#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfp s GLN 3 N 0.00 0.98 -0.18 1.45 -1.52 -0.42 -4.89 119.66 115.09 1xfp s GLN 3 Ca 0.00 -0.05 -0.08 0.00 -1.95 0.00 0.00 55.36 53.28 1xfp s GLN 3 Cb 0.00 -1.19 -0.04 0.00 -0.22 0.00 0.00 33.01 31.56 1xfp s GLN 3 CO 0.00 -0.26 0.07 -0.51 -0.25 0.00 0.00 175.29 174.34 1xfp s LEU 4 N 1.75 3.88 -0.08 2.90 1.43 -1.26 -1.58 118.68 125.72 1xfp s LEU 4 Ca 0.03 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1xfp s LEU 4 Cb -0.13 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.13 1xfp s LEU 4 CO -0.06 0.19 -0.14 -1.10 0.23 0.00 0.00 176.35 175.48 1xfp s GLN 5 N 0.26 1.96 0.26 1.70 1.11 -0.73 -4.30 119.66 119.92 1xfp s GLN 5 Ca 0.04 -0.49 0.09 0.00 0.01 0.00 0.00 55.36 55.01 1xfp s GLN 5 Cb -0.12 -1.62 -0.05 0.00 -1.01 0.00 0.00 33.01 30.21 1xfp s GLN 5 CO 0.00 0.01 -0.13 0.00 0.01 0.00 0.00 175.29 175.19 1xfp s ALA 6 N 0.74 2.40 0.24 6.09 0.00 -1.26 -0.74 121.76 129.23 1xfp s ALA 6 Ca -0.13 -1.84 -0.07 0.00 0.00 0.00 0.00 51.96 49.93 1xfp s ALA 6 Cb -0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1xfp s ALA 6 CO 0.03 0.08 0.32 -1.54 0.00 0.00 0.00 175.76 174.65 1xfp s SER 7 N -3.43 0.12 0.00 0.00 1.04 -0.07 -4.98 113.70 106.37 1xfp s SER 7 Ca 0.28 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1xfp s SER 7 Cb -0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1xfp s SER 7 CO 0.11 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1xfp n GLY 8 N -0.35 -1.16 7.00 7.32 0.00 -1.26 -1.30 105.19 115.44 1xfp n GLY 8 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1xfp n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfp n GLY 9 N 0.00 0.14 0.00 -0.02 0.00 -1.25 -4.92 105.19 99.13 1xfp n GLY 9 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1xfp n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfp n GLY 10 N 0.00 -0.52 3.76 -0.02 0.00 -0.79 -4.90 105.19 102.71 1xfp n GLY 10 Ca 0.00 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 1xfp n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xfp s SER 11 N -4.00 5.54 0.04 1.61 1.04 -1.26 -0.59 113.70 116.08 1xfp s SER 11 Ca 0.00 0.10 -0.23 0.00 0.48 0.00 0.00 55.95 56.30 1xfp s SER 11 Cb 0.00 -1.55 0.05 0.00 0.10 0.00 0.00 66.02 64.62 1xfp s SER 11 CO 0.00 0.27 0.54 0.54 0.98 0.00 0.00 173.24 175.57 1xfp s VAL 12 N -1.18 0.03 0.44 5.02 0.11 0.45 -4.95 120.40 120.31 1xfp s VAL 12 Ca 0.22 -0.21 -0.18 0.00 -2.93 0.00 0.00 61.98 58.88 1xfp s VAL 12 Cb -0.12 -0.97 -0.10 0.00 -1.53 0.00 0.00 36.38 33.66 1xfp s VAL 12 CO 0.13 -0.11 0.92 -1.58 -3.33 0.00 0.00 175.10 171.13 1xfp s GLN 13 N -2.40 4.09 0.26 1.54 0.74 -1.26 -1.20 119.66 121.43 1xfp s GLN 13 Ca -0.05 0.97 -0.29 0.00 0.05 0.00 0.00 55.36 56.03 1xfp s GLN 13 Cb -0.01 -2.22 -0.14 0.00 1.10 0.00 0.00 33.01 31.74 1xfp s GLN 13 CO -0.01 -0.07 1.02 0.00 -0.55 0.00 0.00 175.29 175.67 1xfp n ALA 14 N -0.91 -0.44 0.00 1.58 0.00 -0.02 -0.78 120.51 119.93 1xfp n ALA 14 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1xfp n ALA 14 Cb 0.54 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1xfp n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xfp n GLY 15 N 1.42 2.15 2.08 0.00 0.00 0.22 -4.94 105.19 106.13 1xfp n GLY 15 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 1xfp n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfp n GLY 16 N -2.00 -1.87 3.13 -0.02 0.00 0.04 -3.97 105.19 100.51 1xfp n GLY 16 Ca 0.00 -1.60 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 1xfp n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xfp s SER 17 N -3.50 1.20 0.02 1.61 0.01 -1.26 -2.05 113.70 109.74 1xfp s SER 17 Ca 0.41 -0.73 -0.09 0.00 1.31 0.00 0.00 55.95 56.85 1xfp s SER 17 Cb -0.02 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.24 1xfp s SER 17 CO 0.30 -0.26 0.19 -0.76 0.41 0.00 0.00 173.24 173.12 1xfp s LEU 18 N -2.15 1.38 -0.10 2.44 1.43 -0.23 -5.01 118.68 116.43 1xfp s LEU 18 Ca 0.00 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1xfp s LEU 18 Cb -0.05 0.90 0.03 0.00 0.03 0.00 0.00 46.19 47.10 1xfp s LEU 18 CO -0.00 -0.50 -0.05 -0.60 0.23 0.00 0.00 176.35 175.43 1xfp s ARG 19 N -2.13 1.28 0.05 1.70 3.52 -1.26 0.03 118.95 122.15 1xfp s