#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c2t n SER 2 N 0.00 0.00 -0.91 7.83 3.41 -1.26 -4.88 113.62 117.82 3c2t n SER 2 Ca 0.00 0.46 0.09 0.00 -0.26 0.00 0.00 58.87 59.16 3c2t n SER 2 Cb 0.00 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 3c2t n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3c2t n SER 3 N -1.20 -3.96 -4.03 4.04 7.64 -1.26 -4.45 113.62 110.39 3c2t n SER 3 Ca 0.00 0.45 -0.32 0.00 1.01 0.00 0.00 58.87 60.01 3c2t n SER 3 Cb 0.00 -2.89 -0.14 0.00 -1.01 0.00 0.00 64.21 60.17 3c2t n SER 3 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3c2t s LEU 4 N -4.79 4.82 -0.58 -3.43 2.96 -1.26 -3.60 118.68 112.81 3c2t s LEU 4 Ca 0.00 -2.22 -0.28 0.00 -0.22 0.00 0.00 54.13 51.42 3c2t s LEU 4 Cb 0.00 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 45.04 3c2t s LEU 4 CO 0.00 -0.40 1.34 -0.22 -1.32 0.00 0.00 176.35 175.76 3c2t s LEU 5 N 0.83 3.40 -0.46 -0.68 2.96 -1.18 -4.94 118.68 118.62 3c2t s LEU 5 Ca 0.11 0.20 -0.12 0.00 -0.22 0.00 0.00 54.13 54.09 3c2t s LEU 5 Cb -0.20 -3.06 0.09 0.00 0.50 0.00 0.00 46.19 43.51 3c2t s LEU 5 CO -0.07 -1.65 0.35 -0.69 -1.32 0.00 0.00 176.35 172.97 3c2t s VAL 6 N 5.72 4.71 -0.81 1.68 1.01 -1.26 -2.03 120.40 129.41 3c2t s VAL 6 Ca 0.49 -1.34 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 3c2t s VAL 6 Cb -0.10 -3.90 0.16 0.00 0.00 0.00 0.00 36.38 32.54 3c2t s VAL 6 CO 0.25 -0.61 0.89 -0.75 0.00 0.00 0.00 175.10 174.87 3c2t s LYS 7 N 1.52 3.47 0.25 2.72 2.20 0.22 -4.94 119.74 125.17 3c2t s LYS 7 Ca 0.04 -1.92 -0.30 0.00 -0.36 0.00 0.00 55.97 53.43 3c2t s LYS 7 Cb -0.25 -4.58 -0.14 0.00 -1.51 0.00 0.00 37.83 31.35 3c2t s LYS 7 CO 0.03 -1.54 1.10 1.63 -0.36 0.00 0.00 175.35 176.21 3c2t n LYS 8 N 5.52 1.35 -0.00 4.03 5.02 -1.26 -2.70 118.16 130.12 3c2t n LYS 8 Ca 0.12 0.48 0.04 0.00 -2.02 0.00 0.00 58.31 56.93 3c2t n LYS 8 Cb 0.47 -1.91 -0.04 0.00 -0.02 0.00 0.00 35.03 33.52 3c2t n LYS 8 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3c2t n LEU 9 N 1.57 0.35 -3.82 -0.35 4.77 0.52 -4.92 117.00 115.12 3c2t n LEU 9 Ca 0.12 -0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 55.50 3c2t n LEU 9 Cb 0.29 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.29 3c2t n LEU 9 CO 0.61 0.09 -0.08 0.68 -1.33 0.00 0.00 177.39 177.35 3c2t s VAL 10 N -1.77 0.08 0.22 4.08 -7.23 -1.21 -5.01 120.40 109.55 3c2t s VAL 10 Ca 0.03 -0.62 -0.13 0.00 -1.81 0.00 0.00 61.98 59.45 3c2t s VAL 10 Cb 0.06 -0.56 0.24 0.00 0.56 0.00 0.00 36.38 36.68 3c2t s VAL 10 CO 0.32 -0.34 1.63 1.05 -0.31 0.00 0.00 175.10 177.44 3c2t h GLU 11 N 4.00 0.02 0.46 4.82 -0.00 -1.95 -3.01 114.58 118.91 3c2t h GLU 11 Ca -0.30 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.04 3c2t h GLU 11 Cb 1.19 -0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.92 3c2t h GLU 11 CO 0.41 0.01 -0.38 0.66 -0.00 0.00 0.00 179.01 179.71 3c2t h SER 12 N 0.02 -1.01 -0.02 3.06 4.64 -1.97 -3.46 113.55 114.82 3c2t h SER 12 Ca 0.32 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.70 3c2t h SER 12 Cb 0.50 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3c2t h SER 12 CO -0.65 -0.55 0.01 0.00 -0.87 0.00 0.00 176.83 174.76 3c2t n ALA 13 N -2.66 -0.37 -1.95 5.18 0.00 -1.14 -4.94 120.51 114.64 3c2t n ALA 13 Ca -0.11 0.01 -0.25 0.00 0.00 0.00 0.00 53.44 53.09 3c2t n ALA 13 Cb 0.39 -0.03 0.07 0.00 0.00 0.00 0.00 19.45 19.88 3c2t n ALA 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3c2t s THR 14 N 0.02 2.33 -0.27 0.00 2.01 -1.26 -4.98 115.64 113.47 3c2t s THR 14 Ca 0.02 -0.38 -0.05 0.00 0.31 0.00 0.00 61.69 61.58 3c2t s THR 14 Cb -0.02 -2.95 0.01 0.00 0.01 0.00 0.00 72.50 69.55 3c2t s THR 14 CO 0.01 0.00 0.04 0.28 -0.69 0.00 0.00 174.62 174.26 3c2t s THR 15 N -3.17 3.68 -0.76 -0.82 -1.32 -1.26 -4.88 115.64 107.11 3c2t s THR 15 Ca 0.61 -0.72 -0.27 0.00 -1.21 0.00 0.00 61.69 60.10 3c2t s THR 15 Cb -0.10 -2.86 -0.18 0.00 -1.51 0.00 0.00 72.50 67.85 3c2t s THR 15 CO 0.44 0.15 2.16 -2.65 -2.21 0.00 0.00 174.62 172.51 3c2t n PRO 16 N 4.82 0.00 -4.31 7.08 -0.02 -1.26 -4.92 135.00 136.39 3c2t n PRO 16 Ca -0.15 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.09 3c2t n PRO 16 Cb 0.48 -1.24 -0.12 0.00 -0.02 