.75 4.40 0.00 8.40 0.04 -1.26 -3.07 135.00 142.75 1x5f s PRO 72 Ca -0.08 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1x5f s PRO 72 Cb -0.05 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1x5f s PRO 72 CO -0.00 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1x5f n GLY 73 N 2.23 2.98 3.70 0.56 0.00 -1.21 -4.94 105.19 108.52 1x5f n GLY 73 Ca 0.05 -0.06 -0.64 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.28 -0.39 1.61 4.07 -1.18 -4.79 120.64 120.25 1x5f n GLU 74 Ca 0.00 0.10 -0.03 0.00 -0.06 0.00 0.00 57.16 57.17 1x5f n GLU 74 Cb 0.00 -1.65 0.11 0.00 -0.06 0.00 0.00 31.44 29.84 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 3.91 1.96 -3.60 5.31 2.81 -1.26 -4.82 117.12 121.42 1x5f n MET 75 Ca 0.28 -1.14 -0.09 0.00 -1.81 0.00 0.00 57.70 54.94 1x5f n MET 75 Cb 0.01 -1.61 -0.05 0.00 -0.71 0.00 0.00 33.22 30.85 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 -1.43 0.49 0.03 0.03 -2.07 -1.26 -1.83 119.66 113.61 1x5f s GLN 76 Ca 0.21 0.21 -0.17 0.00 -1.82 0.00 0.00 55.36 53.79 1x5f s GLN 76 Cb 0.17 0.23 0.03 0.00 -1.09 0.00 0.00 33.01 32.35 1x5f s GLN 76 CO 0.05 -0.13 0.38 0.54 -1.32 0.00 0.00 175.29 174.81 1x5f s VAL 77 N -0.79 0.06 -0.18 3.63 0.11 -1.09 -4.95 120.40 117.19 1x5f s VAL 77 Ca 0.01 -0.50 -0.07 0.00 -2.93 0.00 0.00 61.98 58.50 1x5f s VAL 77 Cb -0.02 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 1x5f s VAL 77 CO -0.02 -0.27 0.04 -0.89 -3.33 0.00 0.00 175.10 170.63 1x5f s THR 78 N -2.29 4.58 -0.65 5.04 2.01 -1.26 -1.26 115.64 121.81 1x5f s THR 78 Ca -0.07 -0.11 -0.10 0.00 0.31 0.00 0.00 61.69 61.73 1x5f s THR 78 Cb -0.01 -3.06 0.17 0.00 0.01 0.00 0.00 72.50 69.61 1x5f s THR 78 CO -0.01 0.47 0.54 -0.63 -0.69 0.00 0.00 174.62 174.29 1x5f s ILE 79 N 0.39 4.68 0.56 1.82 -1.09 -0.84 -4.96 121.20 121.76 1x5f s ILE 79 Ca 0.01 -2.34 -0.06 0.00 -2.23 0.00 0.00 60.65 56.03 1x5f s ILE 79 Cb -0.13 -3.98 0.12 0.00 -1.58 0.00 0.00 42.46 36.89 1x5f s ILE 79 CO 0.01 -0.91 0.76 0.00 -1.23 0.00 0.00 174.94 173.57 1x5f n GLN 80 N 4.20 -0.41 -3.25 2.79 6.02 -1.26 -2.20 117.38 123.27 1x5f n GLN 80 Ca 0.04 -1.51 -0.15 0.00 -0.01 0.00 0.00 57.00 55.37 1x5f n GLN 80 Cb 0.42 -0.68 0.08 0.00 1.02 0.00 0.00 30.24 31.08 1x5f n GLN 80 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x5f n ASN 81 N -3.29 -2.15 -4.46 1.08 3.02 -1.05 -4.90 115.26 103.52 1x5f n ASN 81 Ca 0.11 -0.55 -0.22 0.00 -0.03 0.00 0.00 54.58 53.89 1x5f n ASN 81 Cb 0.37 -4.56 -0.10 0.00 -0.61 0.00 0.00 39.78 34.88 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 -5.80 