ARG 19 Ca -0.08 -0.17 -0.06 0.00 -0.13 0.00 0.00 55.73 55.29 1xfp s ARG 19 Cb -0.03 -1.44 -0.05 0.00 -1.56 0.00 0.00 34.95 31.87 1xfp s ARG 19 CO -0.02 -0.28 0.31 -0.51 -0.81 0.00 0.00 175.30 173.99 1xfp s LEU 20 N 1.78 4.34 0.07 -0.88 1.43 -0.06 -3.83 118.68 121.53 1xfp s LEU 20 Ca 0.05 0.58 0.06 0.00 -1.03 0.00 0.00 54.13 53.78 1xfp s LEU 20 Cb -0.13 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 1xfp s LEU 20 CO -0.07 0.19 -0.15 -0.44 0.23 0.00 0.00 176.35 176.10 1xfp s SER 21 N -1.93 1.82 -0.11 2.29 0.01 -0.42 -1.14 113.70 114.22 1xfp s SER 21 Ca 0.32 -0.59 -0.10 0.00 1.31 0.00 0.00 55.95 56.89 1xfp s SER 21 Cb -0.13 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.05 1xfp s SER 21 CO 0.19 -0.03 0.29 0.00 0.41 0.00 0.00 173.24 174.10 1xfp s ALA 23 N 0.25 1.50 -0.10 0.00 0.00 0.08 -1.15 121.76 122.33 1xfp s ALA 23 Ca -0.01 -0.70 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 1xfp s ALA 23 Cb -0.03 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1xfp s ALA 23 CO -0.00 0.30 0.09 0.00 0.00 0.00 0.00 175.76 176.14 1xfp s ALA 24 N -0.09 3.64 -0.03 0.00 0.00 -0.56 -1.77 121.76 122.95 1xfp s ALA 24 Ca -0.01 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1xfp s ALA 24 Cb -0.10 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.25 1xfp s ALA 24 CO 0.01 0.61 -0.09 -1.54 0.00 0.00 0.00 175.76 174.75 1xfp s SER 25 N -0.99 1.23 0.00 0.00 1.04 -0.61 -4.81 113.70 109.57 1xfp s SER 25 Ca 0.14 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1xfp s SER 25 Cb -0.12 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.67 1xfp s SER 25 CO 0.04 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1xfp n GLY 26 N 3.28 0.84 3.94 7.32 0.00 -1.26 -1.31 105.19 118.00 1xfp n GLY 26 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1xfp n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xfp s TYR 27 N -2.00 3.41 0.00 1.61 1.51 -1.26 -4.76 117.35 115.86 1xfp s TYR 27 Ca 0.00 0.41 0.00 0.00 -1.01 0.00 0.00 57.07 56.47 1xfp s TYR 27 Cb 0.00 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 39.71 1xfp s TYR 27 CO 0.00 -0.14 0.00 0.25 -1.11 0.00 0.00 175.55 174.55 1xfp n THR 28 N -2.00 0.00 0.04 -0.71 -2.24 -1.26 -4.94 114.28 103.16 1xfp n THR 28 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1xfp n THR 28 Cb 0.56 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1xfp n THR 28 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1xfp n ILE 29 N -1.05 0.32 -0.09 2.28 5.41 -1.26 -5.11 119.36 119.86 1xfp n ILE 29 Ca 0.00 0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.86 1xfp n ILE 29 Cb 0.16 -1.16 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 1xfp n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xfp n GLY 30 N 2.59 -1.59 3.88 7.39 0.00 -1.26 -4.92 105.19 111.27 1xfp n GLY 30 Ca 0.00 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1xfp n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xfp s PRO 31 N -0.37 1.60 -0.06 1.61 0.04 -1.26 -4.88 135.00 131.69 1xfp s PRO 31 Ca 0.00 0.08 0.01 0.00 0.04 0.00 0.00 61.00 61.13 1xfp s PRO 31 Cb 0.00 -1.91 -0.26 0.00 0.04 0.00 0.00 34.50 32.37 1xfp s PRO 31 CO 0.00 -1.84 0.62 -0.92 0.04 0.00 0.00 177.00 174.90 1xfp h TYR 32 N -1.23 0.31 -4.02 0.56 3.20 -1.09 -3.43 116.97 111.28 1xfp h TYR 32 Ca -0.47 -0.23 -0.42 0.00 3.14 0.00 0.00 58.73 60.75 1xfp h TYR 32 Cb 1.32 -0.01 -0.24 0.00 1.54 0.00 0.00 36.73 39.33 1xfp h TYR 32 CO 0.10 1.41 -0.78 0.00 -1.64 0.00 0.00 178.16 177.24 1xfp s MET 34 N -1.17 0.57 0.39 0.00 -1.94 -0.97 -1.56 119.30 114.61 1xfp s MET 34 Ca 0.00 -0.21 -0.12 0.00 -1.71 0.00 0.00 55.69 53.66 1xfp s MET 34 Cb -0.08 -0.56 0.05 0.00 2.01 0.00 0.00 34.83 36.25 1xfp s MET 34 CO 0.01 0.10 0.72 0.20 -0.01 0.00 0.00 175.02 176.04 1xfp s GLY 35 N 0.03 0.72 -0.03 -0.03 0.00 0.34 -1.23 107.32 107.11 1xfp s GLY 35 Ca 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 43.76 1xfp s GLY 35 CO -0.00 -0.51 -0.14 -0.98 0.00 0.00 0.00 173.10 171.47 1xfp s TRP 36 N -2.34 1.43 0.29 1.90 0.52 0.94 -0.75 118.94 120.93 1xfp s TRP 36 Ca 0.20 -0.37 0.04 0.00 0.02 0.00 0.00 56.10 55.99 1xfp s TRP 36 Cb -0.04 -0.97 -0.06 0.00 -1.15 0.00 0.00 33.47 31.25 1xfp s TRP 