0.00 0.00 33.50 32.60 3c2t n PRO 16 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3c2t s MET 17 N 7.06 1.20 -0.54 -0.52 1.75 -1.23 -4.83 119.30 122.18 3c2t s MET 17 Ca 1.10 -1.27 -0.18 0.00 -1.25 0.00 0.00 55.69 54.10 3c2t s MET 17 Cb -1.07 -1.40 0.09 0.00 2.84 0.00 0.00 34.83 35.29 3c2t s MET 17 CO 0.43 0.31 0.60 1.03 -0.65 0.00 0.00 175.02 176.74 3c2t s ARG 18 N -2.25 3.04 0.00 4.11 0.52 -1.26 -0.63 118.95 122.49 3c2t s ARG 18 Ca 0.10 -1.29 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 3c2t s ARG 18 Cb -0.08 -4.21 0.00 0.00 0.52 0.00 0.00 34.95 31.18 3c2t s ARG 18 CO 0.05 -1.34 0.13 0.41 0.02 0.00 0.00 175.30 174.57 3c2t n GLY 19 N 5.24 0.00 3.21 -3.53 0.00 -1.26 -4.61 105.19 104.23 3c2t n GLY 19 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 3c2t n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3c2t s SER 20 N -1.83 0.06 0.03 1.61 0.15 -1.26 -5.04 113.70 107.43 3c2t s SER 20 Ca 0.00 -0.53 -0.22 0.00 0.70 0.00 0.00 55.95 55.90 3c2t s SER 20 Cb 0.00 0.34 -0.15 0.00 -1.71 0.00 0.00 66.02 64.50 3c2t s SER 20 CO 0.00 -0.69 1.39 -0.08 1.20 0.00 0.00 173.24 175.06 3c2t h GLU 21 N 2.92 0.21 -0.57 5.44 4.57 -2.04 -3.15 114.58 121.96 3c2t h GLU 21 Ca -0.33 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3c2t h GLU 21 Cb 1.20 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3c2t h GLU 21 CO 0.53 0.55 0.00 0.41 -1.18 0.00 0.00 179.01 179.32 3c2t n GLY 22 N -0.03 1.67 3.07 1.92 0.00 -1.26 -5.00 105.19 105.56 3c2t n GLY 22 Ca -0.06 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 3c2t n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c2t n ALA 23 N 1.16 -5.03 0.13 4.61 0.00 -1.19 -4.93 120.51 115.25 3c2t n ALA 23 Ca 0.19 -0.73 0.03 0.00 0.00 0.00 0.00 53.44 52.92 3c2t n ALA 23 Cb 0.48 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 3c2t n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3c2t n ALA 24 N -2.78 2.44 -2.85 0.00 0.00 -1.26 -5.05 120.51 111.01 3c2t n ALA 24 Ca -0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 3c2t n ALA 24 Cb 0.57 -0.18 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 3c2t n ALA 24 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3c2t s GLY 25 N -2.00 0.07 -0.20 0.00 0.00 -1.26 -4.52 107.32 99.40 3c2t s GLY 25 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 44.72 44.17 3c2t s GLY 25 CO 0.21 -0.50 0.66 -0.19 0.00 0.00 0.00 173.10 173.29 3c2t s TYR 26 N -2.42 3.36 0.32 1.90 1.51 0.21 -4.56 117.35 117.67 3c2t s TYR 26 Ca -0.06 0.96 -0.29 0.00 -1.01 0.00 0.00 57.07 56.66 3c2t s TYR 26 Cb -0.02 -2.84 -0.11 0.00 -0.11 0.00 0.00 41.96 38.88 3c2t s TYR 26 CO -0.03 -0.21 1.57 -0.51 -1.11 0.00 0.00 175.55 175.25 3c2t s ASP 27 N 1.24 6.35 -0.15 2.29 1.11 0.20 0.17 116.67 127.89 3c2t s ASP 27 Ca 0.30 2.99 0.00 0.00 0.18 0.00 0.00 52.55 56.02 3c2t s ASP 27 Cb -0.16 -2.64 0.02 0.00 1.07 0.00 0.00 42.92 41.21 3c2t s ASP 27 CO 0.10 -0.91 -0.13 0.27 1.18 0.00 0.00 175.17 175.68 3c2t s ILE 28 N -0.30 1.47 0.33 0.77 -5.25 -0.93 -3.55 121.20 113.74 3c2t s ILE 28 Ca 0.61 -0.59 -0.01 0.00 -0.99 0.00 0.00 60.65 59.67 3c2t s ILE 28 Cb -0.48 -1.41 -0.04 0.00 2.95 0.00 0.00 42.46 43.49 3c2t s ILE 28 CO 0.52 0.42 0.55 -0.44 -1.79 0.00 0.00 174.94 174.20 3c2t s SER 29 N 1.53 6.32 0.33 4.36 0.01 -1.26 -2.74 113.70 122.24 3c2t s SER 29 Ca 0.05 0.50 -0.26 0.00 1.31 0.00 0.00 55.95 57.54 3c2t s SER 29 Cb -0.13 -2.05 -0.10 0.00 0.21 0.00 0.00 66.02 63.95 3c2t s SER 29 CO -0.10 -0.27 0.99 -0.55 0.41 0.00 0.00 173.24 173.71 3c2t s SER 30 N -3.86 7.23 -0.00 2.44 0.15 0.24 -4.58 113.70 115.31 3c2t s SER 30 Ca 0.41 1.95 0.17 0.00 0.70 0.00 0.00 55.95 59.17 3c2t s SER 30 Cb -0.10 -2.59 -0.20 0.00 -1.71 0.00 0.00 66.02 61.42 3c2t s SER 30 CO 0.35 -0.15 0.68 0.52 1.20 0.00 0.00 173.24 175.84 3c2t n VAL 31 N 0.58 0.00 -3.59 4.45 0.31 -0.20 -1.48 118.33 118.40 3c2t n VAL 31 Ca 0.02 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3c2t n VAL 31 Cb 0.49 0.88 0.00 0.00 -0.91 0.00 0.00 33.84 34.30 3c2t n VAL 31 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3c2t n GLU 32 N -1.50 2.39 -4.02 5.55 0.28 -1.26 -4.79 120.64 117.28 3c2t n GLU 32 Ca 0.02 