2.54 -0.12 3.41 1.43 -0.47 -5.03 118.68 114.64 1x5f s LEU 82 Ca 0.01 -1.19 -0.06 0.00 -1.03 0.00 0.00 54.13 51.86 1x5f s LEU 82 Cb -0.00 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 1x5f s LEU 82 CO 0.64 -0.31 0.08 -0.32 0.23 0.00 0.00 176.35 176.67 1x5f s MET 83 N -3.70 3.42 0.73 1.70 -2.45 -1.26 -4.45 119.30 113.29 1x5f s MET 83 Ca 0.30 -0.26 -0.12 0.00 -1.25 0.00 0.00 55.69 54.36 1x5f s MET 83 Cb 0.03 -3.08 0.03 0.00 1.25 0.00 0.00 34.83 33.07 1x5f s MET 83 CO 0.13 0.64 1.10 -1.25 1.05 0.00 0.00 175.02 176.69 1x5f s PRO 84 N -0.66 2.48 -1.58 4.11 0.04 -0.78 -3.65 135.00 134.96 1x5f s PRO 84 Ca 0.12 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 1x5f s PRO 84 Cb -0.12 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.60 1x5f s PRO 84 CO 0.02 -1.49 0.69 0.00 0.04 0.00 0.00 177.00 176.26 1x5f n ALA 85 N -3.07 -1.53 -3.71 8.56 0.00 -1.15 -4.86 120.51 114.77 1x5f n ALA 85 Ca 0.10 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 1x5f n ALA 85 Cb 0.53 -2.93 -0.17 0.00 0.00 0.00 0.00 19.45 16.87 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 -3.53 -0.09 0.31 0.00 2.01 -1.24 -4.91 115.64 108.20 1x5f s THR 86 Ca 0.47 0.35 -0.29 0.00 0.31 0.00 0.00 61.69 62.53 1x5f s THR 86 Cb -0.25 -0.13 -0.10 0.00 0.01 0.00 0.00 72.50 72.03 1x5f s THR 86 CO 0.90 0.15 1.28 -0.69 -0.69 0.00 0.00 174.62 175.57 1x5f s VAL 87 N 1.76 2.87 0.01 3.82 1.01 -1.26 -3.28 120.40 125.33 1x5f s VAL 87 Ca -0.00 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1x5f s VAL 87 Cb -0.12 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1x5f s VAL 87 CO -0.03 0.19 -0.02 -0.31 0.00 0.00 0.00 175.10 174.93 1x5f s TYR 88 N -0.99 0.17 -0.50 5.22 2.02 0.11 -3.62 117.35 119.76 1x5f s TYR 88 Ca 0.49 -0.16 -0.15 0.00 -0.37 0.00 0.00 57.07 56.88 1x5f s TYR 88 Cb -0.38 -0.12 0.10 0.00 -0.40 0.00 0.00 41.96 41.16 1x5f s TYR 88 CO 0.50 -0.05 0.44 0.42 -1.57 0.00 0.00 175.55 175.29 1x5f s ILE 89 N -0.42 5.11 0.07 2.71 -1.09 0.66 -1.14 121.20 127.11 1x5f s ILE 89 Ca -0.04 -1.34 -0.17 0.00 -2.23 0.00 0.00 60.65 56.87 1x5f s ILE 89 Cb -0.03 -4.19 -0.06 0.00 -1.58 0.00 0.00 42.46 36.60 1x5f s ILE 89 CO -0.00 -0.73 0.52 -0.36 -1.23 0.00 0.00 174.94 173.14 1x5f s PHE 90 N 1.59 3.75 -0.11 3.97 0.40 -0.24 -2.58 117.98 124.77 1x5f s PHE 90 Ca 0.04 1.16 -0.03 0.00 -0.60 0.00 0.00 56.93 57.50 1x5f s PHE 90 Cb -0.27 -2.42 0.04 0.00 0.51 0.00 0.00 43.02 40.88 1x5f s PHE 90 CO 0.04 0.58 0.05 1.03 0.70 0.00 0.00 175.22 177.61 1x5f s ARG 91 N -1.25 0.28 -0.14 0.44 0.52 0.70 -0.47 118.95 119.02 1x5f