36 CO 0.14 -0.12 0.02 -0.06 0.02 0.00 0.00 176.95 176.95 1xfp s PHE 37 N 0.02 1.85 0.07 -1.98 0.40 -0.01 -0.83 117.98 117.50 1xfp s PHE 37 Ca -0.02 -0.89 -0.13 0.00 -0.60 0.00 0.00 56.93 55.29 1xfp s PHE 37 Cb -0.10 -1.14 0.02 0.00 0.51 0.00 0.00 43.02 42.31 1xfp s PHE 37 CO 0.01 0.06 0.29 -0.98 0.70 0.00 0.00 175.22 175.30 1xfp s ARG 38 N -3.85 0.86 -0.14 0.44 1.70 0.10 0.12 118.95 118.18 1xfp s ARG 38 Ca 0.33 -0.65 -0.04 0.00 -0.47 0.00 0.00 55.73 54.90 1xfp s ARG 38 Cb 0.07 0.37 0.06 0.00 -0.57 0.00 0.00 34.95 34.87 1xfp s ARG 38 CO 0.13 -0.29 0.10 -1.14 -1.08 0.00 0.00 175.30 173.02 1xfp s GLN 39 N -3.09 0.04 0.65 3.89 0.74 0.17 -0.56 119.66 121.49 1xfp s GLN 39 Ca -0.01 0.07 -0.11 0.00 0.05 0.00 0.00 55.36 55.36 1xfp s GLN 39 Cb 0.01 -1.41 -0.02 0.00 1.10 0.00 0.00 33.01 32.68 1xfp s GLN 39 CO -0.07 -0.58 1.04 0.00 -0.55 0.00 0.00 175.29 175.14 1xfp s ALA 40 N 2.17 2.93 -0.20 1.58 0.00 -1.26 -1.53 121.76 125.45 1xfp s ALA 40 Ca 0.03 -0.00 -0.39 0.00 0.00 0.00 0.00 51.96 51.60 1xfp s ALA 40 Cb -0.15 -3.12 -0.15 0.00 0.00 0.00 0.00 23.12 19.70 1xfp s ALA 40 CO -0.08 -0.89 1.72 -2.30 0.00 0.00 0.00 175.76 174.21 1xfp n PRO 41 N -2.85 1.35 -0.60 0.00 -0.02 -1.26 -1.27 135.00 130.34 1xfp n PRO 41 Ca 0.07 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1xfp n PRO 41 Cb 0.54 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1xfp n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xfp n GLY 42 N 4.05 1.16 4.00 -1.23 0.00 -1.26 -5.00 105.19 106.91 1xfp n GLY 42 Ca 0.25 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 1xfp n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfp s LYS 43 N -0.19 2.91 0.49 1.61 -0.14 -0.40 -5.10 119.74 118.92 1xfp s LYS 43 Ca 0.00 -1.12 -0.18 0.00 -1.36 0.00 0.00 55.97 53.31 1xfp s LYS 43 Cb 0.00 -2.76 -0.09 0.00 -1.68 0.00 0.00 37.83 33.31 1xfp s LYS 43 CO 0.00 -0.20 0.98 -1.21 -0.76 0.00 0.00 175.35 174.16 1xfp s GLU 44 N -4.33 4.01 0.53 1.68 8.01 -1.26 -4.64 118.70 122.71 1xfp s GLU 44 Ca 0.52 1.01 -0.21 0.00 0.01 0.00 0.00 54.97 56.30 1xfp s GLU 44 Cb -0.10 -2.14 -0.05 0.00 -4.31 0.00 0.00 34.13 27.52 1xfp s GLU 44 CO 0.33 -0.22 1.24 0.50 0.01 0.00 0.00 175.26 177.11 1xfp s ARG 45 N -3.82 3.29 0.06 1.61 3.52 -1.26 -4.62 118.95 117.73 1xfp s ARG 45 Ca 0.60 1.93 0.01 0.00 -0.13 0.00 0.00 55.73 58.14 1xfp s ARG 45 Cb -0.10 -2.18 -0.03 0.00 -1.56 0.00 0.00 34.95 31.07 1xfp s ARG 45 CO 0.26 -0.98 -0.05 -1.83 -0.81 0.00 0.00 175.30 171.89 1xfp s GLU 46 N -3.00 0.62 0.45 5.12 -1.05 0.27 -4.94 118.70 116.18 1xfp s GLU 46 Ca 0.71 -1.07 -0.21 0.00 -0.15 0.00 0.00 54.97 54.25 1xfp s GLU 46 Cb -0.33 -0.05 -0.10 0.00 -0.44 0.00 0.00 34.13 33.21 1xfp s GLU 46 CO 0.38 -0.04 0.98 0.20 0.95 0.00 0.00 175.26 177.73 1xfp s GLY 47 N -2.46 2.43 0.05 -3.83 0.00 -1.09 -0.72 107.32 101.70 1xfp s GLY 47 Ca 0.02 0.47 -0.00 0.00 0.00 0.00 0.00 44.72 45.20 1xfp s GLY 47 CO -0.05 0.76 -0.01 -0.62 0.00 0.00 0.00 173.10 173.19 1xfp n VAL 48 N -0.73 0.66 -3.49 1.40 0.31 -0.01 -4.67 118.33 111.80 1xfp n VAL 48 Ca 0.08 0.21 -0.15 0.00 -0.01 0.00 0.00 64.34 64.47 1xfp n VAL 48 Cb 0.54 -1.56 -0.04 0.00 -0.91 0.00 0.00 33.84 31.87 1xfp n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xfp s ALA 49 N -2.01 -1.73 0.08 3.52 0.00 -0.88 -1.18 121.76 119.55 1xfp s ALA 49 Ca -0.01 1.03 -0.07 0.00 0.00 0.00 0.00 51.96 52.92 1xfp s ALA 49 Cb 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1xfp s ALA 49 CO 0.01 -0.53 0.15 0.00 0.00 0.00 0.00 175.76 175.39 1xfp s ALA 50 N -2.21 -0.09 -0.10 0.00 0.00 -0.22 -0.04 121.76 119.10 1xfp s ALA 50 Ca -0.05 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 1xfp s ALA 50 Cb -0.00 0.42 0.03 0.00 0.00 0.00 0.00 23.12 23.57 1xfp s ALA 50 CO -0.00 -0.46 0.27 -1.50 0.00 0.00 0.00 175.76 174.07 1xfp s ILE 51 N -3.72 -0.01 -0.15 0.00 2.07 -0.37 -0.96 121.20 118.06 1xfp s ILE 51 Ca 0.04 0.03 -0.29 0.00 -1.41 0.00 0.00 60.65 59.01 1xfp s ILE 51 Cb 0.05 -0.39 -0.00 0.00 0.13 0.00 0.00 42.46 42.24 1xfp s ILE 51 CO -0.10 0.01 1.04 0.20 -1.91 0.00 0.00 174.94 174.18 1xfp s ASN 52 N 0.36 7.17 0.32 4.50 -0.87 -0.46 -2.29 114.94 123.67 1xfp s ASN 52 Ca -0.02 1.49 0.03 0.00 -1.57 0.00 0.00 52.86 52.79 1xfp s