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.71 3c2t n GLU 32 Cb 0.29 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.01 3c2t n GLU 32 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3c2t s ASP 33 N -0.19 3.85 0.16 -1.84 1.01 -1.26 -1.58 116.67 116.82 3c2t s ASP 33 Ca 0.00 -1.11 -0.02 0.00 0.71 0.00 0.00 52.55 52.13 3c2t s ASP 33 Cb 0.00 -1.37 -0.04 0.00 1.01 0.00 0.00 42.92 42.53 3c2t s ASP 33 CO 0.00 -0.16 0.11 0.68 0.21 0.00 0.00 175.17 176.00 3c2t s VAL 34 N 1.27 0.06 -0.12 -1.27 -7.23 -0.12 -4.96 120.40 108.03 3c2t s VAL 34 Ca -0.04 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 3c2t s VAL 34 Cb -0.18 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.60 3c2t s VAL 34 CO -0.07 -0.29 -0.14 0.54 -0.31 0.00 0.00 175.10 174.83 3c2t s VAL 35 N -4.08 1.45 -0.59 1.32 0.11 -1.26 0.36 120.40 117.72 3c2t s VAL 35 Ca 0.28 -0.59 -0.21 0.00 -2.93 0.00 0.00 61.98 58.53 3c2t s VAL 35 Cb 0.07 -1.35 0.07 0.00 -1.53 0.00 0.00 36.38 33.64 3c2t s VAL 35 CO 0.05 0.44 0.80 0.54 -3.33 0.00 0.00 175.10 173.60 3c2t s VAL 36 N 1.23 4.61 0.30 2.04 0.11 -0.72 -4.92 120.40 123.05 3c2t s VAL 36 Ca -0.02 -0.49 -0.27 0.00 -2.93 0.00 0.00 61.98 58.28 3c2t s VAL 36 Cb -0.14 -4.52 -0.14 0.00 -1.53 0.00 0.00 36.38 30.05 3c2t s VAL 36 CO -0.05 -1.16 0.84 -0.81 -3.33 0.00 0.00 175.10 170.59 3c2t n PRO 37 N 6.90 0.95 -1.64 1.54 -0.04 -1.26 -2.47 135.00 138.98 3c2t n PRO 37 Ca -0.05 0.34 -0.51 0.00 -0.04 0.00 0.00 63.50 63.23 3c2t n PRO 37 Cb 0.45 -1.63 -0.06 0.00 -0.04 0.00 0.00 33.50 32.23 3c2t n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3c2t n ALA 38 N -0.03 -0.11 -2.21 0.55 0.00 -1.26 0.13 120.51 117.58 3c2t n ALA 38 Ca 0.12 0.46 -0.18 0.00 0.00 0.00 0.00 53.44 53.84 3c2t n ALA 38 Cb 0.32 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 3c2t n ALA 38 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3c2t n MET 39 N 3.52 -1.77 -4.35 0.00 2.81 0.20 -4.93 117.12 112.59 3c2t n MET 39 Ca 0.20 0.90 -0.24 0.00 -1.81 0.00 0.00 57.70 56.74 3c2t n MET 39 Cb 0.21 -5.48 -0.07 0.00 -0.71 0.00 0.00 33.22 27.18 3c2t n MET 39 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3c2t n GLY 40 N -0.80 3.23 3.47 3.03 0.00 0.36 -4.88 105.19 109.60 3c2t n GLY 40 Ca -0.20 -2.10 -0.23 0.00 0.00 0.00 0.00 46.02 43.49 3c2t n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3c2t s ARG 41 N -3.51 1.77 -0.17 1.61 1.70 -1.26 0.24 118.95 119.32 3c2t s ARG 41 Ca 0.22 -2.03 -0.30 0.00 -0.47 0.00 0.00 55.73 53.14 3c2t s ARG 41 Cb 0.01 -0.70 0.14 0.00 -0.57 0.00 0.00 34.95 33.83 3c2t s ARG 41 CO 0.15 -0.34 1.05 -1.50 -1.08 0.00 0.00 175.30 173.58 3c2t s ILE 42 N -3.30 0.00 -0.50 4.99 1.10 -0.34 -4.59 121.20 118.57 3c2t s ILE 42 Ca 0.30 0.00 -0.13 0.00 -0.51 0.00 0.00 60.65 60.31 3c2t s ILE 42 Cb 0.06 -1.00 0.12 0.00 0.15 0.00 0.00 42.46 41.78 3c2t s ILE 42 CO 0.15 0.00 0.41 0.00 -2.11 0.00 0.00 174.94 173.39 3c2t s ALA 43 N -1.16 3.51 0.38 1.50 0.00 -1.26 -1.25 121.76 123.48 3c2t s ALA 43 Ca -0.00 -2.47 -0.24 0.00 0.00 0.00 0.00 51.96 49.25 3c2t s ALA 43 Cb -0.01 -3.02 -0.10 0.00 0.00 0.00 0.00 23.12 19.99 3c2t s ALA 43 CO 0.00 -1.92 0.99 0.08 0.00 0.00 0.00 175.76 174.91 3c2t s VAL 44 N 1.49 4.03 -0.14 0.00 1.01 -0.91 -4.87 120.40 121.02 3c2t s VAL 44 Ca 0.04 1.53 -0.17 0.00 0.00 0.00 0.00 61.98 63.38 3c2t s VAL 44 Cb -0.27 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3c2t s VAL 44 CO 0.02 -0.02 0.42 -0.44 0.00 0.00 0.00 175.10 175.07 3c2t s SER 45 N -1.73 6.58 0.00 3.32 0.01 -1.26 -1.90 113.70 118.73 3c2t s SER 45 Ca 0.56 0.69 0.23 0.00 1.31 0.00 0.00 55.95 58.75 3c2t s SER 45 Cb -0.18 -2.25 0.17 0.00 0.21 0.00 0.00 66.02 63.97 3c2t s SER 45 CO 0.23 0.02 1.18 0.35 0.41 0.00 0.00 173.24 175.43 3c2t n THR 46 N 3.74 0.00 -2.09 1.44 -2.24 -1.10 -1.03 114.28 112.99 3c2t n THR 46 Ca -0.08 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 3c2t n THR 46 Cb 0.52 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.45 3c2t n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3c2t n GLY 47 N 1.47 0.11 3.22 3.38 0.00 -1.26 -4.66 105.19 107.45 3c2t n GLY 47 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3c2t n GLY 47 