#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2m s SER 2 N 0.00 6.66 0.04 1.61 0.15 -1.26 -5.02 113.70 115.88 3k2m s SER 2 Ca 0.00 2.50 -0.05 0.00 0.70 0.00 0.00 55.95 59.10 3k2m s SER 2 Cb 0.00 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 3k2m s SER 2 CO 0.00 -0.59 0.07 -0.94 1.20 0.00 0.00 173.24 172.98 3k2m s SER 3 N -0.83 0.23 0.09 5.45 1.04 -1.26 -5.16 113.70 113.26 3k2m s SER 3 Ca 0.53 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 56.35 3k2m s SER 3 Cb -0.35 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 3k2m s SER 3 CO 0.45 -0.54 -0.07 0.68 0.98 0.00 0.00 173.24 174.75 3k2m s VAL 4 N -2.91 0.68 0.12 5.02 -7.23 -1.26 -5.12 120.40 109.69 3k2m s VAL 4 Ca -0.02 -1.78 0.06 0.00 -1.81 0.00 0.00 61.98 58.42 3k2m s VAL 4 Cb 0.01 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 3k2m s VAL 4 CO -0.06 -0.78 -0.14 -0.44 -0.31 0.00 0.00 175.10 173.37 3k2m s SER 5 N -2.78 1.98 -0.30 4.85 0.01 -1.26 -4.99 113.70 111.20 3k2m s SER 5 Ca 0.08 -0.80 -0.25 0.00 1.31 0.00 0.00 55.95 56.28 3k2m s SER 5 Cb 0.02 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.19 3k2m s SER 5 CO -0.04 -0.14 0.88 -0.44 0.41 0.00 0.00 173.24 173.91 3k2m s SER 6 N -2.43 6.76 -0.09 2.44 0.01 -1.26 -0.78 113.70 118.36 3k2m s SER 6 Ca 0.08 0.81 -0.04 0.00 1.31 0.00 0.00 55.95 58.12 3k2m s SER 6 Cb -0.05 -2.45 0.05 0.00 0.21 0.00 0.00 66.02 63.77 3k2m s SER 6 CO 0.03 -0.69 0.19 -0.69 0.41 0.00 0.00 173.24 172.49 3k2m s VAL 7 N 3.16 -0.14 1.35 3.43 1.01 -1.02 -4.46 120.40 123.72 3k2m s VAL 7 Ca 0.37 0.23 -0.23 0.00 0.00 0.00 0.00 61.98 62.35 3k2m s VAL 7 Cb -0.14 -0.32 0.34 0.00 0.00 0.00 0.00 36.38 36.27 3k2m s VAL 7 CO 0.13 0.09 1.00 -2.65 0.00 0.00 0.00 175.10 173.67 3k2m n PRO 8 N 4.62 -3.95 0.00 2.72 -0.02 -1.26 -3.76 135.00 133.35 3k2m n PRO 8 Ca -0.19 -1.63 0.01 0.00 -2.02 0.00 0.00 63.50 59.67 3k2m n PRO 8 Cb 0.51 -1.77 -0.01 0.00 -0.02 0.00 0.00 33.50 32.22 3k2m n PRO 8 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3k2m n THR 9 N -5.32 0.00 -3.75 3.45 -2.24 -1.26 -4.67 114.28 100.49 3k2m n THR 9 Ca 0.15 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 3k2m n THR 9 Cb 0.60 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.72 3k2m n THR 9 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3k2m s LYS 10 N -1.12 0.34 -0.05 -0.78 2.20 -1.26 -5.03 119.74 114.04 3k2m s LYS 10 Ca 0.01 0.48 0.01 0.00 -0.36 0.00 0.00 55.97 56.11 3k2m s LYS 10 Cb 0.02 0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.48 3k2m s LYS 10 CO 0.10 -0.07 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.81 3k2m s LEU 11 N 0.44 1.20 0.01 5.43 2.96 -1.26 -2.90 118.68 124.57 3k2m s LEU 11 Ca -0.02 -0.13 0.06 0.00 -0.22 0.00 0.00 54.13 53.82 3k2m s LEU 11 Cb -0.04 -0.46 -0.02 0.00 0.50 0.00 0.00 46.19 46.17 3k2m s LEU 11 CO -0.02 -0.08 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.14 3k2m s GLU 12 N 1.12 1.35 0.01 1.98 2.02 0.14 -4.99 118.70 120.34 3k2m s GLU 12 Ca -0.08 -0.76 -0.04 0.00 0.02 0.00 0.00 54.97 54.12 3k2m s GLU 12 Cb -0.14 -1.37 -0.01 0.00 0.10 0.00 0.00 34.13 32.71 3k2m s GLU 12 CO -0.01 0.36 0.05 0.14 0.02 0.00 0.00 175.26 175.82 3k2m s VAL 13 N -0.61 0.09 -0.06 2.63 -7.23 -1.26 -0.84 120.40 113.12 3k2m s VAL 13 Ca 0.06 -0.75 -0.20 0.00 -1.81 0.00 0.00 61.98 59.29 3k2m s VAL 13 Cb -0.08 -0.33 0.04 0.00 0.56 0.00 0.00 36.38 36.58 3k2m s VAL 13 CO 0.00 -0.41 0.45 0.54 -0.31 0.00 0.00 175.10 175.37 3k2m