ASN 52 Cb -0.03 -2.55 0.62 0.00 -0.02 0.00 0.00 41.25 39.27 1xfp s ASN 52 CO -0.01 -0.55 1.91 0.28 -2.57 0.00 0.00 177.10 176.16 1xfp h SER 53 N 7.28 0.82 -3.50 -1.22 0.02 -1.36 -1.04 113.55 114.55 1xfp h SER 53 Ca -0.26 0.01 -0.72 0.00 -0.84 0.00 0.00 61.79 59.98 1xfp h SER 53 Cb 1.11 -0.16 -0.21 0.00 0.14 0.00 0.00 62.40 63.29 1xfp h SER 53 CO 0.91 0.51 -0.39 -0.83 -1.14 0.00 0.00 176.83 175.89 1xfp s GLY 54 N -3.48 1.99 0.00 -3.77 0.00 -1.26 -4.33 107.32 96.46 1xfp s GLY 54 Ca -0.11 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 42.91 1xfp s GLY 54 CO 0.79 0.97 0.00 0.61 0.00 0.00 0.00 173.10 175.47 1xfp n GLY 55 N 5.15 2.34 2.13 0.20 0.00 -1.26 -4.68 105.19 109.08 1xfp n GLY 55 Ca -0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 1xfp n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfp n GLY 56 N 0.00 0.50 3.77 -0.02 0.00 -0.39 -5.00 105.19 104.05 1xfp n GLY 56 Ca 0.00 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1xfp n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xfp s SER 57 N -2.36 6.46 0.18 1.61 0.01 -1.26 -4.68 113.70 113.67 1xfp s SER 57 Ca 0.00 2.93 0.09 0.00 1.31 0.00 0.00 55.95 60.28 1xfp s SER 57 Cb 0.00 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 1xfp s SER 57 CO 0.00 -0.80 -0.11 0.42 0.41 0.00 0.00 173.24 173.16 1xfp s THR 58 N -0.83 3.11 -0.00 1.44 -4.23 -1.26 -1.35 115.64 112.51 1xfp s THR 58 Ca 0.54 -1.71 -0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1xfp s THR 58 Cb -0.45 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1xfp s THR 58 CO 0.57 -0.12 0.00 -0.31 -0.54 0.00 0.00 174.62 174.22 1xfp s TYR 59 N -1.73 -0.00 0.05 3.99 1.51 -0.13 -4.99 117.35 116.05 1xfp s TYR 59 Ca 0.25 0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 1xfp s TYR 59 Cb -0.09 -0.00 -0.03 0.00 -0.11 0.00 0.00 41.96 41.74 1xfp s TYR 59 CO 0.15 -0.00 -0.09 0.71 -1.11 0.00 0.00 175.55 175.20 1xfp s TYR 60 N -0.02 0.78 0.38 2.71 1.51 -1.26 -1.05 117.35 120.39 1xfp s TYR 60 Ca -0.00 -0.50 -0.25 0.00 -1.01 0.00 0.00 57.07 55.32 1xfp s TYR 60 Cb -0.00 -0.46 -0.09 0.00 -0.11 0.00 0.00 41.96 41.30 1xfp s TYR 60 CO -0.00 -0.06 1.02 0.00 -1.11 0.00 0.00 175.55 175.40 1xfp s ALA 61 N -1.38 3.13 0.48 3.71 0.00 -0.33 -4.90 121.76 122.47 1xfp s ALA 61 Ca -0.08 0.64 0.21 0.00 0.00 0.00 0.00 51.96 52.72 1xfp s ALA 61 Cb -0.10 -3.24 1.23 0.00 0.00 0.00 0.00 23.12 21.01 1xfp s ALA 61 CO 0.01 -0.08 1.95 -0.44 0.00 0.00 0.00 175.76 177.20 1xfp h ASP 62 N 2.69 0.19 0.43 0.00 3.32 -1.94 -1.32 116.42 119.80 1xfp h ASP 62 Ca -0.48 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1xfp h ASP 62 Cb 1.21 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1xfp h ASP 62 CO 0.63 0.10 0.00 0.77 -1.72 0.00 0.00 179.24 179.02 1xfp h SER 63 N 0.21 0.00 -0.00 6.45 4.64 -1.96 -3.11 113.55 119.78 1xfp h SER 63 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1xfp h SER 63 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1xfp h SER 63 CO -0.06 0.00 -0.00 1.33 -0.87 0.00 0.00 176.83 177.22 1xfp n VAL 64 N -3.04 0.00 -1.67 0.95 0.24 -0.53 -5.01 118.33 109.27 1xfp n VAL 64 Ca -0.01 -0.50 -0.45 0.00 -2.04 0.00 0.00 64.34 61.33 1xfp n VAL 64 Cb 0.17 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.51 1xfp n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1xfp n LYS 65 N -0.18 2.12 0.00 7.34 5.02 -1.03 -1.64 118.16 129.79 1xfp n LYS 65 Ca 0.00 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 1xfp n LYS 65 Cb 0.01 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 32.54 1xfp n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xfp n GLY 66 N 2.87 2.44 0.03 0.72 0.00 -1.26 -4.78 105.19 105.20 1xfp n GLY 66 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 1xfp n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfp n ARG 67 N -2.00 1.83 -4.14 1.61 1.74 -0.65 -5.04 116.66 110.02 1xfp n ARG 67 Ca 0.00 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.77 1xfp n ARG 67 Cb 0.00 -1.12 -0.07 0.00 -1.02 0.00 0.00 32.46 30.24 1xfp n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1xfp s PHE 68 N -2.12 3.24 -0.06 -1.55 0.40 -0.73 -1.72 117.98 115.43 1xfp s PHE 68 Ca -0.05 0.18 -0.01 0.00 -0.60 0.00 0.00 