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3c2t s ILE 48 N -2.53 0.12 0.07 -0.61 -4.36 -1.26 -0.35 121.20 112.28 3c2t s ILE 48 Ca 0.00 -1.03 0.04 0.00 -0.26 0.00 0.00 60.65 59.40 3c2t s ILE 48 Cb 0.00 -1.26 -0.03 0.00 1.25 0.00 0.00 42.46 42.43 3c2t s ILE 48 CO 0.00 -0.57 -0.12 -0.55 0.24 0.00 0.00 174.94 173.94 3c2t s SER 49 N -2.75 1.43 0.20 4.36 0.15 -1.10 -1.33 113.70 114.67 3c2t s SER 49 Ca 0.03 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.05 3c2t s SER 49 Cb 0.04 -0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.28 3c2t s SER 49 CO -0.10 -0.14 0.08 0.27 1.20 0.00 0.00 173.24 174.55 3c2t s ILE 50 N -1.50 0.30 -0.19 6.45 -0.00 -1.26 -0.61 121.20 124.40 3c2t s ILE 50 Ca -0.03 -1.98 0.00 0.00 -0.00 0.00 0.00 60.65 58.65 3c2t s ILE 50 Cb -0.09 -2.39 0.05 0.00 -0.00 0.00 0.00 42.46 40.03 3c2t s ILE 50 CO 0.01 -0.17 -0.07 -0.13 -0.00 0.00 0.00 174.94 174.58 3c2t s ARG 51 N -4.06 1.71 0.23 0.37 3.00 -0.86 -4.66 118.95 114.69 3c2t s ARG 51 Ca 0.33 -0.74 -0.30 0.00 0.00 0.00 0.00 55.73 55.02 3c2t s ARG 51 Cb 0.07 -2.29 -0.09 0.00 0.00 0.00 0.00 34.95 32.64 3c2t s ARG 51 CO 0.09 -0.46 0.99 0.08 0.00 0.00 0.00 175.30 176.00 3c2t s VAL 52 N 1.49 3.97 0.46 3.52 1.01 -1.26 -3.12 120.40 126.46 3c2t s VAL 52 Ca -0.01 1.92 -0.20 0.00 0.00 0.00 0.00 61.98 63.68 3c2t s VAL 52 Cb -0.16 -4.22 -0.14 0.00 0.00 0.00 0.00 36.38 31.86 3c2t s VAL 52 CO -0.08 0.43 0.21 -2.65 0.00 0.00 0.00 175.10 173.02 3c2t n PRO 53 N 1.62 0.21 -0.67 2.72 -0.02 -1.24 -4.83 135.00 132.79 3c2t n PRO 53 Ca -0.01 0.08 -0.31 0.00 -2.02 0.00 0.00 63.50 61.24 3c2t n PRO 53 Cb 0.47 -1.23 0.17 0.00 -0.02 0.00 0.00 33.50 32.89 3c2t n PRO 53 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3c2t n ASP 54 N 1.85 0.03 -2.73 2.55 2.03 -1.26 -3.09 116.55 115.93 3c2t n ASP 54 Ca 0.11 0.38 -0.18 0.00 0.52 0.00 0.00 54.79 55.61 3c2t n ASP 54 Cb 0.43 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 3c2t n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3c2t n GLY 55 N 0.42 -0.50 3.61 0.27 0.00 -1.26 -4.94 105.19 102.78 3c2t n GLY 55 Ca 0.11 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 3c2t n GLY 55 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3c2t s THR 56 N -2.88 0.00 0.36 2.61 -1.32 -1.18 -3.16 115.64 110.07 3c2t s THR 56 Ca 0.14 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.70 3c2t s THR 56 Cb -0.07 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.89 3c2t s THR 56 CO 0.17 0.00 0.24 -0.72 -2.21 0.00 0.00 174.62 172.10 3c2t s TYR 57 N -0.12 2.78 -0.46 9.09 1.13 -0.34 -4.53 117.35 124.90 3c2t s TYR 57 Ca -0.01 -0.38 -0.09 0.00 -1.41 0.00 0.00 57.07 55.18 3c2t s TYR 57 Cb -0.04 -1.82 0.11 0.00 -1.10 0.00 0.00 41.96 39.12 3c2t s TYR 57 CO -0.01 0.19 0.32 0.20 -2.51 0.00 0.00 175.55 173.74 3c2t s GLY 58 N -3.96 2.02 -0.24 5.49 0.00 -0.44 -1.38 107.32 108.81 3c2t s GLY 58 Ca 0.41 -2.47 -0.18 0.00 0.00 0.00 0.00 44.72 42.49 3c2t s GLY 58 CO 0.25 1.08 0.49 -1.60 0.00 0.00 0.00 173.10 173.32 3c2t s ARG 59 N 1.36 4.10 -0.39 2.90 3.52 -0.75 -0.29 118.95 129.39 3c2t s ARG 59 Ca 0.05 0.31 -0.24 0.00 -0.13 0.00 0.00 55.73 55.72 3c2t s ARG 59 Cb -0.25 -3.62 0.02 0.00 -1.56 0.00 0.00 34.95 29.53 3c2t s ARG 59 CO -0.00 -0.27 0.82 0.96 -0.81 0.00 0.00 175.30 175.99 3c2t s ILE 60 N 2.06 4.67 0.29 4.11 -4.36 0.76 -1.93 121.20 126.79 3c2t s ILE 60 Ca 0.21 0.80 0.05 0.00 -0.26 0.00 0.00 60.65 61.46 3c2t s ILE 60 Cb -0.16 -4.27 -0.02 0.00 1.25 0.00 0.00 42.46 39.26 3c2t s ILE 60 CO 0.09 -0.55 0.42 0.00 0.24 0.00 0.00 174.94 175.14 3c2t s ALA 61 N 3.26 4.07 0.23 2.27 0.00 -0.17 -4.74 121.76 126.67 3c2t s ALA 61 Ca 0.32 -1.32 -0.26 0.00 0.00 0.00 0.00 51.96 50.70 3c2t s ALA 61 Cb -0.12 -1.73 -0.09 0.00 0.00 0.00 0.00 23.12 21.18 3c2t s ALA 61 CO 0.19 0.09 0.85 -1.25 0.00 0.00 0.00 175.76 175.65 3c2t s PRO 62 N -4.09 4.62 0.45 0.00 0.04 -1.26 -1.51 135.00 133.25 3c2t s PRO 62 Ca 0.40 1.26 -0.21 0.00 0.04 0.00 0.00 61.00 62.48 3c2t s PRO 62 Cb -0.09 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 3c2t s PRO 62 CO 0.30 0.48 1.03 1.03 0.04 0.00 0.00 177.00 179.88 3c2t s ARG 63 N -1.43 3.97 0.02 4.56 0.52 -1.26 -4.83 118.95 120.50 3c2t s ARG 63 Ca 