s VAL 14 N -1.33 0.03 0.09 1.32 0.11 -0.75 -5.01 120.40 114.86 3k2m s VAL 14 Ca -0.14 -0.25 -0.31 0.00 -2.93 0.00 0.00 61.98 58.35 3k2m s VAL 14 Cb -0.08 -0.73 -0.07 0.00 -1.53 0.00 0.00 36.38 33.97 3k2m s VAL 14 CO 0.00 -0.14 1.27 0.00 -3.33 0.00 0.00 175.10 172.91 3k2m s ALA 15 N -0.98 3.47 -0.18 1.54 0.00 -1.26 -1.46 121.76 122.88 3k2m s ALA 15 Ca -0.10 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 3k2m s ALA 15 Cb -0.03 -3.48 -0.21 0.00 0.00 0.00 0.00 23.12 19.40 3k2m s ALA 15 CO 0.05 -0.49 0.15 0.00 0.00 0.00 0.00 175.76 175.47 3k2m n ALA 16 N 3.80 0.97 -2.45 0.00 0.00 0.38 -4.82 120.51 118.39 3k2m n ALA 16 Ca 0.09 -0.69 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 3k2m n ALA 16 Cb 0.45 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 19.34 3k2m n ALA 16 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3k2m s THR 17 N -2.49 0.00 0.45 0.00 -4.23 -1.08 -4.98 115.64 103.32 3k2m s THR 17 Ca -0.28 -1.86 0.28 0.00 -1.18 0.00 0.00 61.69 58.66 3k2m s THR 17 Cb 0.08 -2.44 0.28 0.00 1.34 0.00 0.00 72.50 71.76 3k2m s THR 17 CO 0.66 0.00 1.85 -0.65 -0.54 0.00 0.00 174.62 175.94 3k2m h PRO 18 N 2.49 0.00 -0.10 3.99 0.11 -1.97 -2.40 132.00 134.12 3k2m h PRO 18 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3k2m h PRO 18 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3k2m h PRO 18 CO 0.48 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.52 3k2m n THR 19 N -2.69 0.95 -3.76 -1.15 -2.24 -1.26 -3.39 114.28 100.73 3k2m n THR 19 Ca -0.02 -0.98 -0.11 0.00 -2.27 0.00 0.00 64.05 60.68 3k2m n THR 19 Cb 0.28 0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 3k2m n THR 19 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3k2m s SER 20 N -0.97 -0.09 0.06 3.42 1.04 -0.90 -0.96 113.70 115.30 3k2m s SER 20 Ca 0.07 -0.28 0.06 0.00 0.48 0.00 0.00 55.95 56.28 3k2m s SER 20 Cb 0.04 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 3k2m s SER 20 CO 0.05 -0.65 -0.18 -0.76 0.98 0.00 0.00 173.24 172.68 3k2m s LEU 21 N -2.26 2.21 -0.20 2.42 1.43 -0.11 -0.47 118.68 121.71 3k2m s LEU 21 Ca -0.03 -0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 52.44 3k2m s LEU 21 Cb 0.00 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 3k2m s LEU 21 CO -0.05 0.06 0.10 -0.22 0.23 0.00 0.00 176.35 176.47 3k2m s LEU 22 N -1.40 3.95 0.13 1.79 2.96 -0.54 -1.40 118.68 124.18 3k2m s LEU 22 Ca 0.04 0.11 0.09 0.00 -0.22 0.00 0.00 54.13 54.16 3k2m s LEU 22 Cb -0.09 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 3k2m s LEU 22 CO 0.02 0.15 -0.23 0.27 -1.32 0.00 0.00 176.35 175.25 3k2m s ILE 23 N 0.53 1.97 -0.01 6.68 -4.36 -0.23 -1.81 121.20 123.97 3k2m s ILE 23 Ca 0.05 -1.73 -0.10 0.00 -0.26 0.00 0.00 60.65 58.61 3k2m s ILE 23 Cb -0.12 -1.81 0.01 0.00 1.25 0.00 0.00 42.46 41.79 3k2m s ILE 23 CO 0.00 -0.07 0.21 -0.94 0.24 0.00 0.00 174.94 174.38 3k2m s SER 24 N -2.18 -0.08 0.26 4.36 1.04 -0.02 -1.38 113.70 115.70 3k2m s SER 24 Ca 0.12 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.54 3k2m s SER 24 Cb -0.09 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 3k2m s SER 24 CO 0.06 -0.36 0.20 -1.66 0.98 0.00 0.00 173.24 172.46 3k2m s TRP 25 N -1.20 1.43 0.19 5.02 -2.14 -0.25 -0.69 118.94 121.32 3k2m s TRP 25 Ca -0.13 -1.51 -0.28 0.00 2.66 0.00 0.00 56.10 56.85 3k2m s TRP 25 Cb -0.06 -0.63 -0.08 0.00 -3.10 0.00 0.00 33.47 29.60 3k2m s TRP 25 CO 0.02 -0.75 0.86 0.16 -2.66 0.00 0.00 176.95 174.58 3k2m s ASP 26 