s ARG 91 Ca 0.29 0.05 -0.15 0.00 -0.52 0.00 0.00 55.73 55.40 1x5f s ARG 91 Cb -0.18 -1.25 -0.05 0.00 0.52 0.00 0.00 34.95 34.00 1x5f s ARG 91 CO 0.18 -0.46 0.34 0.08 0.02 0.00 0.00 175.30 175.45 1x5f s VAL 92 N 2.05 5.27 0.08 3.52 1.01 -1.26 -0.18 120.40 130.88 1x5f s VAL 92 Ca 0.03 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1x5f s VAL 92 Cb -0.14 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1x5f s VAL 92 CO -0.06 0.39 -0.10 -0.32 0.00 0.00 0.00 175.10 175.01 1x5f s MET 93 N 0.37 0.74 0.13 2.72 0.00 0.10 0.07 119.30 123.44 1x5f s MET 93 Ca 0.19 -1.01 0.01 0.00 0.00 0.00 0.00 55.69 54.88 1x5f s MET 93 Cb -0.14 -0.49 -0.04 0.00 0.00 0.00 0.00 34.83 34.17 1x5f s MET 93 CO 0.06 0.08 0.28 0.00 0.00 0.00 0.00 175.02 175.44 1x5f s ALA 94 N -1.99 3.96 -0.09 4.11 0.00 -1.26 0.15 121.76 126.65 1x5f s ALA 94 Ca -0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 1x5f s ALA 94 Cb -0.06 -1.82 0.04 0.00 0.00 0.00 0.00 23.12 21.28 1x5f s ALA 94 CO 0.00 0.61 0.21 -0.65 0.00 0.00 0.00 175.76 175.93 1x5f s GLN 95 N -3.03 0.16 0.21 0.00 -0.21 0.15 -3.19 119.66 113.74 1x5f s GLN 95 Ca 0.35 0.47 0.01 0.00 0.02 0.00 0.00 55.36 56.21 1x5f s GLN 95 Cb -0.12 -0.15 -0.00 0.00 1.00 0.00 0.00 33.01 33.74 1x5f s GLN 95 CO 0.28 -0.17 0.03 0.27 -2.12 0.00 0.00 175.29 173.59 1x5f n ASN 96 N 4.24 1.82 0.17 5.90 0.23 -1.06 0.13 115.26 126.69 1x5f n ASN 96 Ca -0.26 -1.99 0.13 0.00 -0.53 0.00 0.00 54.58 51.93 1x5f n ASN 96 Cb 0.52 0.32 0.37 0.00 -2.08 0.00 0.00 39.78 38.91 1x5f n ASN 96 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1x5f h LYS 97 N 0.00 0.00 0.00 -3.83 2.10 -2.02 -1.82 116.57 111.01 1x5f h LYS 97 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 1x5f h LYS 97 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1x5f h LYS 97 CO 0.27 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.44 1x5f n HIS 98 N -2.91 0.00 0.00 0.07 8.25 -1.26 -5.03 115.22 114.34 1x5f n HIS 98 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1x5f n HIS 98 Cb 0.95 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 2.01 -0.78 3.53 -1.41 0.00 -0.68 -4.60 105.19 103.26 1x5f n GLY 99 Ca 0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1x5f n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5f s SER 100 N -4.00 6.26 0.00 1.61 0.01 -1.26 -2.57 113.70 113.75 1x5f s SER 100 Ca 0.00 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1x5f s SER 100 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1x5f s SER 100 CO 0.00 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.75 