#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfi s VAL 2 N 0.00 3.21 -0.09 1.69 0.11 -1.26 -4.92 120.40 119.15 3cfi s VAL 2 Ca 0.00 0.79 0.13 0.00 -2.93 0.00 0.00 61.98 59.98 3cfi s VAL 2 Cb 0.00 -3.51 -0.20 0.00 -1.53 0.00 0.00 36.38 31.14 3cfi s VAL 2 CO 0.00 0.04 0.32 0.00 -3.33 0.00 0.00 175.10 172.13 3cfi n GLN 3 N 4.54 0.67 -3.85 1.54 10.64 -1.26 -4.84 117.38 124.82 3cfi n GLN 3 Ca 0.13 -0.11 -0.30 0.00 -1.83 0.00 0.00 57.00 54.89 3cfi n GLN 3 Cb 0.42 -1.30 -0.16 0.00 -0.86 0.00 0.00 30.24 28.34 3cfi n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3cfi s LEU 4 N -3.78 2.45 -0.17 2.61 1.43 -1.26 -1.58 118.68 118.37 3cfi s LEU 4 Ca -0.04 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 3cfi s LEU 4 Cb 0.09 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 45.30 3cfi s LEU 4 CO 0.56 -0.32 -0.17 -1.58 0.23 0.00 0.00 176.35 175.07 3cfi s GLN 5 N 1.50 3.10 0.37 1.70 2.00 -1.00 -3.80 119.66 123.53 3cfi s GLN 5 Ca 0.02 -0.79 -0.06 0.00 -2.00 0.00 0.00 55.36 52.53 3cfi s GLN 5 Cb -0.18 -2.62 -0.05 0.00 0.80 0.00 0.00 33.01 30.97 3cfi s GLN 5 CO -0.12 -0.12 0.66 -1.21 -0.50 0.00 0.00 175.29 174.00 3cfi s GLU 6 N 1.12 3.62 0.34 1.67 8.01 -1.26 -0.30 118.70 131.91 3cfi s GLU 6 Ca 0.00 0.11 0.07 0.00 0.01 0.00 0.00 54.97 55.17 3cfi s GLU 6 Cb -0.14 -2.52 -0.03 0.00 -4.31 0.00 0.00 34.13 27.13 3cfi s GLU 6 CO -0.07 0.04 0.27 -1.12 0.01 0.00 0.00 175.26 174.39 3cfi s SER 7 N -3.51 1.86 0.00 -0.19 0.01 0.92 -4.87 113.70 107.93 3cfi s SER 7 Ca 0.46 -1.77 0.00 0.00 1.31 0.00 0.00 55.95 55.95 3cfi s SER 7 Cb -0.10 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.69 3cfi s SER 7 CO 0.35 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.55 3cfi n GLY 8 N -0.67 -0.68 0.27 3.44 0.00 -1.26 -2.05 105.19 104.24 3cfi n GLY 8 Ca 0.06 -1.38 0.02 0.00 0.00 0.00 0.00 46.02 44.72 3cfi n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfi n GLY 9 N 0.00 -2.83 0.00 -0.02 0.00 -1.26 -4.86 105.19 96.22 3cfi n GLY 9 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3cfi n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfi n GLY 10 N -2.23 0.93 3.70 -0.02 0.00 0.29 -4.94 105.19 102.91 3cfi n GLY 10 Ca -0.01 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 3cfi n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cfi s LEU 11 N 0.00 4.28 -0.01 0.99 2.96 -1.26 -2.34 118.68 123.30 3cfi s LEU 11 Ca 0.00 1.45 -0.05 0.00 -0.22 0.00 0.00 54.13 55.32 3cfi s LEU 11 Cb 0.00 -3.43 0.00 0.00 0.50 0.00 0.00 46.19 43.27 3cfi s LEU 11 CO 0.00 -0.33 0.10 0.68 -1.32 0.00 0.00 176.35 175.49 3cfi s VAL 12 N 1.52 0.05 0.43 1.68 -7.23 -1.13 -5.03 120.40 110.70 3cfi s VAL 12 Ca 0.46 -0.42 -0.23 0.00 -1.81 0.00 0.00 61.98 59.97 3cfi s VAL 12 Cb -0.19 -0.29 -0.08 0.00 0.56 0.00 0.00 36.38 36.38 3cfi s VAL 12 CO 0.20 -0.23 1.09 -1.10 -0.31 0.00 0.00 175.10 174.75 3cfi s GLN 13 N -0.76 3.95 0.19 4.82 1.11 -1.26 -3.22 119.66 124.49 3cfi s GLN 13 Ca -0.08 1.59 -0.33 0.00 0.01 0.00 0.00 55.36 56.54 3cfi s GLN 13 Cb -0.05 -2.42 -0.13 0.00 -1.01 0.00 0.00 33.01 29.39 3cfi s GLN 13 CO 0.01 -0.34 1.57 -0.35 0.01 0.00 0.00 175.29 176.19 3cfi n PRO 14 N -0.36 2.25 -0.08 2.91 -0.04 -1.26 -0.77 135.00 137.65 3cfi n PRO 14 Ca 0.06 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 3cfi n PRO 14 Cb 0.49 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 3cfi n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cfi n GLY 15 N 3.22 0.98 3.84 0.55 0.00 0.47 -4.96 105.19 109.29 3cfi n GLY 15 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3cfi n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cfi s GLY 16 N -1.86 1.58 0.25 -0.02 0.00 0.05 -4.11 107.32 103.22 3cfi s GLY 16 Ca 0.00 -0.58 0.09 0.00 0.00 0.00 0.00 44.72 44.23 3cfi s GLY 16 CO 0.00 -0.06 0.06 -0.56 0.00 0.00 0.00 173.10 172.54 3cfi s SER 17 N -4.30 4.87 -0.18 1.64 0.01 -1.26 -2.03 113.70 112.46 3cfi s SER 17 Ca 0.63 -0.50 -0.27 0.00 1.31 0.00 0.00 55.95 57.12 3cfi s SER 17 Cb -0.13 -1.04 0.07 0.00 0.21 0.00 0.00 66.02 65.13 3cfi s SER 17 CO 0.51 0.00 0.70 -0.22 0.41 0.00 0.00 173.24 174.65 3cfi s LEU 18 N -3.64 -0.71 -0.29 2.44 2.96 0.24 -5.01 118.68 114.67 3cfi s LEU 18 Ca 0.31 1.14 0.02 0.00 -0.22 0.00 0.00 54.13 55.39 3cfi s LEU 18 Cb -0.07 2.50 0.07 0.00 0.50 0.00 0.00 46.19 49.19 3cfi s LEU 18 CO 0.21 -0.40 -0.04 -0.60 -1.32 0.00 0.00 176.35 174.20 3cfi s ARG 19 N -0.27 2.07 0.35 1.98 3.52 -1.26 0.14 118.95 125.47 3cfi s ARG 19 Ca -0.05 -1.49 -0.25 0.00 -0.13 0.00 0.00 55.73 53.82 3cfi s ARG 19 Cb -0.03 -3.05 -0.10 0.00 -1.56 0.00 0.00 34.95 30.21 3cfi s ARG 19 CO 0.05 -0.69 0.94 -0.51 -0.81 0.00 0.00 175.30 174.28 3cfi s LEU 20 N 1.08 4.24 0.20 -0.88 1.43 -0.72 -4.49 118.68 119.54 3cfi s LEU 20 Ca -0.03 1.80 0.08 0.00 -1.03 0.00 0.00 54.13 54.95 3cfi s LEU 20 Cb -0.20 -4.14 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 3cfi s LEU 20 CO -0.05 -0.14 -0.15 -0.44 0.23 0.00 0.00 176.35 175.80 3cfi s SER 21 N -1.75 2.60 -0.18 2.29 0.01 -0.87 -1.35 113.70 114.45 3cfi s SER 21 Ca 0.53 -0.99 -0.05 0.00 1.31 0.00 0.00 55.95 56.75 3cfi s SER 21 Cb -0.16 -0.14 0.06 0.00 0.21 0.00 0.00 66.02 65.99 3cfi s SER 21 CO 0.21 -0.15 0.11 0.00 0.41 0.00 0.00 173.24 173.82 3cfi s ALA 23 N 2.16 3.19 0.01 0.00 0.00 0.59 -2.05 121.76 125.66 3cfi s ALA 23 Ca 0.03 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.67 3cfi s ALA 23 Cb -0.16 -3.86 -0.06 0.00 0.00 0.00 0.00 23.12 19.04 3cfi s ALA 23 CO -0.10 -2.13 0.38 0.00 0.00 0.00 0.00 175.76 173.92 3cfi s ALA 24 N 4.72 3.72 0.02 0.00 0.00 -0.48 -2.38 121.76 127.36 3cfi s ALA 24 Ca 0.54 -0.29 -0.28 0.00 0.00 0.00 0.00 51.96 51.94 3cfi s ALA 24 Cb -0.12 -2.32 0.08 0.00 0.00 0.00 0.00 23.12 20.76 3cfi s ALA 24 CO 0.29 0.51 0.71 -1.54 0.00 0.00 0.00 175.76 175.73 3cfi s SER 25 N -1.22 -0.56 0.00 0.00 1.04 -0.61 -4.85 113.70 107.50 3cfi s SER 25 Ca 0.25 0.32 0.00 0.00 0.48 0.00 0.00 55.95 57.00 3cfi s SER 25 Cb -0.16 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3cfi s SER 25 CO 0.14 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.25 3cfi n GLY 26 N 0.25 0.75 3.70 7.32 0.00 -1.26 -4.45 105.19 111.50 3cfi n GLY 26 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 3cfi n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cfi s PHE 27 N -2.85 -0.12 -1.08 1.61 -0.71 -1.26 -5.07 117.98 108.49 3cfi s PHE 27 Ca 0.00 -0.27 -0.19 0.00 -1.04 0.00 0.00 56.93 55.42 3cfi s PHE 27 Cb 0.00 0.54 -0.07 0.00 -1.21 0.00 0.00 43.02 42.28 3cfi s PHE 27 CO 0.00 -1.09 2.00 0.00 -1.34 0.00 0.00 175.22 174.79 3cfi n ALA 28 N -0.41 3.81 -0.29 1.99 0.00 -1.26 -4.80 120.51 119.54 3cfi n ALA 28 Ca -0.06 -3.50 0.12 0.00 0.00 0.00 0.00 53.44 50.00 3cfi n ALA 28 Cb 0.61 -3.59 0.27 0.00 0.00 0.00 0.00 19.45 16.74 3cfi n ALA 28 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3cfi h PHE 29 N 7.53 0.33 0.00 0.00 3.57 -1.97 -1.67 116.94 124.73 3cfi h PHE 29 Ca 0.44 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.96 3cfi h PHE 29 Cb 0.72 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 3cfi h PHE 29 CO 1.32 -0.19 -0.15 0.66 -2.23 0.00 0.00 178.31 177.72 3cfi h SER 30 N 0.22 0.00 0.06 0.41 4.64 -1.90 -2.24 113.55 114.74 3cfi h SER 30 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 3cfi h SER 30 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3cfi h SER 30 CO -0.64 0.15 -0.04 0.61 -0.87 0.00 0.00 176.83 176.04 3cfi n GLY 31 N -1.07 -0.38 3.85 -0.77 0.00 -0.63 -4.79 105.19 101.40 3cfi n GLY 31 Ca -0.03 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 3cfi n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cfi