0.41 1.36 -0.23 0.00 -0.52 0.00 0.00 55.73 56.75 3c2t s ARG 63 Cb -0.22 -2.23 -0.13 0.00 0.52 0.00 0.00 34.95 32.89 3c2t s ARG 63 CO 0.27 -0.28 1.11 0.77 0.02 0.00 0.00 175.30 177.18 3c2t h SER 64 N 1.88 -0.69 -0.76 0.23 0.02 -1.98 -2.94 113.55 109.30 3c2t h SER 64 Ca -0.49 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 60.55 3c2t h SER 64 Cb 1.21 0.18 -0.10 0.00 0.14 0.00 0.00 62.40 63.84 3c2t h SER 64 CO 0.60 -0.41 -0.49 1.23 -1.14 0.00 0.00 176.83 176.63 3c2t h GLY 65 N -1.00 -1.16 -0.05 -3.77 0.00 -1.98 0.33 103.07 95.43 3c2t h GLY 65 Ca -0.08 0.85 0.18 0.00 0.00 0.00 0.00 47.33 48.27 3c2t h GLY 65 CO 0.14 -0.15 0.32 1.41 0.00 0.00 0.00 176.54 178.27 3c2t h LEU 66 N -0.05 0.26 -0.14 3.11 3.38 -1.94 0.74 115.31 120.67 3c2t h LEU 66 Ca 0.12 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 3c2t h LEU 66 Cb 0.36 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3c2t h LEU 66 CO -0.74 0.04 -0.04 0.00 0.09 0.00 0.00 178.44 177.78 3c2t h ALA 67 N 1.64 0.19 0.04 1.53 0.00 -0.75 -2.43 119.26 119.48 3c2t h ALA 67 Ca 0.48 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3c2t h ALA 67 Cb 0.84 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3c2t h ALA 67 CO -0.48 -0.05 -0.02 -0.92 0.00 0.00 0.00 179.25 177.78 3c2t h TYR 68 N -0.04 -0.05 0.19 0.00 5.03 0.74 -2.08 116.97 120.76 3c2t h TYR 68 Ca 0.03 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 3c2t h TYR 68 Cb 0.48 0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.78 3c2t h TYR 68 CO 0.06 0.34 -0.09 0.87 -1.32 0.00 0.00 178.16 178.01 3c2t h LYS 69 N -0.45 -0.25 -0.18 1.82 1.57 0.34 -3.38 116.57 116.04 3c2t h LYS 69 Ca -0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3c2t h LYS 69 Cb 0.41 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3c2t h LYS 69 CO 0.01 -0.16 0.00 0.66 -0.57 0.00 0.00 179.45 179.38 3c2t n TYR 70 N -4.02 0.23 -3.18 -1.35 4.02 -0.97 -4.97 117.16 106.92 3c2t n TYR 70 Ca -0.03 -0.11 -0.14 0.00 -0.01 0.00 0.00 57.90 57.60 3c2t n TYR 70 Cb 0.10 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.50 3c2t n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3c2t n GLY 71 N 1.23 -0.22 3.74 2.72 0.00 -0.78 -4.62 105.19 107.25 3c2t n GLY 71 Ca 0.17 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3c2t n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3c2t s ILE 72 N -3.30 4.39 0.26 -0.61 1.01 -0.97 -1.75 121.20 120.23 3c2t s ILE 72 Ca 0.01 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3c2t s ILE 72 Cb -0.00 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 3c2t s ILE 72 CO 0.60 0.21 0.10 -0.62 0.00 0.00 0.00 174.94 175.23 3c2t s ASP 73 N -2.11 1.15 -0.18 3.58 3.68 -0.85 -3.86 116.67 118.07 3c2t s ASP 73 Ca 0.26 -1.39 0.01 0.00 2.13 0.00 0.00 52.55 53.56 3c2t s ASP 73 Cb -0.12 0.17 0.02 0.00 -1.45 0.00 0.00 42.92 41.54 3c2t s ASP 73 CO 0.18 -0.74 -0.18 -0.69 0.13 0.00 0.00 175.17 173.87 3c2t s VAL 74 N -3.77 2.20 0.31 1.11 1.01 -1.26 -1.74 120.40 118.26 3c2t s VAL 74 Ca 0.38 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 3c2t s VAL 74 Cb 0.08 -1.93 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 3c2t s VAL 74 CO 0.14 0.53 0.61 -0.76 0.00 0.00 0.00 175.10 175.61 3c2t s LEU 75 N 1.28 4.02 0.00 3.92 1.43 -0.13 -4.86 118.68 124.34 3c2t s LEU 75 Ca 0.04 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 3c2t s LEU 75 Cb -0.13 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.41 3c2t s LEU 75 CO -0.11 -0.23 0.00 0.00 0.23 0.00 0.00 176.35 176.24 3c2t n ALA 76 N -0.90 0.00 0.00 4.21 0.00 -1.26 -4.50 120.51 118.05 3c2t n ALA 76 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3c2t n ALA 76 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3c2t n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3c2t n GLY 77 N 0.00 0.65 3.57 0.00 0.00 -1.26 -4.90 105.19 103.25 3c2t n GLY 77 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3c2t n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3c2t s VAL 78 N -2.00 4.70 -0.36 1.61 1.01 -1.26 -0.17 120.40 123.92 3c2t s VAL 78 Ca 0.00 0.74 -0.08 0.00 0.00 0.00 0.00 61.98 62.64 3c2t s VAL 78 Cb 0.00 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.17 