56.93 56.45 1xfp s PHE 68 Cb 0.02 -1.72 0.03 0.00 0.51 0.00 0.00 43.02 41.85 1xfp s PHE 68 CO 0.17 0.53 -0.01 0.99 0.70 0.00 0.00 175.22 177.61 1xfp s THR 69 N -1.17 0.37 -0.12 0.64 2.01 -0.38 -4.87 115.64 112.12 1xfp s THR 69 Ca 0.22 0.08 -0.06 0.00 0.31 0.00 0.00 61.69 62.23 1xfp s THR 69 Cb -0.12 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 1xfp s THR 69 CO 0.13 0.24 0.12 -0.51 -0.69 0.00 0.00 174.62 173.91 1xfp s ILE 70 N 1.66 5.31 0.27 1.82 2.07 -1.26 -0.73 121.20 130.34 1xfp s ILE 70 Ca 0.00 0.14 -0.01 0.00 -1.41 0.00 0.00 60.65 59.37 1xfp s ILE 70 Cb -0.13 -3.31 -0.02 0.00 0.13 0.00 0.00 42.46 39.13 1xfp s ILE 70 CO -0.04 0.60 0.29 -0.94 -1.91 0.00 0.00 174.94 172.95 1xfp s SER 71 N -0.86 0.69 0.36 4.50 1.04 -0.67 -4.99 113.70 113.78 1xfp s SER 71 Ca 0.14 -1.44 -0.12 0.00 0.48 0.00 0.00 55.95 55.00 1xfp s SER 71 Cb -0.12 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.56 1xfp s SER 71 CO 0.03 -1.04 0.69 0.00 0.98 0.00 0.00 173.24 173.90 1xfp s GLN 72 N -3.71 2.11 -0.39 4.02 -2.07 -1.26 -0.56 119.66 117.80 1xfp s GLN 72 Ca 0.35 -1.49 0.03 0.00 -1.82 0.00 0.00 55.36 52.43 1xfp s GLN 72 Cb 0.03 0.57 0.16 0.00 -1.09 0.00 0.00 33.01 32.68 1xfp s GLN 72 CO 0.18 -0.96 0.32 0.34 -1.32 0.00 0.00 175.29 173.85 1xfp s ASP 73 N -3.10 1.79 0.56 12.60 3.68 -1.02 -4.99 116.67 126.18 1xfp s ASP 73 Ca 0.19 -2.58 0.26 0.00 2.13 0.00 0.00 52.55 52.55 1xfp s ASP 73 Cb -0.04 -0.23 1.54 0.00 -1.45 0.00 0.00 42.92 42.74 1xfp s ASP 73 CO 0.13 -0.22 2.10 -0.55 0.13 0.00 0.00 175.17 176.76 1xfp h ASN 74 N 6.20 0.00 0.50 -0.34 7.08 -1.87 -0.93 115.58 126.22 1xfp h ASN 74 Ca 0.17 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.31 1xfp h ASN 74 Cb 0.95 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.18 1xfp h ASN 74 CO 0.30 0.00 -0.37 0.00 -2.08 0.00 0.00 177.43 175.28 1xfp h ALA 75 N 1.82 1.24 -0.36 4.14 0.00 -1.95 -3.05 119.26 121.10 1xfp h ALA 75 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xfp h ALA 75 Cb 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xfp h ALA 75 CO -0.00 0.47 0.00 1.63 0.00 0.00 0.00 179.25 181.35 1xfp n LYS 76 N -3.88 2.72 -3.78 0.00 5.02 -0.44 -5.00 118.16 112.79 1xfp n LYS 76 Ca -0.01 -2.05 -0.23 0.00 -2.02 0.00 0.00 58.31 53.99 1xfp n LYS 76 Cb 0.43 -1.29 0.01 0.00 -0.02 0.00 0.00 35.03 34.16 1xfp n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xfp n ASN 77 N 0.63 -1.21 -4.35 4.39 3.02 -0.70 -4.72 115.26 112.32 1xfp n ASN 77 Ca 0.12 -0.90 -0.19 0.00 -0.03 0.00 0.00 54.58 53.58 1xfp n ASN 77 Cb 0.44 -3.67 -0.10 0.00 -0.61 0.00 0.00 39.78 35.83 1xfp n ASN 77 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1xfp s THR 78 N -3.76 1.79 0.01 3.41 -4.23 -1.11 -1.50 115.64 110.25 1xfp s THR 78 Ca 0.04 -2.16 -0.05 0.00 -1.18 0.00 0.00 61.69 58.34 1xfp s THR 78 Cb -0.01 -2.01 -0.00 0.00 1.34 0.00 0.00 72.50 71.82 1xfp s THR 78 CO 0.84 -0.53 0.09 0.54 -0.54 0.00 0.00 174.62 175.03 1xfp s VAL 79 N -2.74 0.09 0.07 2.29 0.11 -0.30 -2.45 120.40 117.47 1xfp s VAL 79 Ca 0.21 -0.77 0.03 0.00 -2.93 0.00 0.00 61.98 58.53 1xfp s VAL 79 Cb -0.02 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 1xfp s VAL 79 CO 0.07 -0.42 -0.09 -0.31 -3.33 0.00 0.00 175.10 171.02 1xfp s TYR 80 N -1.45 0.90 -0.19 1.54 2.02 0.28 -1.01 117.35 119.43 1xfp s TYR 80 Ca -0.15 -0.61 -0.03 0.00 -0.37 0.00 0.00 57.07 55.91 1xfp s TYR 80 Cb -0.08 -0.52 0.06 0.00 -0.40 0.00 0.00 41.96 41.02 1xfp s TYR 80 CO 0.01 -0.05 0.03 -1.17 -1.57 0.00 0.00 175.55 172.80 1xfp s LEU 81 N -2.12 1.22 -0.25 -1.29 2.96 -0.29 -1.66 118.68 117.25 1xfp s LEU 81 Ca -0.00 -0.83 -0.19 0.00 -0.22 0.00 0.00 54.13 52.89 1xfp s LEU 81 Cb -0.05 -0.61 -0.02 0.00 0.50 0.00 0.00 46.19 46.00 1xfp s LEU 81 CO -0.00 -0.30 0.58 -0.22 -1.32 0.00 0.00 176.35 175.08 1xfp s LEU 82 N 1.84 4.07 -0.35 -0.68 2.96 0.09 -0.88 118.68 125.74 1xfp s LEU 82 Ca -0.01 0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 54.52 1xfp s LEU 82 Cb -0.17 -2.78 0.07 0.00 0.50 0.00 0.00 46.19 43.81 1xfp s LEU 82 CO -0.08 -0.31 0.10 -0.04 -1.32 0.00 0.00 176.35 174.70 1xfp s MET 83 N 2.29 2.35 0.32 1.98 -1.94 0.11 -1.25 119.30 123.16 1xfp s MET 83 Ca 0.24 -1.43 0.08 0.00 -1.71 0.00 0.00 55.69 