s TYR 32 N -2.12 3.41 0.01 1.61 2.02 -0.85 -4.87 117.35 116.56 3cfi s TYR 32 Ca 0.37 0.24 -0.26 0.00 -0.37 0.00 0.00 57.07 57.06 3cfi s TYR 32 Cb 0.21 -1.75 -0.05 0.00 -0.40 0.00 0.00 41.96 39.97 3cfi s TYR 32 CO 0.38 0.59 0.79 0.00 -1.57 0.00 0.00 175.55 175.74 3cfi s ALA 33 N -1.34 3.32 0.29 3.71 0.00 -1.26 -4.18 121.76 122.30 3cfi s ALA 33 Ca 0.28 0.30 0.11 0.00 0.00 0.00 0.00 51.96 52.65 3cfi s ALA 33 Cb -0.12 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 3cfi s ALA 33 CO 0.20 -0.03 -0.13 -1.64 0.00 0.00 0.00 175.76 174.16 3cfi s MET 34 N 0.34 1.86 0.16 0.00 1.00 -0.06 0.03 119.30 122.63 3cfi s MET 34 Ca 0.41 -1.71 -0.09 0.00 0.00 0.00 0.00 55.69 54.30 3cfi s MET 34 Cb -0.20 -1.86 -0.01 0.00 0.00 0.00 0.00 34.83 32.76 3cfi s MET 34 CO 0.23 0.30 0.28 -1.54 0.00 0.00 0.00 175.02 174.30 3cfi s SER 35 N -3.57 0.04 -0.05 3.03 1.04 0.68 0.16 113.70 115.02 3cfi s SER 35 Ca 0.31 -0.86 0.05 0.00 0.48 0.00 0.00 55.95 55.93 3cfi s SER 35 Cb -0.04 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 3cfi s SER 35 CO 0.17 -0.89 -0.18 0.26 0.98 0.00 0.00 173.24 173.58 3cfi s TRP 36 N -3.96 2.59 0.03 5.02 0.52 0.29 -1.69 118.94 121.74 3cfi s TRP 36 Ca 0.17 -0.32 0.04 0.00 0.02 0.00 0.00 56.10 56.00 3cfi s TRP 36 Cb 0.03 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.72 3cfi s TRP 36 CO -0.00 0.06 -0.12 0.08 0.02 0.00 0.00 176.95 176.99 3cfi s VAL 37 N -0.55 0.92 0.12 4.03 1.01 0.53 -1.42 120.40 125.03 3cfi s VAL 37 Ca 0.08 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3cfi s VAL 37 Cb -0.11 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3cfi s VAL 37 CO 0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 175.10 174.96 3cfi s ARG 38 N -1.01 0.99 -0.31 2.72 1.70 -0.22 0.17 118.95 122.99 3cfi s ARG 38 Ca 0.00 -1.25 0.00 0.00 -0.47 0.00 0.00 55.73 54.01 3cfi s ARG 38 Cb -0.07 -0.78 0.10 0.00 -0.57 0.00 0.00 34.95 33.63 3cfi s ARG 38 CO 0.01 0.14 0.08 -1.14 -1.08 0.00 0.00 175.30 173.30 3cfi s GLN 39 N -2.85 0.94 0.54 3.89 0.74 -0.36 -0.36 119.66 122.19 3cfi s GLN 39 Ca 0.09 -1.24 -0.18 0.00 0.05 0.00 0.00 55.36 54.08 3cfi s GLN 39 Cb -0.03 -2.31 -0.06 0.00 1.10 0.00 0.00 33.01 31.70 3cfi s GLN 39 CO 0.02 -0.95 1.04 0.00 -0.55 0.00 0.00 175.29 174.86 3cfi s ALA 40 N 1.44 2.83 0.22 1.58 0.00 -1.26 -1.38 121.76 125.19 3cfi s ALA 40 Ca 0.09 0.47 -0.31 0.00 0.00 0.00 0.00 51.96 52.21 3cfi s ALA 40 Cb -0.18 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 3cfi s ALA 40 CO -0.20 -0.53 1.60 -2.14 0.00 0.00 0.00 175.76 174.49 3cfi s PRO 41 N -3.68 4.17 0.00 0.00 0.02 -1.26 -2.09 135.00 132.16 3cfi s PRO 41 Ca 0.65 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.15 3cfi s PRO 41 Cb -0.16 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3cfi s PRO 41 CO 0.28 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 3cfi n GLY 42 N 3.15 0.64 3.14 0.52 0.00 -1.26 -5.04 105.19 106.34 3cfi n GLY 42 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 3cfi n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cfi s LYS 43 N -0.23 0.74 0.84 1.61 1.02 -0.89 -5.17 119.74 117.66 3cfi s LYS 43 Ca 0.00 -1.23 -0.14 0.00 0.02 0.00 0.00 55.97 54.62 3cfi s LYS 43 Cb 0.00 -0.13 0.20 0.00 -0.52 0.00 0.00 37.83 37.38 3cfi s LYS 43 CO 0.00 -0.03 0.97 0.41 -0.92 0.00 0.00 175.35 175.78 3cfi n GLY 44 N 0.19 -1.91 3.74 -3.33 0.00 -1.26 -4.52 105.19 98.11 3cfi n GLY 44 Ca -0.14 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 3cfi n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfi s LEU 45 N 0.00 4.41 -0.02 0.99 1.43 -1.26 -4.46 118.68 119.77 3cfi s LEU 45 Ca 0.58 2.53 0.01 0.00 -1.03 0.00 0.00 54.13 56.22 3cfi s LEU 45 Cb -0.03 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.58 3cfi s LEU 45 CO 0.42 -0.59 -0.04 -1.61 0.23 0.00 0.00 176.35 174.76 3cfi s GLU 46 N -0.39 0.51 0.13 1.70 2.02 0.51 -5.00 118.70 118.19 3cfi s GLU 46 Ca 0.57 -0.13 -0.31 0.00 0.02 0.00 0.00 54.97 55.12 3cfi s GLU 46 Cb -0.39 -0.53 -0.08 0.00 0.10 0.00 0.00 34.13 33.24 3cfi s GLU 46 CO 0.41 0.03 1.29 -0.46 0.02 0.00 0.00 175.26 176.56 3cfi s TRP 47 N 0.28 3.32 -0.12 1.61 -0.00 -1.26 -1.06 118.94 121.72 3cfi s TRP 47 Ca -0.03 1.18 -0.14 0.00 -0.00 0.00 0.00 56.10 57.11 3cfi s TRP 47 Cb -0.07 -3.56 -0.05 0.00 -0.00 0.00 0.00 33.47 29.80 3cfi s TRP 47 CO -0.00 -1.81 -0.26 0.28 -0.00 0.00 0.00 176.95 175.16 3cfi n VAL 48 N 3.39 1.30 -3.93 5.86 0.31 -0.51 -4.82 118.33 119.93 3cfi n VAL 48 Ca 0.08 0.21 -0.09 0.00 -0.01 0.00 0.00 64.34 64.53 3cfi n VAL 48 Cb 0.44 -2.14 -0.06 0.00 -0.91 0.00 0.00 33.84 31.17 3cfi n VAL 48 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3cfi s SER 49 N -5.73 -0.07 -0.10 4.52 1.04 -0.99 -2.04 113.70 110.34 3cfi s SER 49 Ca -0.22 -0.81 -0.18 0.00 0.48 0.00 0.00 55.95 55.23 3cfi s SER 49 Cb 0.03 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.71 3cfi s SER 49 CO 0.32 -1.01 0.44 -0.83 0.98 0.00 0.00 173.24 173.13 3cfi s GLY 50 N -2.97 -0.31 -0.07 7.32 0.00 -0.49 -0.55 107.32 110.26 3cfi s GLY 50 Ca 0.18 0.94 0.02 0.00 0.00 0.00 0.00 44.72 45.86 3cfi s GLY 50 CO 0.03 0.73 -0.13 -1.50 0.00 0.00 0.00 173.10 172.22 3cfi s ILE 51 N -0.54 1.20 0.88 0.90 2.07 0.12 -0.85 121.20 124.99 3cfi s ILE 51 Ca -0.07 -0.52 -0.12 0.00 -1.41 0.00 0.00 60.65 58.53 3cfi s ILE 51 Cb -0.03 -1.09 0.12 0.00 0.13 0.00 0.00 42.46 41.59 3cfi s ILE 51 CO 0.03 0.37 1.15 0.20 -1.91 0.00 0.00 174.94 174.78 3cfi s ASN 52 N 0.60 3.80 0.34 4.50 -0.87 0.10 -0.88 114.94 122.53 3cfi s ASN 52 Ca -0.14 0.90 0.06 0.00 -1.57 0.00 0.00 52.86 52.11 3cfi s ASN 52 Cb -0.16 -1.45 0.62 0.00 -0.02 0.00 0.00 41.25 40.25 3cfi s ASN 52 CO 0.04 -2.36 1.86 0.08 -2.57 0.00 0.00 177.10 174.14 3cfi h ARG 53 N -1.37 0.41 0.00 -0.60 0.11 -1.87 -2.86 114.38 108.21 3cfi h ARG 53 Ca -0.49 -0.10 -0.02 0.00 0.10 0.00 0.00 59.98 59.46 3cfi h ARG 53 Cb 1.33 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 32.36 3cfi h ARG 53 CO 0.63 0.52 -0.11 0.38 0.10 0.00 0.00 179.97 181.49 3cfi h ASP 54 N 0.39 0.00 0.00 0.08 3.04 -1.93 -3.48 116.42 114.52 3cfi h ASP 54 Ca 0.08 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.87 3cfi h ASP 54 Cb 0.41 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.70 3cfi h ASP 54 CO 0.02 0.11 0.00 0.61 -2.04 0.00 0.00 179.24 177.94 3cfi n GLY 55 N 0.99 1.55 3.77 7.15 0.00 -1.08 -5.11 105.19 112.46 3cfi n GLY 55 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3cfi n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cfi s SER 56 N -1.71 6.16 0.33 1.61 0.01 -1.26 -4.68 113.70 114.16 3cfi s SER 56 Ca 0.00 2.90 0.10 0.00 1.31 0.00 0.00 55.95 60.25 3cfi s SER 56 Cb 0.00 -2.66 -0.06 0.00 0.21 0.00 0.00 66.02 63.51 3cfi s SER 56 CO 0.00 -0.98 -0.11 0.42 0.41 0.00 0.00 173.24 172.98 3cfi s THR 57 N -1.18 2.30 -0.09 1.44 -4.23 -1.26 0.00 115.64 112.62 3cfi s THR 57 Ca 0.57 -2.22 -0.13 0.00 -1.18 0.00 0.00 61.69 58.72 3cfi s THR 57 Cb -0.43 -2.61 0.03 0.00 1.34 0.00 0.00 72.50 70.83 3cfi s THR 57 CO 0.57 -0.23 0.33 -0.44 -0.54 0.00 0.00 174.62 174.31 3cfi s SER 58 N -3.60 -0.30 0.02 3.99 0.01 -0.03 -4.99 113.70 108.80 3cfi s SER 58 Ca 0.32 0.48 0.01 0.00 1.31 0.00 0.00 55.95 58.08 3cfi s SER 58 Cb 0.01 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.79 3cfi s SER 58 CO 0.16 -0.24 -0.05 -0.31 0.41 0.00 0.00 173.24 173.22 3cfi s TYR 59 N -0.35 0.42 0.49 2.43 2.02 -1.26 -1.39 117.35 119.70 3cfi s TYR 59 Ca -0.05 -0.41 -0.20 0.00 -0.37 0.00 0.00 57.07 56.04 3cfi s TYR 59 Cb -0.03 -0.26 -0.08 0.00 -0.40 0.00 0.00 41.96 41.18 3cfi s TYR 59 CO 0.02 -0.11 1.05 0.99 -1.57 0.00 0.00 