N -3.26 7.51 0.38 -2.66 3.84 -1.14 -4.80 116.67 116.55 3k2m s ASP 26 Ca 0.40 1.79 -0.27 0.00 -0.00 0.00 0.00 52.55 54.47 3k2m s ASP 26 Cb 0.05 -2.55 -0.09 0.00 -1.38 0.00 0.00 42.92 38.94 3k2m s ASP 26 CO 0.19 0.17 1.30 0.00 -0.00 0.00 0.00 175.17 176.83 3k2m s ALA 27 N -1.08 3.32 0.62 2.11 0.00 -1.26 -4.78 121.76 120.68 3k2m s ALA 27 Ca 0.39 1.23 -0.14 0.00 0.00 0.00 0.00 51.96 53.43 3k2m s ALA 27 Cb -0.24 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 3k2m s ALA 27 CO 0.29 -0.76 1.06 -1.25 0.00 0.00 0.00 175.76 175.10 3k2m s PRO 28 N -2.12 3.22 0.64 0.00 0.04 -1.26 -5.01 135.00 130.51 3k2m s PRO 28 Ca 0.55 1.14 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 3k2m s PRO 28 Cb -0.38 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 3k2m s PRO 28 CO 0.49 -0.88 1.28 -1.64 0.04 0.00 0.00 177.00 176.29 3k2m s MET 29 N -4.31 2.61 0.42 4.56 -1.94 -1.26 -4.90 119.30 114.47 3k2m s MET 29 Ca 0.62 2.02 0.11 0.00 -1.71 0.00 0.00 55.69 56.73 3k2m s MET 29 Cb -0.15 -1.86 0.89 0.00 2.01 0.00 0.00 34.83 35.72 3k2m s MET 29 CO 0.41 -1.54 1.98 0.77 -0.01 0.00 0.00 175.02 176.64 3k2m h SER 30 N 0.59 0.21 0.34 3.03 0.02 -2.03 -1.73 113.55 113.99 3k2m h SER 30 Ca -0.51 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 3k2m h SER 30 Cb 1.33 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3k2m h SER 30 CO 0.53 0.30 0.00 -1.54 -1.14 0.00 0.00 176.83 174.98 3k2m n SER 31 N -4.35 0.22 0.01 3.07 3.41 -1.26 -2.11 113.62 112.60 3k2m n SER 31 Ca -0.01 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 3k2m n SER 31 Cb 0.20 -0.61 0.49 0.00 -0.26 0.00 0.00 64.21 64.03 3k2m n SER 31 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3k2m n SER 32 N -1.76 0.23 -3.99 4.04 7.64 -0.65 -4.96 113.62 114.17 3k2m n SER 32 Ca 0.02 0.31 -0.30 0.00 1.01 0.00 0.00 58.87 59.91 3k2m n SER 32 Cb 0.12 -0.32 -0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3k2m n SER 32 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3k2m n SER 33 N -1.60 -2.66 -4.73 6.43 7.64 -0.90 -4.68 113.62 113.12 3k2m n SER 33 Ca 0.06 -0.92 -0.41 0.00 1.01 0.00 0.00 58.87 58.61 3k2m n SER 33 Cb 0.35 -3.34 -0.04 0.00 -1.01 0.00 0.00 64.21 60.17 3k2m n SER 33 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3k2m s VAL 34 N -3.53 3.99 -0.12 0.44 1.01 -1.26 -2.66 120.40 118.28 3k2m s VAL 34 Ca 0.42 1.59 0.15 0.00 0.00 0.00 0.00 61.98 64.14 3k2m s VAL 34 Cb -0.22 -4.02 -0.21 0.00 0.00 0.00 0.00 36.38 31.93 3k2m s VAL 34 CO 0.87 0.21 0.14 -1.22 0.00 0.00 0.00 175.10 175.10 3k2m n TYR 35 N 3.01 0.00 -3.60 5.22 4.01 0.34 -4.72 117.16 121.42 3k2m n TYR 35 Ca 0.05 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.71 3k2m n TYR 35 Cb 0.47 -0.68 -0.02 0.00 -0.31 0.00 0.00 39.34 38.79 3k2m n TYR 35 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 3k2m s TYR 36 N -2.59 -0.32 0.04 -0.72 1.13 -1.20 -3.01 117.35 110.69 3k2m s TYR 36 Ca -0.07 0.07 0.06 0.00 -1.41 0.00 0.00 57.07 55.72 3k2m s TYR 36 Cb 0.06 0.59 -0.03 0.00 -1.10 0.00 0.00 41.96 41.48 3k2m s TYR 36 CO 0.66 -0.80 -0.15 0.71 -2.51 0.00 0.00 175.55 173.47 3k2m s TYR 37 N -3.45 2.65 -0.16 -3.49 1.51 0.06 -1.86 117.35 112.61 3k2m s TYR 37 Ca 0.07 -0.20 -0.04 0.00 -1.01 0.00 0.00 57.07 55.89 3k2m s TYR 37 Cb -0.02 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.32 3k2m s TYR 37 CO -0.05 0.30 -0.03 0.50 -1.11 0.00 0.00 175.55 175.16 3k2m s ARG 38 N -1.54 3.67 -0.14 -0.62 3.52 0.04 -1.09 118.95 122.78 3k2m s ARG 38 Ca 0.16 -0.52 -0.03 0.00 -0.13 0.00 0.00 55.73 55.21 3k2m s ARG 38 Cb -0.11 -2.