3c2t s VAL 78 CO 0.00 -0.54 0.15 -0.63 0.00 0.00 0.00 175.10 174.08 3c2t s ILE 79 N 3.19 4.03 0.59 2.22 1.01 0.60 -5.01 121.20 127.84 3c2t s ILE 79 Ca 0.31 -1.10 -0.18 0.00 0.00 0.00 0.00 60.65 59.68 3c2t s ILE 79 Cb -0.13 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 3c2t s ILE 79 CO 0.19 -0.24 1.11 -1.81 0.00 0.00 0.00 174.94 174.20 3c2t s ASP 80 N 1.52 5.51 0.21 3.58 1.11 -1.26 -1.33 116.67 126.02 3c2t s ASP 80 Ca -0.00 2.08 -0.09 0.00 0.18 0.00 0.00 52.55 54.72 3c2t s ASP 80 Cb -0.20 -2.57 0.31 0.00 1.07 0.00 0.00 42.92 41.53 3c2t s ASP 80 CO 0.04 -1.36 1.74 -0.08 1.18 0.00 0.00 175.17 176.69 3c2t h GLU 81 N 0.72 0.38 -1.83 8.23 4.81 -1.91 -2.55 114.58 122.43 3c2t h GLU 81 Ca -0.49 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.43 3c2t h GLU 81 Cb 1.25 -0.09 -0.11 0.00 0.63 0.00 0.00 28.75 30.44 3c2t h GLU 81 CO 0.56 0.25 0.18 -0.40 -0.73 0.00 0.00 179.01 178.87 3c2t n ASP 82 N -5.02 6.03 -4.59 1.04 3.85 -1.26 -4.33 116.55 112.28 3c2t n ASP 82 Ca 0.10 -2.87 -0.34 0.00 -0.71 0.00 0.00 54.79 50.96 3c2t n ASP 82 Cb 0.30 -1.19 -0.10 0.00 -1.35 0.00 0.00 41.12 38.78 3c2t n ASP 82 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 3c2t s TYR 83 N -0.91 3.18 -0.27 2.11 5.04 -0.96 -4.97 117.35 120.56 3c2t s TYR 83 Ca 0.40 -0.05 0.03 0.00 -2.44 0.00 0.00 57.07 55.02 3c2t s TYR 83 Cb 0.25 -2.03 -0.01 0.00 0.35 0.00 0.00 41.96 40.52 3c2t s TYR 83 CO -0.06 0.10 0.33 2.41 -1.34 0.00 0.00 175.55 176.99 3c2t n THR 84 N 3.49 0.00 -2.12 4.34 -1.04 -1.26 -4.60 114.28 113.09 3c2t n THR 84 Ca -0.17 -0.45 -0.28 0.00 -2.04 0.00 0.00 64.05 61.10 3c2t n THR 84 Cb 0.52 1.03 0.18 0.00 -1.82 0.00 0.00 70.33 70.24 3c2t n THR 84 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3c2t s GLY 85 N -0.91 1.79 0.29 3.41 0.00 -1.26 -4.94 107.32 105.70 3c2t s GLY 85 Ca 0.02 -1.42 -0.29 0.00 0.00 0.00 0.00 44.72 43.04 3c2t s GLY 85 CO 0.10 -0.67 1.10 1.85 0.00 0.00 0.00 173.10 175.48 3c2t s GLU 86 N -5.73 4.59 -0.04 2.90 2.12 -1.26 -4.54 118.70 116.74 3c2t s GLU 86 Ca 0.73 1.79 -0.30 0.00 0.36 0.00 0.00 54.97 57.55 3c2t s GLU 86 Cb -0.03 -3.13 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 3c2t s GLU 86 CO 0.51 0.17 1.11 0.08 -0.54 0.00 0.00 175.26 176.59 3c2t s VAL 87 N -1.21 4.46 -0.17 3.70 1.01 -0.44 -5.00 120.40 122.75 3c2t s VAL 87 Ca 0.46 1.76 -0.04 0.00 0.00 0.00 0.00 61.98 64.16 3c2t s VAL 87 Cb -0.31 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 3c2t s VAL 87 CO 0.40 0.04 -0.04 -0.54 0.00 0.00 0.00 175.10 174.97 3c2t s LYS 88 N 1.79 3.59 -0.59 2.72 -0.14 -1.26 -2.72 119.74 123.12 3c2t s LYS 88 Ca 0.54 -0.55 -0.16 0.00 -1.36 0.00 0.00 55.97 54.44 3c2t s LYS 88 Cb -0.23 -2.94 0.14 0.00 -1.68 0.00 0.00 37.83 33.13 3c2t s LYS 88 CO 0.23 0.12 0.55 0.08 -0.76 0.00 0.00 175.35 175.57 3c2t s VAL 89 N 0.67 5.28 -0.45 3.17 1.01 -0.80 -4.92 120.40 124.35 3c2t s VAL 89 Ca -0.02 -1.66 -0.24 0.00 0.00 0.00 0.00 61.98 60.06 3c2t s VAL 89 Cb -0.14 -4.36 0.03 0.00 0.00 0.00 0.00 36.38 31.90 3c2t s VAL 89 CO 0.02 -0.90 0.84 0.27 0.00 0.00 0.00 175.10 175.33 3c2t s ILE 90 N 1.37 4.59 -0.00 2.22 -4.36 -1.26 -2.14 121.20 121.61 3c2t s ILE 90 Ca 0.06 0.56 -0.11 0.00 -0.26 0.00 0.00 60.65 60.90 3c2t s ILE 90 Cb -0.27 -4.36 -0.05 0.00 1.25 0.00 0.00 42.46 39.03 3c2t s ILE 90 CO 0.01 -0.75 0.35 -0.76 0.24 0.00 0.00 174.94 174.03 3c2t s LEU 91 N 3.45 4.42 -0.12 0.37 1.43 -0.38 -0.96 118.68 126.90 3c2t s LEU 91 Ca 0.33 0.80 0.02 0.00 -1.03 0.00 0.00 54.13 54.24 3c2t s LEU 91 Cb -0.11 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 3c2t s LEU 91 CO 0.24 0.30 -0.18 -0.47 0.23 0.00 0.00 176.35 176.46 3c2t s TYR 92 N -1.17 2.70 -0.45 0.29 5.04 -0.71 -1.20 117.35 121.85 3c2t s TYR 92 Ca 0.25 -0.86 -0.19 0.00 -2.44 0.00 0.00 57.07 53.83 3c2t s TYR 92 Cb -0.15 -1.79 0.03 0.00 0.35 0.00 0.00 41.96 40.41 3c2t s TYR 92 CO 0.13 -0.33 0.57 1.21 -1.34 0.00 0.00 175.55 175.79 3c2t s ASN 93 N 0.38 6.26 0.00 4.32 2.47 0.66 -2.01 114.94 127.02 3c2t s ASN 93 Ca -0.14 -0.58 0.20 0.00 0.42 0.00 0.00 52.86 52.75 3c2t s ASN 93 Cb -0.17 -2.28 0.93 0.00 -1.45 0.00 0.00 41.25 38.28 3c2t s ASN 93 CO 0.07 -0.73 1.62 1.07 -3.72 0.00 0.00 