175.55 175.93 3cfi s THR 60 N -1.12 3.71 0.22 -0.71 2.01 -0.86 -4.88 115.64 114.01 3cfi s THR 60 Ca -0.10 1.08 -0.08 0.00 0.31 0.00 0.00 61.69 62.90 3cfi s THR 60 Cb -0.08 -3.44 0.18 0.00 0.01 0.00 0.00 72.50 69.17 3cfi s THR 60 CO -0.00 -0.22 1.71 0.00 -0.69 0.00 0.00 174.62 175.42 3cfi h ALA 61 N 1.56 0.82 0.00 7.40 0.00 -1.97 -1.79 119.26 125.29 3cfi h ALA 61 Ca -0.50 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3cfi h ALA 61 Cb 1.22 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 3cfi h ALA 61 CO 0.59 -0.28 -0.09 -1.35 0.00 0.00 0.00 179.25 178.12 3cfi h PRO 62 N 0.31 0.00 -0.01 0.00 0.11 -1.98 -3.01 132.00 127.42 3cfi h PRO 62 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3cfi h PRO 62 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3cfi h PRO 62 CO -0.41 0.09 -0.16 1.33 -0.21 0.00 0.00 178.00 178.64 3cfi n VAL 63 N -3.28 0.00 -2.27 3.15 0.24 -0.96 -4.99 118.33 110.23 3cfi n VAL 63 Ca -0.00 -0.42 -0.38 0.00 -2.04 0.00 0.00 64.34 61.49 3cfi n VAL 63 Cb 0.31 1.22 -0.02 0.00 -1.47 0.00 0.00 33.84 33.88 3cfi n VAL 63 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3cfi s LYS 64 N -1.46 4.02 0.00 7.34 2.20 -0.71 -1.29 119.74 129.83 3cfi s LYS 64 Ca 0.14 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.60 3cfi s LYS 64 Cb 0.11 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 3cfi s LYS 64 CO 0.27 -0.35 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 3cfi n GLY 65 N 0.62 2.97 0.26 5.54 0.00 -1.26 -4.70 105.19 108.61 3cfi n GLY 65 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 3cfi n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cfi n ARG 66 N -2.00 0.30 -3.46 1.61 1.74 -1.13 -5.01 116.66 108.71 3cfi n ARG 66 Ca 0.00 0.09 -0.32 0.00 -0.77 0.00 0.00 57.85 56.85 3cfi n ARG 66 Cb 0.00 -1.15 -0.05 0.00 -1.02 0.00 0.00 32.46 30.24 3cfi n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3cfi s PHE 67 N -2.25 3.44 -0.05 -1.55 0.08 -0.41 -2.33 117.98 114.92 3cfi s PHE 67 Ca -0.17 0.83 -0.02 0.00 0.12 0.00 0.00 56.93 57.68 3cfi s PHE 67 Cb 0.05 -2.22 0.03 0.00 -0.57 0.00 0.00 43.02 40.32 3cfi s PHE 67 CO 0.27 0.30 0.05 0.99 -0.10 0.00 0.00 175.22 176.74 3cfi s THR 68 N -1.78 -0.05 -0.04 0.64 2.01 -0.17 -4.86 115.64 111.40 3cfi s THR 68 Ca 0.46 0.37 -0.13 0.00 0.31 0.00 0.00 61.69 62.71 3cfi s THR 68 Cb -0.11 -0.21 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 3cfi s THR 68 CO 0.22 0.17 0.33 -0.51 -0.69 0.00 0.00 174.62 174.14 3cfi s ILE 69 N 2.15 5.17 0.24 1.82 -1.16 -1.26 -0.68 121.20 127.47 3cfi s ILE 69 Ca 0.05 0.66 -0.14 0.00 -0.51 0.00 0.00 60.65 60.71 3cfi s ILE 69 Cb -0.12 -3.62 0.00 0.00 0.61 0.00 0.00 42.46 39.33 3cfi s ILE 69 CO -0.03 0.58 0.49 -0.94 -2.81 0.00 0.00 174.94 172.23 3cfi s SER 70 N -1.01 -0.12 -0.04 4.50 1.04 -1.02 -5.01 113.70 112.04 3cfi s SER 70 Ca 0.21 -0.83 -0.05 0.00 0.48 0.00 0.00 55.95 55.75 3cfi s SER 70 Cb -0.15 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.57 3cfi s SER 70 CO 0.10 -1.13 0.14 -0.60 0.98 0.00 0.00 173.24 172.74 3cfi s ARG 71 N -3.99 0.23 -0.34 4.02 3.52 -1.26 -0.26 118.95 120.88 3cfi s ARG 71 Ca 0.19 0.08 0.02 0.00 -0.13 0.00 0.00 55.73 55.89 3cfi s ARG 71 Cb -0.01 0.11 0.09 0.00 -1.56 0.00 0.00 34.95 33.58 3cfi s ARG 71 CO 0.07 -0.04 0.05 0.34 -0.81 0.00 0.00 175.30 174.91 3cfi s ASP 72 N -0.22 4.83 0.39 -2.12 -1.08 0.50 -4.99 116.67 113.99 3cfi s ASP 72 Ca -0.03 -1.89 0.28 0.00 -0.52 0.00 0.00 52.55 50.39 3cfi s ASP 72 Cb -0.02 -1.67 0.97 0.00 -1.46 0.00 0.00 42.92 40.74 3cfi s ASP 72 CO 0.00 -0.37 1.80 0.78 0.52 0.00 0.00 175.17 177.91 3cfi h ASN 73 N 7.78 0.00 0.12 -0.34 2.35 -1.97 -0.55 115.58 122.97 3cfi h ASN 73 Ca -0.11 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3cfi h ASN 73 Cb 1.