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.32 3k2m s ARG 38 CO 0.07 0.21 -0.05 0.42 -0.81 0.00 0.00 175.30 175.14 3k2m s ILE 39 N 0.45 3.84 0.15 4.11 1.09 0.11 -0.39 121.20 130.56 3k2m s ILE 39 Ca -0.03 -0.38 0.09 0.00 -1.10 0.00 0.00 60.65 59.23 3k2m s ILE 39 Cb -0.14 -2.66 -0.04 0.00 -1.06 0.00 0.00 42.46 38.55 3k2m s ILE 39 CO 0.03 0.51 -0.21 0.42 -0.10 0.00 0.00 174.94 175.58 3k2m s THR 40 N 0.20 1.98 -0.21 2.92 -4.23 0.34 -1.60 115.64 115.04 3k2m s THR 40 Ca -0.03 -1.83 -0.18 0.00 -1.18 0.00 0.00 61.69 58.47 3k2m s THR 40 Cb -0.14 -1.86 0.06 0.00 1.34 0.00 0.00 72.50 71.90 3k2m s THR 40 CO 0.03 -0.15 0.55 -0.72 -0.54 0.00 0.00 174.62 173.79 3k2m s TYR 41 N -1.60 -0.63 0.13 3.99 1.13 -0.62 -1.07 117.35 118.68 3k2m s TYR 41 Ca 0.14 1.50 -0.16 0.00 -1.41 0.00 0.00 57.07 57.15 3k2m s TYR 41 Cb -0.08 0.24 0.06 0.00 -1.10 0.00 0.00 41.96 41.07 3k2m s TYR 41 CO 0.07 -0.31 0.76 0.41 -2.51 0.00 0.00 175.55 173.97 3k2m n GLY 42 N 2.97 0.77 3.77 5.49 0.00 -1.02 -0.91 105.19 116.26 3k2m n GLY 42 Ca -0.15 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 3k2m n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k2m s GLU 43 N -2.04 4.19 0.20 1.61 2.02 -1.26 -0.16 118.70 123.26 3k2m s GLU 43 Ca 0.17 1.71 -0.31 0.00 0.02 0.00 0.00 54.97 56.56 3k2m s GLU 43 Cb -0.02 -2.71 -0.10 0.00 0.10 0.00 0.00 34.13 31.40 3k2m s GLU 43 CO 0.04 -0.17 1.49 0.99 0.02 0.00 0.00 175.26 177.63 3k2m s THR 44 N -1.46 2.71 0.00 3.63 2.01 -1.08 -4.58 115.64 116.87 3k2m s THR 44 Ca 0.55 0.55 0.00 0.00 0.31 0.00 0.00 61.69 63.10 3k2m s THR 44 Cb -0.28 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 68.88 3k2m s THR 44 CO 0.35 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 3k2m n GLY 45 N 3.00 0.01 2.40 4.40 0.00 -1.26 -4.97 105.19 108.77 3k2m n GLY 45 Ca 0.10 -1.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.20 3k2m n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2m n GLY 46 N 0.14 -0.04 3.98 -0.02 0.00 -1.26 -2.86 105.19 105.13 3k2m n GLY 46 Ca 0.00 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 3k2m n GLY 46 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k2m n ASN 47 N -1.61 -2.05 -4.88 1.61 3.02 -1.26 -4.91 115.26 105.17 3k2m n ASN 47 Ca -0.22 -1.12 -0.30 0.00 -0.03 0.00 0.00 54.58 52.90 3k2m n ASN 47 Cb 0.67 -2.56 0.01 0.00 -0.61 0.00 0.00 39.78 37.28 3k2m n ASN 47 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3k2m s SER 48 N -3.99 6.24 0.58 6.41 0.01 -1.13 -5.00 113.70 116.82 3k2m s SER 48 Ca 0.22 1.27 -0.20 0.00 1.31 0.00 0.00 55.95 58.54 3k2m s SER 48 Cb -0.10 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 3k2m s SER 48 CO 0.92 -0.78 1.33 -2.16 0.41 0.00 0.00 173.24 172.97 3k2m s PRO 49 N -5.04 2.92 0.15 12.44 0.04 -1.26 -4.88 135.00 139.37 3k2m s PRO 49 Ca 0.53 2.17 0.10 0.00 0.04 0.00 0.00 61.00 63.84 3k2m s PRO 49 Cb -0.11 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 3k2m s PRO 49 CO 0.51 -1.34 -0.24 0.14 0.04 0.00 0.00 177.00 176.11 3k2m s VAL 50 N -1.34 2.16 0.37 -0.36 -7.23 -1.26 -4.35 120.40 108.39 3k2m s VAL 50 Ca 0.76 -1.83 -0.06 0.00 -1.81 0.00 0.00 61.98 59.04 3k2m s VAL 50 Cb -0.39 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 3k2m s VAL 50 CO 0.45 -0.05 0.66 -1.10 -0.31 0.00 0.00 175.10 174.75 3k2m s GLN 51 N -2.32 3.63 0.10 4.82 -1.52 -0.09 -4.89 119.66 