1x5f n GLY 101 N 4.93 1.50 3.25 3.44 0.00 -1.19 -4.98 105.19 112.14 1x5f n GLY 101 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 2.35 -0.04 1.61 2.12 -1.23 -4.97 118.70 118.54 1x5f s GLU 102 Ca 0.00 -0.86 -0.24 0.00 0.36 0.00 0.00 54.97 54.23 1x5f s GLU 102 Cb 0.00 -2.04 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 1x5f s GLU 102 CO 0.00 0.39 0.73 -1.12 -0.54 0.00 0.00 175.26 174.72 1x5f s SER 103 N -0.21 7.06 1.20 -1.70 0.01 -1.26 -1.38 113.70 117.41 1x5f s SER 103 Ca -0.01 1.27 -0.18 0.00 1.31 0.00 0.00 55.95 58.34 1x5f s SER 103 Cb -0.13 -2.43 0.25 0.00 0.21 0.00 0.00 66.02 63.92 1x5f s SER 103 CO 0.03 -0.09 0.53 -1.54 0.41 0.00 0.00 173.24 172.58 1x5f n SER 104 N 3.57 -3.22 -4.77 2.44 3.41 0.11 -4.86 113.62 110.29 1x5f n SER 104 Ca -0.01 -0.50 -0.36 0.00 -0.26 0.00 0.00 58.87 57.74 1x5f n SER 104 Cb 0.51 -0.92 -0.01 0.00 -0.26 0.00 0.00 64.21 63.54 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 -2.14 2.84 -0.37 7.33 0.00 -1.26 -4.64 121.76 123.52 1x5f s ALA 105 Ca 0.52 0.87 -0.28 0.00 0.00 0.00 0.00 51.96 53.07 1x5f s ALA 105 Cb -0.11 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1x5f s ALA 105 CO 0.49 -0.69 1.71 -1.25 0.00 0.00 0.00 175.76 176.01 1x5f s PRO 106 N -2.99 3.34 -0.17 0.00 0.04 -1.26 -4.66 135.00 129.31 1x5f s PRO 106 Ca 0.68 1.25 -0.22 0.00 0.04 0.00 0.00 61.00 62.75 1x5f s PRO 106 Cb -0.26 -4.17 -0.02 0.00 0.04 0.00 0.00 34.50 30.09 1x5f s PRO 106 CO 0.30 -1.85 0.69 -1.17 0.04 0.00 0.00 177.00 175.02 1x5f s LEU 107 N 6.69 4.18 -0.47 -3.56 2.96 0.38 -4.87 118.68 123.99 1x5f s LEU 107 Ca 0.74 0.98 -0.23 0.00 -0.22 0.00 0.00 54.13 55.40 1x5f s LEU 107 Cb -0.20 -3.01 0.03 0.00 0.50 0.00 0.00 46.19 43.52 1x5f s LEU 107 CO 0.32 -0.28 0.80 -0.60 -1.32 0.00 0.00 176.35 175.27 1x5f s ARG 108 N 1.78 3.36 -0.05 1.98 3.52 -1.26 -1.08 118.95 127.21 1x5f s ARG 108 Ca 0.32 -0.21 0.06 0.00 -0.13 0.00 0.00 55.73 55.78 1x5f s ARG 108 Cb -0.16 -3.97 -0.02 0.00 -1.56 0.00 0.00 34.95 29.24 1x5f s ARG 108 CO 0.12 -1.19 -0.23 0.08 -0.81 0.00 0.00 175.30 173.27 1x5f s VAL 109 N 3.34 2.30 -0.20 7.11 1.01 -0.29 -4.95 120.40 128.72 1x5f s VAL 109 Ca 0.29 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1x5f s VAL 109 Cb -0.13 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.43 1x5f s VAL 109 CO 0.21 0.58 -0.15 -0.70 0.00 0.00 0.00 175.10 175.04 1x5f s GLU 110 N -0.42 2.96 1.40 2.72 2.12 -1.26 0.09 118.70 126.31 1x5f s GLU 110 Ca 0.04 -0.86 -0.23 0.00 0.36 0.00 0.00 54.97 54.28 1x5f s GLU 110 Cb -0.12 -2.72 0.36 0.00 0.26 0.00 