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.41 3cfi h ASN 73 CO 0.55 0.00 -0.06 0.00 -1.65 0.00 0.00 177.43 176.27 3cfi h ALA 74 N 2.16 -0.16 -0.02 -0.83 0.00 -1.96 -3.31 119.26 115.15 3cfi h ALA 74 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3cfi h ALA 74 Cb 0.60 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3cfi h ALA 74 CO 0.00 -0.39 -0.18 1.17 0.00 0.00 0.00 179.25 179.85 3cfi n LYS 75 N -4.98 1.55 -3.46 0.00 3.00 -1.20 -4.99 118.16 108.08 3cfi n LYS 75 Ca -0.09 -1.14 -0.22 0.00 -0.00 0.00 0.00 58.31 56.86 3cfi n LYS 75 Cb 0.23 -1.48 0.05 0.00 0.00 0.00 0.00 35.03 33.83 3cfi n LYS 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3cfi n ASN 76 N 0.27 -6.06 -3.97 3.14 4.13 -0.29 -4.79 115.26 107.69 3cfi n ASN 76 Ca 0.14 -0.82 -0.21 0.00 1.68 0.00 0.00 54.58 55.36 3cfi n ASN 76 Cb 0.45 -4.22 -0.16 0.00 -1.54 0.00 0.00 39.78 34.31 3cfi n ASN 76 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3cfi s ILE 77 N -3.38 0.79 -0.15 2.41 1.01 -0.76 -1.38 121.20 119.74 3cfi s ILE 77 Ca 0.42 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.69 3cfi s ILE 77 Cb -0.11 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 3cfi s ILE 77 CO 0.80 0.27 0.10 -0.22 0.00 0.00 0.00 174.94 175.89 3cfi s LEU 78 N 0.54 4.09 0.23 2.97 2.96 -0.87 -0.37 118.68 128.23 3cfi s LEU 78 Ca -0.09 0.28 0.10 0.00 -0.22 0.00 0.00 54.13 54.20 3cfi s LEU 78 Cb -0.12 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3cfi s LEU 78 CO 0.01 0.30 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.91 3cfi s TYR 79 N -0.40 2.51 -0.30 5.38 2.02 0.64 -0.62 117.35 126.59 3cfi s TYR 79 Ca 0.10 -0.27 -0.03 0.00 -0.37 0.00 0.00 57.07 56.50 3cfi s TYR 79 Cb -0.12 -1.17 0.10 0.00 -0.40 0.00 0.00 41.96 40.37 3cfi s TYR 79 CO 0.02 0.58 0.14 -1.17 -1.57 0.00 0.00 175.55 173.55 3cfi s LEU 80 N -3.15 0.66 -0.49 -1.29 2.96 -0.45 -2.44 118.68 114.48 3cfi s LEU 80 Ca 0.27 -1.40 -0.29 0.00 -0.22 0.00 0.00 54.13 52.49 3cfi s LEU 80 Cb -0.07 -0.38 0.03 0.00 0.50 0.00 0.00 46.19 46.27 3cfi s LEU 80 CO 0.15 -0.43 1.19 -1.58 -1.32 0.00 0.00 176.35 174.37 3cfi s GLN 81 N 1.97 3.65 -0.26 1.98 2.00 0.14 -1.75 119.66 127.39 3cfi s GLN 81 Ca 0.10 0.54 -0.10 0.00 -2.00 0.00 0.00 55.36 53.91 3cfi s GLN 81 Cb -0.17 -3.95 -0.04 0.00 0.80 0.00 0.00 33.01 29.65 3cfi s GLN 81 CO -0.32 -1.48 0.14 -1.64 -0.50 0.00 0.00 175.29 171.49 3cfi s MET 82 N 4.64 3.86 0.23 1.67 -1.94 0.12 -1.00 119.30 126.89 3cfi s MET 82 Ca 0.49 -0.37 0.11 0.00 -1.71 0.00 0.00 55.69 54.21 3cfi s MET 82 Cb -0.08 -3.53 -0.05 0.00 2.01 0.00 0.00 34.83 33.19 3cfi s MET 82 CO 0.31 -0.15 -0.20 -0.80 -0.01 0.00 0.00 175.02 174.16 3cfi s ASN 83 N 1.61 3.34 -1.37 3.03 0.01 -0.98 -0.59 114.94 119.99 3cfi s ASN 83 Ca 0.07 -0.96 -0.01 0.00 -0.71 0.00 0.00 52.86 51.25 3cfi s ASN 83 Cb -0.15 -0.25 0.01 0.00 0.41 0.00 0.00 41.25 41.26 3cfi s ASN 83 CO 0.08 0.04 0.59 -1.20 -1.51 0.00 0.00 177.10 175.10 3cfi n SER 84 N -0.22 -1.01 -4.66 -1.22 7.64 -1.23 -4.64 113.62 108.28 3cfi n SER 84 Ca -0.08 -0.90 -0.42 0.00 1.01 0.00 0.00 58.87 58.47 3cfi n SER 84 Cb 0.58 -3.60 -0.03 0.00 -1.01 0.00 0.00 64.21 60.16 3cfi n SER 84 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3cfi s LEU 85 N -6.84 4.31 0.39 -3.43 1.43 -0.86 -4.66 118.68 109.03 3cfi s LEU 85 Ca 0.05 2.24 -0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3cfi s LEU 85 Cb -0.03 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 3cfi s LEU 85 CO 0.85 -0.95 0.61 -0.13 0.23 0.00 0.00 176.35 176.96 3cfi s ARG 86 N 4.09 3.37 0.47 1.70 0.52 -1.26 -0.40 118.95 127.44 3cfi s ARG 86 Ca 0.74 -0.32 0.15 0.00 -0.52 0.00 0.00 55.73 55.78 3cfi s ARG 86 Cb -0.34 -2.60 1.12 0.00 0.52 0.00 0.00 34.95 33.65 3cfi s ARG 86 CO 0.30 -0.01 2.05 -1.35 0.02 0.00 0.00 175.30 176.31 3cfi h PRO 87 N 0.59 0.25 0.00 3.54 