119.40 3k2m s GLN 51 Ca 0.15 0.12 -0.11 0.00 -1.95 0.00 0.00 55.36 53.58 3k2m s GLN 51 Cb -0.09 -2.52 0.01 0.00 -0.22 0.00 0.00 33.01 30.19 3k2m s GLN 51 CO 0.07 0.05 0.26 -1.83 -0.25 0.00 0.00 175.29 173.59 3k2m s GLU 52 N -3.98 0.93 0.22 2.91 -1.05 -1.26 -1.58 118.70 114.88 3k2m s GLU 52 Ca 0.46 -0.88 -0.19 0.00 -0.15 0.00 0.00 54.97 54.20 3k2m s GLU 52 Cb -0.10 0.39 0.03 0.00 -0.44 0.00 0.00 34.13 34.00 3k2m s GLU 52 CO 0.34 -0.32 0.60 -0.59 0.95 0.00 0.00 175.26 176.24 3k2m s PHE 53 N -3.85 -0.20 0.11 4.83 -0.12 -0.63 -5.00 117.98 113.13 3k2m s PHE 53 Ca 0.05 -0.15 0.08 0.00 -0.05 0.00 0.00 56.93 56.86 3k2m s PHE 53 Cb 0.04 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 3k2m s PHE 53 CO -0.11 -1.01 -0.15 0.95 -0.05 0.00 0.00 175.22 174.85 3k2m s THR 54 N -3.87 3.02 0.15 -4.49 -4.23 -1.26 0.08 115.64 105.05 3k2m s THR 54 Ca 0.09 -1.42 0.08 0.00 -1.18 0.00 0.00 61.69 59.25 3k2m s THR 54 Cb -0.03 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 3k2m s THR 54 CO -0.01 0.11 -0.17 0.68 -0.54 0.00 0.00 174.62 174.68 3k2m s VAL 55 N -1.17 1.69 0.86 2.29 -7.23 -0.25 -4.97 120.40 111.62 3k2m s VAL 55 Ca 0.19 -1.88 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 3k2m s VAL 55 Cb -0.11 -1.77 0.11 0.00 0.56 0.00 0.00 36.38 35.17 3k2m s VAL 55 CO 0.11 -0.35 1.09 -2.16 -0.31 0.00 0.00 175.10 173.48 3k2m s PRO 56 N -2.80 1.56 0.64 4.82 0.04 -1.26 -0.76 135.00 137.24 3k2m s PRO 56 Ca 0.14 0.89 0.41 0.00 0.04 0.00 0.00 61.00 62.49 3k2m s PRO 56 Cb -0.05 -1.84 2.22 0.00 0.04 0.00 0.00 34.50 34.87 3k2m s PRO 56 CO 0.06 -2.05 2.31 0.10 0.04 0.00 0.00 177.00 177.46 3k2m h TYR 57 N -1.41 0.00 -0.00 0.56 -0.00 -1.82 -1.39 116.97 112.90 3k2m h TYR 57 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.25 3k2m h TYR 57 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.00 3k2m h TYR 57 CO 0.47 0.01 -0.02 -1.13 -0.00 0.00 0.00 178.16 177.48 3k2m n SER 58 N -3.20 0.27 -4.88 0.10 3.41 -1.26 -4.77 113.62 103.29 3k2m n SER 58 Ca -0.03 -0.78 -0.36 0.00 -0.26 0.00 0.00 58.87 57.44 3k2m n SER 58 Cb 0.10 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 3k2m n SER 58 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3k2m s SER 59 N -2.22 6.51 -0.07 4.04 0.01 -0.53 -4.99 113.70 116.46 3k2m s SER 59 Ca 0.39 0.60 0.11 0.00 1.31 0.00 0.00 55.95 58.35 3k2m s SER 59 Cb 0.21 -2.11 0.19 0.00 0.21 0.00 0.00 66.02 64.52 3k2m s SER 59 CO 0.41 0.31 1.09 -1.54 0.41 0.00 0.00 173.24 173.92 3k2m n SER 60 N 1.46 1.24 -3.81 2.44 3.41 -1.26 -4.93 113.62 112.18 3k2m n SER 60 Ca -0.14 -2.62 -0.09 0.00 -0.26 0.00 0.00 58.87 55.75 3k2m n SER 60 Cb 0.53 -0.33 -0.07 0.00 -0.26 0.00 0.00 64.21 64.08 3k2m n SER 60 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3k2m s THR 61 N -1.52 0.13 0.21 6.66 2.01 -1.26 -1.09 115.64 120.78 3k2m s THR 61 Ca 0.19 -1.03 -0.20 0.00 0.31 0.00 0.00 61.69 60.96 3k2m s THR 61 Cb 0.18 -1.28 0.04 0.00 0.01 0.00 0.00 72.50 71.44 3k2m s THR 61 CO -0.00 -0.57 0.59 0.00 -0.69 0.00 0.00 174.62 173.95 3k2m s ALA 62 N -3.78 -1.15 0.14 7.40 0.00 -0.48 -4.99 121.76 118.90 3k2m s ALA 62 Ca 0.04 -0.09 0.08 0.00 0.00 0.00 0.00 51.96 51.99 3k2m s ALA 62 Cb 0.04 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 3k2m s ALA 62 CO -0.11 -0.86 -0.10 0.95 0.00 0.00 0.00 175.76 175.64 3k2m s THR 63 N -3.86 3.26 -0.10 0.00 -4.23 -1.26 -1.06 115.64 108.39 3k2m s THR 63 Ca 0.08 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.13 