177.10 175.40 3c2t n THR 94 N 5.65 0.51 -3.32 -5.21 5.66 -0.72 -1.98 114.28 114.87 3c2t n THR 94 Ca -0.05 0.13 -0.16 0.00 -3.05 0.00 0.00 64.05 60.92 3c2t n THR 94 Cb 0.47 -0.80 0.03 0.00 -1.55 0.00 0.00 70.33 68.48 3c2t n THR 94 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3c2t n THR 95 N -1.37 0.00 0.10 1.09 -2.24 -1.26 -4.80 114.28 105.80 3c2t n THR 95 Ca 0.08 -1.48 0.11 0.00 -2.27 0.00 0.00 64.05 60.48 3c2t n THR 95 Cb 0.18 -0.45 -0.10 0.00 -2.10 0.00 0.00 70.33 67.86 3c2t n THR 95 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3c2t n GLU 96 N -1.73 0.60 -3.46 -0.78 0.00 -1.26 0.58 120.64 114.58 3c2t n GLU 96 Ca 0.07 -0.08 -0.37 0.00 0.00 0.00 0.00 57.16 56.77 3c2t n GLU 96 Cb 0.45 -1.62 -0.06 0.00 0.00 0.00 0.00 31.44 30.20 3c2t n GLU 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 3c2t s ARG 97 N -3.43 4.14 1.02 3.44 3.52 -1.26 -4.64 118.95 121.73 3c2t s ARG 97 Ca -0.04 0.33 -0.12 0.00 -0.13 0.00 0.00 55.73 55.77 3c2t s ARG 97 Cb 0.13 -3.35 0.20 0.00 -1.56 0.00 0.00 34.95 30.37 3c2t s ARG 97 CO 0.86 0.40 1.08 -0.51 -0.81 0.00 0.00 175.30 176.32 3c2t s ASP 98 N -0.10 2.30 -0.10 -2.12 1.11 -1.26 -4.37 116.67 112.13 3c2t s ASP 98 Ca 0.22 1.55 -0.00 0.00 0.18 0.00 0.00 52.55 54.50 3c2t s ASP 98 Cb -0.15 -2.22 0.02 0.00 1.07 0.00 0.00 42.92 41.64 3c2t s ASP 98 CO 0.10 -3.38 -0.08 -0.47 1.18 0.00 0.00 175.17 172.51 3c2t s TYR 99 N -2.72 1.44 -0.29 4.23 6.14 -1.03 -4.90 117.35 120.23 3c2t s TYR 99 Ca 0.66 -0.69 -0.23 0.00 0.64 0.00 0.00 57.07 57.45 3c2t s TYR 99 Cb -0.21 -1.19 -0.00 0.00 0.42 0.00 0.00 41.96 40.98 3c2t s TYR 99 CO 0.60 -0.47 0.77 0.42 0.64 0.00 0.00 175.55 177.51 3c2t s ILE 100 N 1.54 4.83 -0.48 3.14 -1.09 -1.26 -1.75 121.20 126.13 3c2t s ILE 100 Ca 0.02 1.24 -0.09 0.00 -2.23 0.00 0.00 60.65 59.59 3c2t s ILE 100 Cb -0.13 -4.11 0.12 0.00 -1.58 0.00 0.00 42.46 36.76 3c2t s ILE 100 CO -0.06 -0.18 0.36 -0.63 -1.23 0.00 0.00 174.94 173.20 3c2t s ILE 101 N 2.87 4.25 0.37 2.92 1.01 0.16 -5.01 121.20 127.76 3c2t s ILE 101 Ca 0.32 -1.79 -0.24 0.00 0.00 0.00 0.00 60.65 58.93 3c2t s ILE 101 Cb -0.15 -3.80 -0.10 0.00 0.01 0.00 0.00 42.46 38.42 3c2t s ILE 101 CO 0.11 -0.78 0.95 -1.59 0.00 0.00 0.00 174.94 173.62 3c2t s LYS 102 N 1.35 4.44 0.45 2.79 -2.85 -1.26 -0.95 119.74 123.70 3c2t s LYS 102 Ca 0.06 1.24 -0.23 0.00 -1.00 0.00 0.00 55.97 56.05 3c2t s LYS 102 Cb -0.26 -2.55 -0.10 0.00 -2.06 0.00 0.00 37.83 32.86 3c2t s LYS 102 CO -0.01 0.15 0.83 1.17 0.10 0.00 0.00 175.35 177.59 3c2t n LYS 103 N 0.07 1.00 0.00 1.78 4.81 -0.61 -1.89 118.16 123.31 3c2t n LYS 103 Ca 0.04 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 3c2t n LYS 103 Cb 0.52 -1.87 0.00 0.00 0.02 0.00 0.00 35.03 33.70 3c2t n LYS 103 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3c2t n GLY 104 N 1.42 3.04 3.73 3.14 0.00 -0.55 -5.01 105.19 110.96 3c2t n GLY 104 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3c2t n GLY 104 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3c2t n ASP 105 N 0.17 2.55 -4.67 1.61 9.92 -0.79 -4.56 116.55 120.78 3c2t n ASP 105 Ca 0.00 0.98 -0.40 0.00 -0.53 0.00 0.00 54.79 54.84 3c2t n ASP 105 Cb 0.00 -1.56 -0.06 0.00 -0.64 0.00 0.00 41.12 38.87 3c2t n ASP 105 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 3c2t s ARG 106 N -2.81 4.24 0.00 -1.24 0.52 -1.26 0.79 118.95 119.18 3c2t s ARG 106 Ca 0.71 0.64 0.03 0.00 -0.52 0.00 0.00 55.73 56.59 3c2t s ARG 106 Cb -0.43 -3.56 -0.03 0.00 0.52 0.00 0.00 34.95 31.45 3c2t s ARG 106 CO 0.50 -0.20 0.17 0.44 0.02 0.00 0.00 175.30 176.23 3c2t n ILE 107 N 4.57 0.00 -3.47 1.52 -5.35 -1.11 -4.92 119.36 110.59 3c2t n ILE 107 Ca -0.01 -0.43 -0.03 0.00 -0.27 0.00 0.00 62.75 62.01 3c2t n ILE 107 Cb 0.50 1.00 0.01 0.00 -1.74 0.00 0.00 39.64 39.41 3c2t n ILE 107 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3c2t n ALA 108 N -1.01 -0.95 -3.66 -1.28 0.00 -1.19 -4.62 120.51 107.80 3c2t n ALA 108 Ca 0.01 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.82 3c2t n ALA 108 Cb 0.05 0.35 -0.14 0.00 0.00 0.00 0.00 19.45 19.72 3c2t n ALA 108 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3c2t s GLN 109 N -2.03 0.14 -0.17 0.00 -2.07 -0.57 -2.20 119.66 