0.11 -1.94 -2.04 132.00 132.51 3cfi h PRO 87 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3cfi h PRO 87 Cb 1.23 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3cfi h PRO 87 CO 0.60 0.17 -0.02 0.93 -0.21 0.00 0.00 178.00 179.47 3cfi h GLU 88 N 0.26 0.00 0.00 1.05 3.07 -1.95 -1.98 114.58 115.03 3cfi h GLU 88 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3cfi h GLU 88 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3cfi h GLU 88 CO -0.03 0.02 0.00 -0.25 -1.40 0.00 0.00 179.01 177.35 3cfi n ASP 89 N -3.21 0.43 -4.57 1.42 8.00 -0.77 -4.81 116.55 113.04 3cfi n ASP 89 Ca -0.02 0.56 -0.46 0.00 0.71 0.00 0.00 54.79 55.58 3cfi n ASP 89 Cb 0.17 -0.67 -0.05 0.00 -0.02 0.00 0.00 41.12 40.55 3cfi n ASP 89 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3cfi n THR 90 N -1.92 0.37 -3.77 -3.53 -1.04 -0.75 -4.87 114.28 98.77 3cfi n THR 90 Ca 0.05 -0.31 -0.04 0.00 -2.04 0.00 0.00 64.05 61.71 3cfi n THR 90 Cb 0.33 -2.14 -0.01 0.00 -1.82 0.00 0.00 70.33 66.69 3cfi n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cfi s ALA 91 N 6.96 -1.60 -0.44 2.41 0.00 -0.40 -4.21 121.76 124.48 3cfi s ALA 91 Ca 1.01 0.04 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 3cfi s ALA 91 Cb -0.57 0.66 0.02 0.00 0.00 0.00 0.00 23.12 23.24 3cfi s ALA 91 CO 0.43 -1.05 0.74 0.08 0.00 0.00 0.00 175.76 175.96 3cfi s VAL 92 N -3.25 4.71 -0.26 0.00 1.01 -0.48 -1.96 120.40 120.17 3cfi s VAL 92 Ca 0.13 0.37 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 3cfi s VAL 92 Cb -0.02 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 3cfi s VAL 92 CO 0.03 -0.65 0.58 -0.31 0.00 0.00 0.00 175.10 174.75 3cfi s TYR 93 N 3.12 3.27 0.06 5.22 1.51 -0.41 -1.23 117.35 128.90 3cfi s TYR 93 Ca 0.28 0.71 0.03 0.00 -1.01 0.00 0.00 57.07 57.08 3cfi s TYR 93 Cb -0.13 -2.81 -0.04 0.00 -0.11 0.00 0.00 41.96 38.88 3cfi s TYR 93 CO 0.21 -0.33 0.05 0.71 -1.11 0.00 0.00 175.55 175.08 3cfi s TYR 94 N 2.43 3.13 -0.17 2.71 1.51 0.46 -1.75 117.35 125.67 3cfi s TYR 94 Ca 0.24 0.06 -0.04 0.00 -1.01 0.00 0.00 57.07 56.32 3cfi s TYR 94 Cb -0.15 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 3cfi s TYR 94 CO 0.09 0.50 -0.03 0.00 -1.11 0.00 0.00 175.55 175.01 3cfi s ALA 96 N 0.48 -0.03 0.47 0.00 0.00 -0.68 -0.55 121.76 121.45 3cfi s ALA 96 Ca -0.03 -0.79 -0.20 0.00 0.00 0.00 0.00 51.96 50.94 3cfi s ALA 96 Cb -0.14 0.56 -0.09 0.00 0.00 0.00 0.00 23.12 23.44 3cfi s ALA 96 CO 0.03 -0.52 1.02 0.15 0.00 0.00 0.00 175.76 176.43 3cfi s LYS 97 N -3.90 3.90 -0.07 0.00 1.02 -0.57 -0.23 119.74 119.88 3cfi s LYS 97 Ca 0.09 1.31 0.04 0.00 0.02 0.00 0.00 55.97 57.42 3cfi s LYS 97 Cb 0.05 -2.11 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 3cfi s LYS 97 CO -0.08 -0.34 -0.18 -0.46 -0.92 0.00 0.00 175.35 173.37 3cfi s TRP 98 N -2.03 2.62 -2.94 3.18 -0.00 0.10 -1.46 118.94 118.41 3cfi s TRP 98 Ca 0.66 -0.49 0.24 0.00 -0.00 0.00 0.00 56.10 56.51 3cfi s TRP 98 Cb -0.15 -1.66 0.28 0.00 -0.00 0.00 0.00 33.47 31.94 3cfi s TRP 98 CO 0.18 -0.07 1.31 1.28 -0.00 0.00 0.00 176.95 179.66 3cfi n LEU 99 N 2.84 2.86 0.00 5.86 4.77 -0.51 -4.48 117.00 128.34 3cfi n LEU 99 Ca -0.17 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 3cfi n LEU 99 Cb 0.52 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3cfi n LEU 99 CO 0.27 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3cfi n GLY 100 N 1.34 -0.64 7.00 -0.72 0.00 -1.26 -4.96 105.19 105.95 3cfi n GLY 100 Ca 0.15 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3cfi n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfi n GLY 101 N -0.65 3.28 0.59 -0.02 0.00 -1.26 -2.91 105.19 104.22 3cfi n GLY 101 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.94 3cfi n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cfi n ARG 102 N 13.63 0.94 -4.49 1.61 1.74 -1.26 -5.01 116.66 123.82 3cfi n ARG 102 Ca 0.00 -2.47 -0.34 0.00 -0.77 0.00 0.00 57.85 54.26 3cfi n ARG 102 Cb 0.00 -1.10 -0.10 0.00 -1.02 0.00 0.00 32.46 30.24 3cfi n ARG 102 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3cfi s ASP 103 N -2.54 4.96 0.37 0.55 1.01 -1.15 -4.63 116.67 115.24 3cfi s ASP 103 Ca 0.29 0.06 0.03 0.00 0.71 0.00 0.00 52.55 53.65 3cfi s ASP 103 Cb 0.29 -1.33 -0.04 0.00 1.01 0.00 0.00 42.92 42.85 3cfi s ASP 103 CO -0.05 0.37 0.10 -1.66 0.21 0.00 0.00 175.17 174.14 3cfi s TRP 104 N -0.86 1.83 0.15 4.23 -2.14 -1.26 -1.42 118.94 119.46 3cfi s TRP 104 Ca 0.13 -1.16 -0.25 0.00 2.66 0.00 0.00 56.10 57.48 3cfi s TRP 104 Cb -0.11 -1.19 0.06 0.00 -3.10 0.00 0.00 33.47 29.13 3cfi s TRP 104 CO 0.02 -0.19 0.87 1.52 -2.66 0.00 0.00 176.95 176.52 3cfi s TYR 105 N -3.27 -0.22 -1.25 1.66 -0.85 -0.54 -4.89 117.35 107.99 3cfi s TYR 105 Ca 0.29 -0.08 -0.11 0.00 -0.52 0.00 0.00 57.07 56.65 3cfi s TYR 105 Cb 0.05 0.63 -0.01 0.00 0.38 0.00 0.00 41.96 43.01 3cfi s TYR 105 CO 0.14 -0.85 0.66 -0.25 -1.52 0.00 0.00 175.55 173.74 3cfi n ASP 106 N -0.42 -3.14 -4.77 -0.18 8.00 -1.26 -1.52 116.55 113.27 3cfi n ASP 106 Ca -0.07 -0.98 -0.40 0.00 0.71 0.00 0.00 54.79 54.04 3cfi n ASP 106 Cb 0.61 -3.39 -0.03 0.00 -0.02 0.00 0.00 41.12 38.29 3cfi n ASP 106 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3cfi s ARG 107 N -6.15 4.43 0.92 -1.24 3.52 -1.26 -4.17 118.95 115.00 3cfi s ARG 107 Ca 0.26 2.02 -0.16 0.00 -0.13 0.00 0.00 55.73 57.73 3cfi s ARG 107 Cb -0.09 -3.07 0.22 0.00 -1.56 0.00 0.00 34.95 30.44 3cfi s ARG 107 CO 0.86 -0.05 1.07 0.41 -0.81 0.00 0.00 175.30 176.78 3cfi n GLY 108 N 0.93 -1.91 0.17 8.12 0.00 0.29 -4.98 105.19 107.81 3cfi n GLY 108 Ca 0.00 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.23 3cfi n GLY 108 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3cfi h GLN 109 N 0.00 0.54 0.00 1.61 1.08 -1.88 -3.44 115.11 113.02 3cfi h GLN 109 Ca -0.36 -0.59 0.00 0.00 -1.45 0.00 0.00 58.65 56.24 3cfi h GLN 109 Cb 1.04 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 3cfi h GLN 109 CO 0.25 1.22 0.00 0.41 -0.95 0.00 0.00 178.83 179.76 3cfi n GLY 110 N 1.04 1.99 3.01 3.46 0.00 -1.26 -4.97 105.19 108.46 3cfi n GLY 110 Ca -0.09 -1.98 -0.16 0.00 0.00 0.00 0.00 46.02 43.79 3cfi n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cfi s THR 111 N -2.47 0.58 -0.22 2.61 -4.23 -0.72 -4.77 115.64 106.42 3cfi s THR 111 Ca 0.00 -0.54 -0.25 0.00 -1.18 0.00 0.00 61.69 59.72 3cfi s THR 111 Cb 0.00 -0.53 -0.00 0.00 1.34 0.00 0.00 72.50 73.31 3cfi s THR 111 CO 0.00 0.01 0.86 -1.58 -0.54 0.00 0.00 174.62 173.37 3cfi s GLN 112 N -0.58 4.22 -0.18 3.99 2.00 -1.26 -1.28 119.66 126.56 3cfi s GLN 112 Ca -0.01 1.02 -0.02 0.00 -2.00 0.00 0.00 55.36 54.36 3cfi s GLN 112 Cb -0.05 -3.63 -0.01 0.00 0.80 0.00 0.00 33.01 30.13 3cfi s GLN 112 CO 0.00 -0.49 -0.09 0.08 -0.50 0.00 0.00 175.29 174.28 3cfi s VAL 113 N 2.75 3.09 -0.04 1.34 1.01 -0.83 -0.55 120.40 127.17 3cfi s VAL 113 Ca 0.37 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 3cfi s VAL 113 Cb -0.15 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.90 3cfi s VAL 113 CO 0.08 0.47 0.06 0.28 0.00 0.00 0.00 175.10 175.99 3cfi s THR 114 N 1.06 -0.10 -0.21 3.92 -1.32 -0.99 -1.28 115.64 116.72 3cfi s THR 114 Ca 0.00 0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 3cfi s THR 114 Cb -0.15 -0.14 0.03 0.00 -1.51 0.00 0.00 72.50 70.73 3cfi s THR 114 CO -0.02 0.16 -0.15 0.54 -2.21 0.00 0.00 174.62 172.94 3cfi s VAL 115 N 1.92 2.33 -2.00 5.08 0.11 -1.26 -2.82 120.40 123.75 3cfi s VAL 115 Ca 0.02 -1.04 0.05 0.00 -2.93 0.00 0.00 61.98 58.08 3cfi s VAL 115 Cb -0.12 -2.09 0.16 0.00 -1.53 0.00 0.00 36.38 32.79 3cfi s VAL 115 CO -0.03 0.37 0.80 -1.54 -3.33 0.00 0.00 175.10 171.37