3k2m s THR 63 Cb -0.02 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.26 3k2m s THR 63 CO -0.02 -0.00 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.29 3k2m s ILE 64 N -1.46 1.31 0.42 2.99 1.01 -0.50 -4.97 121.20 120.00 3k2m s ILE 64 Ca 0.23 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.40 3k2m s ILE 64 Cb -0.10 -1.22 -0.06 0.00 0.01 0.00 0.00 42.46 41.10 3k2m s ILE 64 CO 0.14 0.40 0.03 -0.44 0.00 0.00 0.00 174.94 175.07 3k2m s SER 65 N 1.04 3.58 -0.48 3.58 0.01 -1.26 -0.93 113.70 119.24 3k2m s SER 65 Ca -0.06 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 55.73 3k2m s SER 65 Cb -0.15 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.05 3k2m s SER 65 CO -0.02 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.62 3k2m n GLY 66 N -0.99 0.68 3.88 3.44 0.00 -0.83 -4.94 105.19 106.43 3k2m n GLY 66 Ca -0.08 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 3k2m n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k2m s LEU 67 N -1.09 3.39 -0.16 0.99 1.43 -0.14 -5.06 118.68 118.05 3k2m s LEU 67 Ca 0.00 1.23 -0.20 0.00 -1.03 0.00 0.00 54.13 54.13 3k2m s LEU 67 Cb 0.00 -4.24 -0.03 0.00 0.03 0.00 0.00 46.19 41.95 3k2m s LEU 67 CO 0.00 -0.75 0.56 -0.44 0.23 0.00 0.00 176.35 175.95 3k2m s SER 68 N -4.13 6.68 0.26 2.29 0.01 -1.26 -4.48 113.70 113.06 3k2m s SER 68 Ca 0.52 0.81 -0.31 0.00 1.31 0.00 0.00 55.95 58.29 3k2m s SER 68 Cb -0.11 -2.32 -0.13 0.00 0.21 0.00 0.00 66.02 63.67 3k2m s SER 68 CO 0.50 -0.15 1.40 -2.65 0.41 0.00 0.00 173.24 172.75 3k2m n PRO 69 N 4.47 2.09 0.00 12.44 -0.02 -1.22 -2.61 135.00 150.15 3k2m n PRO 69 Ca -0.04 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3k2m n PRO 69 Cb 0.51 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3k2m n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k2m n GLY 70 N 1.98 2.88 3.75 -1.23 0.00 -1.04 -4.97 105.19 106.56 3k2m n GLY 70 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3k2m n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k2m s VAL 71 N -1.84 4.18 -0.04 1.61 1.01 -1.07 -4.79 120.40 119.45 3k2m s VAL 71 Ca 0.00 2.07 -0.30 0.00 0.00 0.00 0.00 61.98 63.75 3k2m s VAL 71 Cb 0.00 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3k2m s VAL 71 CO 0.00 0.46 1.15 -1.81 0.00 0.00 0.00 175.10 174.90 3k2m s ASP 72 N -0.93 7.12 0.11 3.32 1.01 -1.26 -4.36 116.67 121.68 3k2m s ASP 72 Ca 0.42 1.78 0.09 0.00 0.71 0.00 0.00 52.55 55.55 3k2m s ASP 72 Cb -0.25 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.08 3k2m s ASP 72 CO 0.31 -0.51 -0.18 -0.31 0.21 0.00 0.00 175.17 174.69 3k2m s TYR 73 N 1.89 2.53 -0.19 4.23 1.51 0.62 -2.63 117.35 125.31 3k2m s TYR 73 Ca 0.55 -0.27 -0.06 0.00 -1.01 0.00 0.00 57.07 56.28 3k2m s TYR 73 Cb -0.24 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 3k2m s TYR 73 CO 0.23 0.38 0.03 0.99 -1.11 0.00 0.00 175.55 176.07 3k2m s THR 74 N -1.13 4.36 -0.15 -0.71 2.01 0.77 -0.80 115.64 119.99 3k2m s THR 74 Ca 0.18 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 3k2m s THR 74 Cb -0.11 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 3k2m s THR 74 CO 0.10 0.44 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.77 3k2m s ILE 75 N 0.71 3.55 0.00 1.82 1.09 0.07 -2.44 121.20 126.00 3k2m s ILE 75 Ca 0.02 -0.48 0.05 0.00 -1.10 0.00 0.00 60.65 59.14 3k2m s ILE 75 Cb -0.14 -2.54 -0.02 0.00 -1.06 0.00 0.00 42.46 38.71 3k2m s ILE 75 CO 0.02 0.50 -0.17 -0.89 -0.10 0.00 0.00 174.94 174.30 3k2m s