0.00 34.13 31.91 1x5f s GLU 110 CO 0.01 -0.27 0.97 0.95 -0.54 0.00 0.00 175.26 176.38 1x5f s THR 111 N 1.31 1.22 -0.02 -1.70 -4.23 -1.20 -4.90 115.64 106.11 1x5f s THR 111 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1x5f s THR 111 Cb -0.14 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 1x5f s THR 111 CO -0.10 0.00 0.02 -1.10 -0.54 0.00 0.00 174.62 172.91 1x5f s GLN 112 N -5.22 2.91 -0.62 3.99 -1.52 -1.26 -3.62 119.66 114.33 1x5f s GLN 112 Ca 0.69 -0.52 -0.26 0.00 -1.95 0.00 0.00 55.36 53.32 1x5f s GLN 112 Cb -0.11 -2.76 -0.02 0.00 -0.22 0.00 0.00 33.01 29.90 1x5f s GLN 112 CO 0.57 0.65 1.86 -1.25 -0.25 0.00 0.00 175.29 176.87 1x5f s PRO 113 N -1.44 2.62 -0.20 2.91 0.04 -1.26 -2.93 135.00 134.75 1x5f s PRO 113 Ca 0.19 0.60 -0.00 0.00 0.04 0.00 0.00 61.00 61.82 1x5f s PRO 113 Cb -0.12 -4.40 0.14 0.00 0.04 0.00 0.00 34.50 30.17 1x5f s PRO 113 CO 0.09 -2.74 1.94 -0.85 0.04 0.00 0.00 177.00 175.48 1x5f n GLU 114 N 9.19 1.50 -2.19 4.56 -0.00 -1.26 -4.26 120.64 128.18 1x5f n GLU 114 Ca 0.21 -0.99 -0.25 0.00 -0.00 0.00 0.00 57.16 56.12 1x5f n GLU 114 Cb 0.52 -1.39 0.01 0.00 -0.00 0.00 0.00 31.44 30.59 1x5f n GLU 114 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1x5f n SER 115 N 0.69 4.91 -2.25 -1.84 2.88 -1.26 -5.04 113.62 111.71 1x5f n SER 115 Ca 0.19 -3.74 -0.05 0.00 -1.33 0.00 0.00 58.87 53.94 1x5f n SER 115 Cb 0.58 -0.40 -0.01 0.00 -0.75 0.00 0.00 64.21 63.63 1x5f n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5f n GLY 116 N -0.62 4.07 0.16 0.46 0.00 -1.26 -5.07 105.19 102.93 1x5f n GLY 116 Ca 0.42 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 1x5f n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5f h PRO 117 N 0.00 0.45 -5.99 1.61 0.13 -1.97 -3.43 132.00 122.80 1x5f h PRO 117 Ca -0.06 -0.24 -0.67 0.00 -0.87 0.00 0.00 66.00 64.17 1x5f h PRO 117 Cb 0.19 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 1x5f h PRO 117 CO 0.10 0.80 1.41 0.45 -0.23 0.00 0.00 178.00 180.54 1x5f n SER 118 N -4.48 2.23 -0.04 1.44 2.88 -1.26 -4.85 113.62 109.54 1x5f n SER 118 Ca -0.05 0.41 -0.01 0.00 -1.33 0.00 0.00 58.87 57.88 1x5f n SER 118 Cb 0.39 -1.28 -0.01 0.00 -0.75 0.00 0.00 64.21 62.56 1x5f n SER 118 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x5f h SER 119 N 12.48 -0.02 0.00 -3.46 0.87 -2.01 -3.49 113.55 117.92 1x5f h SER 119 Ca -0.28 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1x5f h SER 119 Cb 1.31 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1x5f h SER 119 CO 1.01 0.51 0.00 0.61 -0.53 0.00 0.00 176.83 178.44