112.76 3c2t s GLN 109 Ca 0.08 0.41 -0.20 0.00 -1.82 0.00 0.00 55.36 53.83 3c2t s GLN 109 Cb -0.02 -0.13 -0.03 0.00 -1.09 0.00 0.00 33.01 31.74 3c2t s GLN 109 CO 0.04 -0.15 0.57 -1.17 -1.32 0.00 0.00 175.29 173.27 3c2t s LEU 110 N 1.08 4.18 -0.17 2.60 2.96 0.46 -1.00 118.68 128.79 3c2t s LEU 110 Ca -0.08 0.81 -0.00 0.00 -0.22 0.00 0.00 54.13 54.64 3c2t s LEU 110 Cb -0.10 -2.82 0.00 0.00 0.50 0.00 0.00 46.19 43.78 3c2t s LEU 110 CO -0.06 -0.18 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.01 3c2t s ILE 111 N 1.50 2.63 -1.10 6.68 1.01 -0.81 0.65 121.20 131.76 3c2t s ILE 111 Ca 0.28 -0.76 -0.20 0.00 0.00 0.00 0.00 60.65 59.97 3c2t s ILE 111 Cb -0.16 -2.13 0.09 0.00 0.01 0.00 0.00 42.46 40.27 3c2t s ILE 111 CO 0.11 0.50 1.46 -0.76 0.00 0.00 0.00 174.94 176.26 3c2t s LEU 112 N 1.08 4.09 -0.07 2.97 2.01 -1.26 -1.81 118.68 125.70 3c2t s LEU 112 Ca -0.00 -2.04 -0.30 0.00 0.01 0.00 0.00 54.13 51.80 3c2t s LEU 112 Cb -0.14 -2.52 -0.02 0.00 0.01 0.00 0.00 46.19 43.51 3c2t s LEU 112 CO -0.04 -1.23 1.10 -1.61 1.01 0.00 0.00 176.35 175.57 3c2t s GLU 113 N 3.89 4.40 -0.04 1.70 0.41 -0.48 -4.87 118.70 123.72 3c2t s GLU 113 Ca 0.45 1.54 -0.30 0.00 -0.41 0.00 0.00 54.97 56.25 3c2t s GLU 113 Cb -0.00 -3.54 -0.03 0.00 -1.78 0.00 0.00 34.13 28.78 3c2t s GLU 113 CO -0.04 -0.36 1.12 -0.65 -0.49 0.00 0.00 175.26 174.85 3c2t s GLN 114 N 2.01 4.41 0.26 1.61 -0.21 -1.26 -1.20 119.66 125.29 3c2t s GLN 114 Ca 0.52 1.59 0.02 0.00 0.02 0.00 0.00 55.36 57.51 3c2t s GLN 114 Cb -0.22 -3.50 -0.04 0.00 1.00 0.00 0.00 33.01 30.25 3c2t s GLN 114 CO 0.21 -0.32 0.13 0.96 -2.12 0.00 0.00 175.29 174.14 3c2t s ILE 115 N 1.77 0.37 -0.06 1.08 -4.36 -1.19 -4.95 121.20 113.85 3c2t s ILE 115 Ca 0.54 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.96 3c2t s ILE 115 Cb -0.24 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 40.91 3c2t s ILE 115 CO 0.23 0.00 -0.16 0.68 0.24 0.00 0.00 174.94 175.94 3c2t s VAL 116 N -3.78 1.36 -0.75 8.37 -7.23 -1.26 -4.46 120.40 112.65 3c2t s VAL 116 Ca 0.37 -0.64 0.03 0.00 -1.81 0.00 0.00 61.98 59.94 3c2t s VAL 116 Cb 0.07 -1.20 0.27 0.00 0.56 0.00 0.00 36.38 36.07 3c2t s VAL 116 CO 0.15 0.40 0.96 1.07 -0.31 0.00 0.00 175.10 177.37 3c2t n THR 117 N 3.49 3.21 0.00 5.32 5.66 -1.26 -5.07 114.28 125.64 3c2t n THR 117 Ca -0.20 -5.44 0.00 0.00 -3.05 0.00 0.00 64.05 55.36 3c2t n THR 117 Cb 0.52 -2.06 0.00 0.00 -1.55 0.00 0.00 70.33 67.25 3c2t n THR 117 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3c2t n PRO 118 N 0.90 1.01 -4.06 1.09 -0.02 -1.26 -5.09 135.00 127.57 3c2t n PRO 118 Ca 0.29 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.51 3c2t n PRO 118 Cb 0.39 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.83 3c2t n PRO 118 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3c2t s GLY 119 N -0.99 2.45 -0.10 -1.23 0.00 -1.26 -5.14 107.32 101.05 3c2t s GLY 119 Ca 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 44.72 43.31 3c2t s GLY 119 CO 0.00 -1.96 -0.02 0.14 0.00 0.00 0.00 173.10 171.26 3c2t s VAL 120 N -2.72 4.09 -0.28 1.40 1.01 -1.26 -5.08 120.40 117.56 3c2t s VAL 120 Ca 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 3c2t s VAL 120 Cb -0.00 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.74 3c2t s VAL 120 CO 0.19 0.57 0.08 0.00 0.00 0.00 0.00 175.10 175.94 3c2t s ALA 121 N -0.54 1.42 0.72 5.51 0.00 -1.26 -5.14 121.76 122.47 3c2t s ALA 121 Ca 0.09 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 3c2t s ALA 121 Cb -0.12 -1.51 0.13 0.00 0.00 0.00 0.00 23.12 21.62 3c2t s ALA 121 CO 0.02 -1.54 0.90 1.33 0.00 0.00 0.00 175.76 176.47 3c2t n VAL 122 N 4.89 0.00 -2.66 0.00 0.24 -1.26 -5.13 118.33 114.41 3c2t n VAL 122 Ca -0.04 -1.35 0.00 0.00 -2.04 0.00 0.00 64.34 60.91 3c2t n VAL 122 Cb 0.43 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 3c2t n VAL 122 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3c2t n VAL 123 N -2.75 0.00 0.00 3.34 0.24 -1.26 -5.36 118.33 112.54 3c2t n VAL 123 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 3c2t n VAL 123 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 3c2t n VAL 123 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87