THR 76 N 0.48 1.34 -0.14 2.92 2.01 -0.23 -1.39 115.64 120.62 3k2m s THR 76 Ca -0.06 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.14 3k2m s THR 76 Cb -0.15 -1.14 0.02 0.00 0.01 0.00 0.00 72.50 71.24 3k2m s THR 76 CO 0.03 0.30 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.39 3k2m s VAL 77 N -0.51 1.83 0.06 3.82 1.01 -0.30 -0.50 120.40 125.81 3k2m s VAL 77 Ca 0.06 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.25 3k2m s VAL 77 Cb -0.07 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3k2m s VAL 77 CO -0.00 0.50 -0.01 -0.31 0.00 0.00 0.00 175.10 175.29 3k2m s TYR 78 N 1.11 3.01 -0.10 5.22 1.51 0.48 -1.93 117.35 126.64 3k2m s TYR 78 Ca -0.02 0.00 0.03 0.00 -1.01 0.00 0.00 57.07 56.08 3k2m s TYR 78 Cb -0.14 -1.58 -0.00 0.00 -0.11 0.00 0.00 41.96 40.12 3k2m s TYR 78 CO -0.06 0.46 -0.21 0.00 -1.11 0.00 0.00 175.55 174.63 3k2m s ALA 79 N -1.22 2.30 -0.17 3.71 0.00 -1.25 -0.78 121.76 124.35 3k2m s ALA 79 Ca 0.23 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 3k2m s ALA 79 Cb -0.12 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 3k2m s ALA 79 CO 0.15 0.29 -0.06 -1.58 0.00 0.00 0.00 175.76 174.56 3k2m s TRP 80 N 0.29 2.94 0.46 0.00 0.52 -0.78 -1.25 118.94 121.13 3k2m s TRP 80 Ca -0.15 -0.61 0.04 0.00 0.02 0.00 0.00 56.10 55.40 3k2m s TRP 80 Cb -0.17 -1.98 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 3k2m s TRP 80 CO 0.08 -0.26 0.05 0.20 0.02 0.00 0.00 176.95 177.03 3k2m s GLY 81 N 0.76 2.71 -0.10 0.98 0.00 -0.10 -0.51 107.32 111.07 3k2m s GLY 81 Ca -0.03 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.33 3k2m s GLY 81 CO 0.02 -2.11 -0.24 1.85 0.00 0.00 0.00 173.10 172.62 3k2m s GLU 82 N -3.83 3.02 0.78 2.90 2.12 -1.09 -0.65 118.70 121.95 3k2m s GLU 82 Ca 0.23 -0.88 -0.04 0.00 0.36 0.00 0.00 54.97 54.64 3k2m s GLU 82 Cb 0.05 -2.30 0.14 0.00 0.26 0.00 0.00 34.13 32.28 3k2m s GLU 82 CO 0.12 0.20 1.07 0.16 -0.54 0.00 0.00 175.26 176.27 3k2m s ASP 83 N 0.30 4.07 0.44 -1.70 1.47 0.11 -4.89 116.67 116.48 3k2m s ASP 83 Ca -0.18 -0.20 0.30 0.00 1.18 0.00 0.00 52.55 53.66 3k2m s ASP 83 Cb -0.18 -0.11 1.46 0.00 -0.34 0.00 0.00 42.92 43.76 3k2m s ASP 83 CO 0.09 -2.06 1.92 0.77 0.68 0.00 0.00 175.17 176.57 3k2m h SER 84 N -0.79 0.00 -0.07 2.11 4.64 -2.01 -0.01 113.55 117.42 3k2m h SER 84 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3k2m h SER 84 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3k2m h SER 84 CO 0.40 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.36 3k2m n ALA 85 N -1.92 2.57 -1.49 5.18 0.00 -1.26 -4.94 120.51 118.65 3k2m n ALA 85 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3k2m n ALA 85 Cb 0.16 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3k2m n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k2m n GLY 86 N 1.12 0.38 3.49 0.00 0.00 -0.02 -5.06 105.19 105.10 3k2m n GLY 86 Ca 0.18 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 3k2m n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k2m s TYR 87 N -2.00 2.62 0.49 1.61 1.51 -1.26 -4.88 117.35 115.45 3k2m s TYR 87 Ca 0.00 -0.22 -0.20 0.00 -1.01 0.00 0.00 57.07 55.64 3k2m s TYR 87 Cb 0.00 -1.47 -0.08 0.00 -0.11 0.00 0.00 41.96 40.30 3k2m s TYR 87 CO 0.00 0.29 1.05 -1.64 -1.11 0.00 0.00 175.55 174.14 3k2m s MET 88 N -1.55 3.75 0.16 -0.62 -1.94 -1.26 -0.71 119.30 117.12 3k2m s MET 88 Ca 0.16 1.39 -0.13 0.00 -1.71 0.00 0.00 55.69 55.40 3k2m s MET 88 Cb -0.11 -2.08 0.01 0.00 2.01 0.00 