52.88 1xfp s MET 83 Cb -0.16 -3.40 -0.03 0.00 2.01 0.00 0.00 34.83 33.25 1xfp s MET 83 CO 0.09 -0.79 0.24 -0.80 -0.01 0.00 0.00 175.02 173.75 1xfp s ASN 84 N 1.51 5.17 -1.46 3.03 0.01 -0.70 -1.07 114.94 121.44 1xfp s ASN 84 Ca 0.00 -0.52 -0.05 0.00 -0.71 0.00 0.00 52.86 51.58 1xfp s ASN 84 Cb -0.21 -0.98 0.04 0.00 0.41 0.00 0.00 41.25 40.51 1xfp s ASN 84 CO -0.01 -0.28 0.57 -1.20 -1.51 0.00 0.00 177.10 174.67 1xfp n SER 85 N -1.28 -1.38 -4.76 -1.22 7.64 -1.12 -4.65 113.62 106.84 1xfp n SER 85 Ca -0.03 -0.96 -0.38 0.00 1.01 0.00 0.00 58.87 58.51 1xfp n SER 85 Cb 0.60 -3.22 0.01 0.00 -1.01 0.00 0.00 64.21 60.59 1xfp n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xfp s LEU 86 N -7.01 3.94 0.14 -3.43 1.43 -0.87 -4.64 118.68 108.24 1xfp s LEU 86 Ca 0.20 2.52 0.05 0.00 -1.03 0.00 0.00 54.13 55.86 1xfp s LEU 86 Cb -0.10 -4.25 -0.04 0.00 0.03 0.00 0.00 46.19 41.82 1xfp s LEU 86 CO 0.88 -1.21 -0.11 -1.61 0.23 0.00 0.00 176.35 174.53 1xfp s GLU 87 N -2.79 1.05 0.40 1.70 8.01 -1.26 0.73 118.70 126.53 1xfp s GLU 87 Ca 0.67 -1.39 0.19 0.00 0.01 0.00 0.00 54.97 54.45 1xfp s GLU 87 Cb -0.34 -0.70 1.11 0.00 -4.31 0.00 0.00 34.13 29.89 1xfp s GLU 87 CO 0.41 0.10 1.77 -1.35 0.01 0.00 0.00 175.26 176.20 1xfp h PRO 88 N 3.00 0.38 0.00 0.39 0.11 -1.83 0.34 132.00 134.37 1xfp h PRO 88 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1xfp h PRO 88 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xfp h PRO 88 CO 0.60 0.25 0.00 0.39 -0.21 0.00 0.00 178.00 179.03 1xfp n GLU 89 N -4.63 0.07 0.00 1.05 4.71 -1.26 -1.57 120.64 119.01 1xfp n GLU 89 Ca 0.26 0.25 0.13 0.00 -0.01 0.00 0.00 57.16 57.78 1xfp n GLU 89 Cb 0.89 -1.50 0.38 0.00 -1.01 0.00 0.00 31.44 30.20 1xfp n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1xfp n ASP 90 N -1.41 0.64 -4.70 1.62 10.43 0.12 -4.89 116.55 118.36 1xfp n ASP 90 Ca 0.04 -0.47 -0.42 0.00 2.57 0.00 0.00 54.79 56.51 1xfp n ASP 90 Cb 0.12 0.10 -0.03 0.00 1.84 0.00 0.00 41.12 43.15 1xfp n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1xfp s THR 91 N -2.74 2.63 0.00 -3.53 2.01 -0.61 -4.90 115.64 108.51 1xfp s THR 91 Ca 0.19 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1xfp s THR 91 Cb 0.19 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.51 1xfp s THR 91 CO 0.59 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.53 1xfp n ALA 92 N 4.89 0.00 -2.65 7.40 0.00 -0.72 -4.58 120.51 124.85 1xfp n ALA 92 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.19 1xfp n ALA 92 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 1xfp n ALA 92 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xfp s ILE 93 N -2.00 4.98 -0.12 0.00 -1.09 -0.58 -1.64 121.20 120.74 1xfp s ILE 93 Ca 0.00 1.27 -0.10 0.00 -2.23 0.00 0.00 60.65 59.59 1xfp s ILE 93 Cb 0.00 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 1xfp s ILE 93 CO 0.00 0.07 0.21 -0.31 -1.23 0.00 0.00 174.94 173.68 1xfp s TYR 94 N 2.13 3.56 -0.08 3.97 1.51 0.83 -0.66 117.35 128.61 1xfp s TYR 94 Ca 0.30 0.58 0.04 0.00 -1.01 0.00 0.00 57.07 56.98 1xfp s TYR 94 Cb -0.16 -2.11 -0.01 0.00 -0.11 0.00 0.00 41.96 39.57 1xfp s TYR 94 CO 0.10 0.55 -0.21 0.71 -1.11 0.00 0.00 175.55 175.59 1xfp s TYR 95 N -0.52 2.57 0.16 2.71 2.02 0.12 -0.36 117.35 124.05 1xfp s TYR 95 Ca 0.15 -0.72 -0.19 0.00 -0.37 0.00 0.00 57.07 55.93 1xfp s TYR 95 Cb -0.13 -1.68 -0.08 0.00 -0.40 0.00 0.00 41.96 39.68 1xfp s TYR 95 CO 0.04 -0.22 0.66 0.00 -1.57 0.00 0.00 175.55 174.46 1xfp s ALA 97 N -1.35 -0.01 -0.00 0.00 0.00 0.07 -0.87 121.76 119.59 1xfp s ALA 97 Ca 0.37 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.45 1xfp s ALA 97 Cb -0.18 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.36 1xfp s ALA 97 CO 0.21 -0.45 0.22 0.00 0.00 0.00 0.00 175.76 175.73 1xfp s ALA 98 N -3.77 -0.54 -0.27 0.00 0.00 -0.56 -0.51 121.76 116.12 1xfp s ALA 98 Ca 0.05 0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.04 1xfp s ALA 98 Cb 0.05 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1xfp s ALA 98 CO -0.10 -0.24 -0.00 0.34 0.00 0.00 0.00 175.76 175.76 1xfp s ASP 99 N -1.38 4.68 0.08 0.00 3.68 -0.60 -2.09 116.67 121.03 1xfp s ASP 99 Ca -0.14 -0.85 0.27 0.00 2.13 0.00 0.00 52.55 53.96 1xfp s