0.00 34.83 34.66 3k2m s MET 88 CO 0.07 -0.48 0.36 -0.59 -0.01 0.00 0.00 175.02 174.36 3k2m s PHE 89 N -1.96 0.10 -0.17 -0.03 -0.71 0.17 -4.88 117.98 110.51 3k2m s PHE 89 Ca 0.68 -0.46 -0.05 0.00 -1.04 0.00 0.00 56.93 56.06 3k2m s PHE 89 Cb -0.17 0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.74 3k2m s PHE 89 CO 0.21 -0.75 -0.00 1.41 -1.34 0.00 0.00 175.22 174.74 3k2m s MET 90 N -3.90 3.75 0.79 1.99 1.75 -1.26 -0.92 119.30 121.50 3k2m s MET 90 Ca 0.11 -0.47 -0.11 0.00 -1.25 0.00 0.00 55.69 53.96 3k2m s MET 90 Cb 0.02 -3.03 0.07 0.00 2.84 0.00 0.00 34.83 34.73 3k2m s MET 90 CO -0.05 0.21 1.09 0.71 -0.65 0.00 0.00 175.02 176.33 3k2m s TYR 91 N 0.48 2.77 0.09 4.11 2.02 -0.38 -4.95 117.35 121.48 3k2m s TYR 91 Ca -0.01 1.25 -0.31 0.00 -0.37 0.00 0.00 57.07 57.63 3k2m s TYR 91 Cb -0.14 -3.08 -0.07 0.00 -0.40 0.00 0.00 41.96 38.27 3k2m s TYR 91 CO 0.02 -1.79 1.42 0.45 -1.57 0.00 0.00 175.55 174.09 3k2m s SER 92 N -3.76 6.80 0.72 2.29 0.15 0.04 -4.60 113.70 115.34 3k2m s SER 92 Ca 0.61 2.30 -0.07 0.00 0.70 0.00 0.00 55.95 59.49 3k2m s SER 92 Cb -0.15 -2.58 0.07 0.00 -1.71 0.00 0.00 66.02 61.65 3k2m s SER 92 CO 0.55 -0.70 1.04 -2.16 1.20 0.00 0.00 173.24 173.17 3k2m s PRO 93 N 1.56 2.13 0.03 5.44 0.04 -1.26 -2.43 135.00 140.51 3k2m s PRO 93 Ca 0.65 -0.23 0.08 0.00 0.04 0.00 0.00 61.00 61.55 3k2m s PRO 93 Cb -0.36 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 3k2m s PRO 93 CO 0.30 -1.31 -0.24 -1.50 0.04 0.00 0.00 177.00 174.29 3k2m s ILE 94 N -3.30 2.33 0.04 0.56 2.07 -0.81 -4.92 121.20 117.18 3k2m s ILE 94 Ca 0.61 -1.27 -0.04 0.00 -1.41 0.00 0.00 60.65 58.53 3k2m s ILE 94 Cb -0.11 -1.92 -0.02 0.00 0.13 0.00 0.00 42.46 40.55 3k2m s ILE 94 CO 0.45 0.40 0.07 -0.94 -1.91 0.00 0.00 174.94 173.01 3k2m s SER 95 N -1.18 0.24 0.02 4.50 1.04 -1.26 -1.15 113.70 115.91 3k2m s SER 95 Ca 0.12 -0.63 -0.08 0.00 0.48 0.00 0.00 55.95 55.85 3k2m s SER 95 Cb -0.10 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3k2m s SER 95 CO 0.02 -0.52 0.16 -0.51 0.98 0.00 0.00 173.24 173.37 3k2m s ILE 96 N -2.83 0.10 -0.09 -1.02 2.07 -0.49 -5.00 121.20 113.95 3k2m s ILE 96 Ca -0.03 -0.82 -0.04 0.00 -1.41 0.00 0.00 60.65 58.34 3k2m s ILE 96 Cb 0.00 -0.69 -0.04 0.00 0.13 0.00 0.00 42.46 41.87 3k2m s ILE 96 CO -0.06 -0.45 0.09 0.20 -1.91 0.00 0.00 174.94 172.81 3k2m s ASN 97 N -1.75 5.96 0.16 4.50 0.01 -1.26 -0.75 114.94 121.80 3k2m s ASN 97 Ca -0.10 0.33 -0.20 0.00 -0.71 0.00 0.00 52.86 52.18 3k2m s ASN 97 Cb -0.04 -1.84 0.05 0.00 0.41 0.00 0.00 41.25 39.83 3k2m s ASN 97 CO -0.01 0.38 0.54 -0.47 -1.51 0.00 0.00 177.10 176.02 3k2m s TYR 98 N -1.02 -0.36 0.01 2.20 5.04 0.02 -4.98 117.35 118.26 3k2m s TYR 98 Ca 0.16 0.08 -0.05 0.00 -2.44 0.00 0.00 57.07 54.82 3k2m s TYR 98 Cb -0.12 0.46 -0.01 0.00 0.35 0.00 0.00 41.96 42.64 3k2m s TYR 98 CO 0.05 -0.84 0.09 -0.98 -1.34 0.00 0.00 175.55 172.53 3k2m s ARG 99 N -3.80 0.45 0.74 4.97 1.70 -1.26 -0.28 118.95 121.48 3k2m s ARG 99 Ca 0.03 -0.50 -0.11 0.00 -0.47 0.00 0.00 55.73 54.68 3k2m s ARG 99 Cb -0.00 0.18 0.03 0.00 -0.57 0.00 0.00 34.95 34.59 3k2m s ARG 99 CO -0.10 -0.10 1.08 0.95 -1.08 0.00 0.00 175.30 176.05 3k2m s THR 100 N -1.57 3.58 0.00 4.99 -4.23 -1.26 -4.86 115.64 112.29 3k2m s THR 100 Ca -0.14 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 3k2m s THR 100 Cb -0.07 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.49 3k2m s THR 100 CO 0.00 -0.67 0.00 0.00 -0.54 0.00 0.00 174.62 173.41