ASP 99 Cb -0.06 -1.75 0.91 0.00 -1.45 0.00 0.00 42.92 40.57 1xfp s ASP 99 CO 0.03 -0.16 1.75 -1.20 0.13 0.00 0.00 175.17 175.71 1xfp n SER 100 N 4.74 0.39 -4.70 -0.34 7.64 -1.26 -0.63 113.62 119.46 1xfp n SER 100 Ca -0.15 0.38 -0.42 0.00 1.01 0.00 0.00 58.87 59.69 1xfp n SER 100 Cb 0.47 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 1xfp n SER 100 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xfp s THR 101 N -3.05 3.63 -0.80 0.44 2.01 -1.26 -4.63 115.64 111.99 1xfp s THR 101 Ca 0.12 1.08 -0.17 0.00 0.31 0.00 0.00 61.69 63.02 1xfp s THR 101 Cb 0.16 -3.69 0.15 0.00 0.01 0.00 0.00 72.50 69.13 1xfp s THR 101 CO 0.59 0.03 0.89 -0.63 -0.69 0.00 0.00 174.62 174.81 1xfp s ILE 102 N 1.94 5.03 0.58 1.82 -1.09 -1.26 -4.44 121.20 123.77 1xfp s ILE 102 Ca 0.64 -1.67 -0.20 0.00 -2.23 0.00 0.00 60.65 57.18 1xfp s ILE 102 Cb -0.33 -4.60 -0.04 0.00 -1.58 0.00 0.00 42.46 35.91 1xfp s ILE 102 CO 0.28 -1.25 1.28 -1.22 -1.23 0.00 0.00 174.94 172.80 1xfp n TYR 103 N 5.69 1.99 0.06 3.97 4.02 -1.26 -4.96 117.16 126.68 1xfp n TYR 103 Ca 0.11 0.43 -0.10 0.00 -0.01 0.00 0.00 57.90 58.33 1xfp n TYR 103 Cb 0.46 -2.31 -0.07 0.00 -0.02 0.00 0.00 39.34 37.41 1xfp n TYR 103 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xfp h ALA 104 N 1.08 -0.25 -1.96 -0.72 0.00 -2.04 -3.46 119.26 111.91 1xfp h ALA 104 Ca -0.50 -0.21 -0.45 0.00 0.00 0.00 0.00 54.91 53.75 1xfp h ALA 104 Cb 1.32 0.10 0.04 0.00 0.00 0.00 0.00 17.79 19.25 1xfp h ALA 104 CO 0.55 -0.31 -0.06 -1.12 0.00 0.00 0.00 179.25 178.32 1xfp s SER 105 N -5.42 5.55 0.31 0.00 0.01 -1.26 -5.03 113.70 107.87 1xfp s SER 105 Ca -0.11 0.15 -0.30 0.00 1.31 0.00 0.00 55.95 57.00 1xfp s SER 105 Cb 0.00 -1.21 -0.12 0.00 0.21 0.00 0.00 66.02 64.90 1xfp s SER 105 CO 0.42 -0.93 1.57 0.00 0.41 0.00 0.00 173.24 174.71 1xfp n TYR 106 N -2.22 2.88 -4.65 2.43 9.36 -1.26 -4.99 117.16 118.71 1xfp n TYR 106 Ca 0.05 0.31 -0.27 0.00 3.32 0.00 0.00 57.90 61.30 1xfp n TYR 106 Cb 0.59 -2.58 -0.17 0.00 -0.63 0.00 0.00 39.34 36.55 1xfp n TYR 106 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1xfp s TYR 107 N -0.30 1.77 -0.33 2.98 5.04 -1.26 -5.10 117.35 120.15 1xfp s TYR 107 Ca 0.61 -0.72 -0.26 0.00 -2.44 0.00 0.00 57.07 54.26 1xfp s TYR 107 Cb -0.49 -1.27 0.01 0.00 0.35 0.00 0.00 41.96 40.56 1xfp s TYR 107 CO 0.53 -0.36 0.93 -1.21 -1.34 0.00 0.00 175.55 174.10 1xfp s GLU 108 N 0.71 3.94 0.42 4.97 2.02 -1.26 -4.91 118.70 124.60 1xfp s GLU 108 Ca -0.13 0.72 0.29 0.00 0.02 0.00 0.00 54.97 55.88 1xfp s GLU 108 Cb -0.16 -3.76 1.49 0.00 0.10 0.00 0.00 34.13 31.80 1xfp s GLU 108 CO 0.03 -0.85 1.89 0.00 0.02 0.00 0.00 175.26 176.35 1xfp h GLY 110 N 0.63 0.00 0.22 0.00 0.00 -1.91 -3.26 103.07 98.74 1xfp h GLY 110 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 1xfp h GLY 110 CO 0.00 0.00 0.04 0.45 0.00 0.00 0.00 176.54 177.03 1xfp h HIS 111 N 0.00 0.04 0.00 5.60 3.86 -1.78 -1.39 115.15 121.48 1xfp h HIS 111 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1xfp h HIS 111 Cb 0.47 0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1xfp h HIS 111 CO 0.00 -0.08 0.00 0.78 0.86 0.00 0.00 177.93 179.49 1xfp h GLY 112 N 0.16 0.00 1.14 2.45 0.00 -1.72 -3.14 103.07 101.97 1xfp h GLY 112 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1xfp h GLY 112 CO -0.39 0.00 0.54 1.41 0.00 0.00 0.00 176.54 178.10 1xfp h LEU 113 N 0.00 1.01 -2.68 3.11 4.07 -1.44 0.68 115.31 120.05 1xfp h LEU 113 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1xfp h LEU 113 Cb 0.28 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1xfp h LEU 113 CO 0.00 0.75 0.00 -1.54 -1.08 0.00 0.00 178.44 176.57 1xfp n SER 114 N -4.39 2.90 -2.01 -0.43 3.41 -1.19 -2.68 113.62 109.23 1xfp n SER 114 Ca 0.10 -1.93 -0.24 0.00 -0.26 0.00 0.00 58.87 56.53 1xfp n SER 114 Cb 0.04 -0.22 0.04 0.00 -0.26 0.00 0.00 64.21 63.81 1xfp n SER 114 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xfp n THR 115 N 0.64 2.69 -2.19 6.66 -2.24 -1.13 -4.92 114.28 113.79 1xfp n THR 115 Ca 0.12 -3.96 -0.20 0.00 -2.27 0.00 0.00 64.05 57.74 1xfp n THR 115 Cb 0.43 -1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 67.53 1xfp n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xfp n GLY 116 N -0.76 0.11 2.09 3.38 0.00 -1.25 -2.03 105.19 106.73 1xfp n GLY 116 Ca 0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.40 1xfp n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfp n GLY 117 N -0.90 0.58 3.69 -0.02 0.00 0.22 -4.98 105.19 103.78 1xfp n GLY 117 Ca -0.23 -0.91 -0.44 0.00 0.00 0.00 0.00 46.02 44.44 1xfp n GLY 117 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xfp n TYR 118 N -3.05 2.47 0.00 1.61 9.36 -0.86 -1.27 117.16 125.41 1xfp n TYR 118 Ca -0.03 0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.41 1xfp n TYR 118 Cb 0.16 -2.57 0.00 0.00 -0.63 0.00 0.00 39.34 36.30 1xfp n TYR 118 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xfp n GLY 119 N 3.22 2.95 3.56 2.98 0.00 -1.26 -4.15 105.19 112.49 1xfp n GLY 119 Ca 0.15 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1xfp n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xfp s TYR 120 N -2.19 2.34 -0.49 1.61 1.51 -0.40 -4.51 117.35 115.22 1xfp s TYR 120 Ca 0.00 0.14 0.23 0.00 -1.01 0.00 0.00 57.07 56.43 1xfp s TYR 120 Cb 0.00 -4.56 0.15 0.00 -0.11 0.00 0.00 41.96 37.44 1xfp s TYR 120 CO 0.00 -1.96 1.15 -0.40 -1.11 0.00 0.00 175.55 173.23 1xfp n ASP 121 N 9.29 0.72 -4.38 2.29 5.75 -0.92 -4.89 116.55 124.40 1xfp n ASP 121 Ca 0.06 0.11 -0.32 0.00 -0.01 0.00 0.00 54.79 54.63 1xfp n ASP 121 Cb 0.49 0.43 -0.15 0.00 -1.03 0.00 0.00 41.12 40.86 1xfp n ASP 121 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1xfp s SER 122 N -4.54 3.62 0.01 -1.12 0.01 -0.89 -5.01 113.70 105.78 1xfp s SER 122 Ca 0.03 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.96 1xfp s SER 122 Cb 0.12 -0.88 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 1xfp s SER 122 CO 0.76 0.29 -0.05 0.26 0.41 0.00 0.00 173.24 174.91 1xfp s TRP 123 N -0.40 0.46 0.82 2.43 0.52 -1.26 -1.49 118.94 120.02 1xfp s TRP 123 Ca 0.04 -0.25 -0.12 0.00 0.02 0.00 0.00 56.10 55.79 1xfp s TRP 123 Cb -0.12 -0.29 0.10 0.00 -1.15 0.00 0.00 33.47 32.01 1xfp s TRP 123 CO 0.02 -0.05 1.19 0.20 0.02 0.00 0.00 176.95 178.33 1xfp s GLY 124 N -0.71 1.63 0.36 0.98 0.00 -0.05 -4.42 107.32 105.11 1xfp s GLY 124 Ca -0.04 -0.76 0.18 0.00 0.00 0.00 0.00 44.72 44.10 1xfp s GLY 124 CO -0.00 -0.24 1.71 1.46 0.00 0.00 0.00 173.10 176.03 1xfp h GLN 125 N -1.10 0.00 0.00 2.90 4.20 -1.90 -3.44 115.11 115.77 1xfp h GLN 125 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1xfp h GLN 125 Cb 1.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1xfp h GLN 125 CO 0.61 0.41 0.00 0.41 -0.67 0.00 0.00 178.83 179.59 1xfp n GLY 126 N 0.27 3.22 3.11 3.46 0.00 -1.26 -5.05 105.19 108.94 1xfp n GLY 126 Ca -0.00 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 1xfp n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfp s THR 127 N -0.11 1.67 0.18 2.61 2.01 0.51 -4.90 115.64 117.61 1xfp s THR 127 Ca 0.00 -0.76 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 1xfp s THR 127 Cb 0.00 -1.49 -0.08 0.00 0.01 0.00 0.00 72.50 70.94 1xfp s THR 127 CO 0.00 0.47 1.20 -1.58 -0.69 0.00 0.00 174.62 174.02 1xfp s GLN 128 N 0.75 4.49 -0.11 4.92 2.00 -1.26 -0.12 119.66 130.32 1xfp s GLN 128 Ca -0.11 1.87 0.00 0.00 -2.00 0.00 0.00 55.36 55.13 1xfp s GLN 128 Cb -0.16 -3.24 0.02 0.00 0.80 0.00 0.00 33.01 30.43 1xfp s GLN 128 CO 0.02 -0.10 -0.10 0.08 -0.50 0.00 0.00 175.29 174.68 1xfp s VAL 129 N 0.01 1.19 -0.12 1.34 1.01 -0.65 -1.88 120.40 121.29 1xfp s VAL 129 Ca 0.53 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1xfp s VAL 129 Cb -0.33 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 34.92 1xfp s VAL 129 CO 0.36 0.39 -0.14 -0.89 0.00 0.00 0.00 175.10 174.82 1xfp s THR 130 N 1.42 1.47 -0.23 3.92 2.01 0.24 -1.75 115.64 122.72 1xfp s THR 130 Ca 0.01 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 61.39 1xfp s THR 130 Cb -0.13 -1.36 0.03 0.00 0.01 0.00 0.00 72.50 71.05 1xfp s THR 130 CO -0.06 0.44 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.51 1xfp s VAL 131 N 1.13 2.56 -2.29 3.82 1.01 -1.26 -0.41 120.40 124.95 1xfp s VAL 131 Ca -0.04 -1.10 0.30 0.00 0.00 0.00 0.00 61.98 61.14 1xfp s VAL 131 Cb -0.14 -2.28 0.70 0.00 0.00 0.00 0.00 36.38 34.66 1xfp s VAL 131 CO -0.04 0.25 1.95 -1.54 0.00 0.00 0.00 175.10 175.72