#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r1y s ILE 2 N 0.00 4.39 -0.17 2.12 1.01 -1.26 -4.87 121.20 122.42 2r1y s ILE 2 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.59 2r1y s ILE 2 Cb 0.00 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 2r1y s ILE 2 CO 0.00 -0.21 0.41 -0.69 0.00 0.00 0.00 174.94 174.46 2r1y s VAL 3 N 1.52 5.21 -0.15 2.92 1.01 -1.26 -4.89 120.40 124.75 2r1y s VAL 3 Ca 0.01 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 62.75 2r1y s VAL 3 Cb -0.19 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2r1y s VAL 3 CO 0.06 0.29 -0.08 -0.04 0.00 0.00 0.00 175.10 175.32 2r1y s MET 4 N 0.98 3.48 -0.00 2.72 -1.94 -1.26 -1.07 119.30 122.21 2r1y s MET 4 Ca 0.21 -0.62 0.04 0.00 -1.71 0.00 0.00 55.69 53.61 2r1y s MET 4 Cb -0.15 -2.79 -0.01 0.00 2.01 0.00 0.00 34.83 33.89 2r1y s MET 4 CO 0.08 0.15 -0.13 -1.12 -0.01 0.00 0.00 175.02 173.99 2r1y s SER 5 N 0.56 1.48 0.20 3.03 0.01 -0.07 -4.24 113.70 114.67 2r1y s SER 5 Ca -0.06 -0.27 0.11 0.00 1.31 0.00 0.00 55.95 57.05 2r1y s SER 5 Cb -0.15 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 2r1y s SER 5 CO 0.03 0.13 -0.23 -1.10 0.41 0.00 0.00 173.24 172.48 2r1y s GLN 6 N -0.45 1.51 -0.06 12.44 -0.21 -1.26 -0.26 119.66 131.37 2r1y s GLN 6 Ca 0.04 -1.54 -0.08 0.00 0.02 0.00 0.00 55.36 53.80 2r1y s GLN 6 Cb -0.05 -1.79 0.02 0.00 1.00 0.00 0.00 33.01 32.18 2r1y s GLN 6 CO -0.00 0.38 0.21 0.45 -2.12 0.00 0.00 175.29 174.21 2r1y s SER 7 N -2.76 -0.18 0.97 5.90 0.15 -0.68 -4.60 113.70 112.50 2r1y s SER 7 Ca 0.21 0.30 -0.15 0.00 0.70 0.00 0.00 55.95 57.01 2r1y s SER 7 Cb -0.07 0.39 0.18 0.00 -1.71 0.00 0.00 66.02 64.81 2r1y s SER 7 CO 0.10 -0.15 1.22 -2.16 1.20 0.00 0.00 173.24 173.45 2r1y s PRO 8 N -0.24 0.64 0.17 5.44 0.04 -1.26 -0.15 135.00 139.64 2r1y s PRO 8 Ca -0.03 -0.11 -0.10 0.00 0.04 0.00 0.00 61.00 60.80 2r1y s PRO 8 Cb -0.03 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.73 2r1y s PRO 8 CO 0.01 -2.46 1.58 0.77 0.04 0.00 0.00 177.00 176.94 2r1y h SER 9 N -1.68 1.04 -5.02 6.66 0.02 -1.84 -3.40 113.55 109.33 2r1y h SER 9 Ca -0.46 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.11 2r1y h SER 9 Cb 1.28 -0.28 -0.12 0.00 0.14 0.00 0.00 62.40 63.42 2r1y h SER 9 CO 0.47 1.16 0.15 -0.94 -1.14 0.00 0.00 176.83 176.53 2r1y s SER 10 N -6.68 -0.48 0.11 3.07 1.04 -1.26 -1.14 113.70 108.37 2r1y s SER 10 Ca -0.11 -0.11 -0.25 0.00 0.48 0.00 0.00 55.95 55.95 2r1y s SER 10 Cb 0.13 0.58 0.07 0.00 0.10 0.00 0.00 66.02 66.90 2r1y s SER 10 CO 0.87 -0.97 0.79 -1.48 0.98 0.00 0.00 173.24 173.43 2r1y s LEU 11 N -2.77 -0.38 -0.03 2.42 2.34 -0.79 -4.93 118.68 114.54 2r1y s LEU 11 Ca 0.02 -0.16 0.05 0.00 0.06 0.00 0.00 54.13 54.11 2r1y s LEU 11 Cb -0.01 2.32 -0.01 0.00 -0.56 0.00 0.00 46.19 47.94 2r1y s LEU 11 CO -0.11 -0.88 -0.19 0.00 -1.06 0.00 0.00 176.35 174.11 2r1y s ALA 12 N -3.45 1.61 0.01 1.48 0.00 -1.26 -0.84 121.76 119.30 2r1y s ALA 12 Ca 0.06 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.24 2r1y s ALA 12 Cb -0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 2r1y s ALA 12 CO -0.06 0.35 -0.04 0.54 0.00 0.00 0.00 175.76 176.55 2r1y s VAL 13 N -0.25 0.27 0.40 0.00 0.11 -0.83 -4.78 120.40 115.31 2r1y s VAL 13 Ca 0.03 -0.51 -0.23 0.00 -2.93 0.00 0.00 61.98 58.34 2r1y s VAL 13 Cb -0.09 -0.30 -0.10 0.00 -1.53 0.00 0.00 36.38 34.35 2r1y s VAL 13 CO 0.01 -0.16 0.96 -0.44 -3.33 0.00 0.00 175.10 172.13 2r1y s SER 14 N -0.71 7.03 0.27 3.54 0.01 -1.26 -1.02 113.70 121.56 2r1y s SER 14 Ca -0.05 1.77 -0.29 0.00 1.31 0.00 0.00 55.95 58.68 2r1y s SER 14 Cb -0.05 -2.56 -0.14 0.00 0.21 0.00 0.00 66.02 63.49 2r1y s SER 14 CO -0.00 -0.29 1.16 0.00 0.41 0.00 0.00 173.24 174.52 2r1y n ALA 15 N -0.23 0.23 0.00 1.44 0.00 -1.25 -1.63 120.51 119.07 2r1y n ALA 15 Ca 0.05 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2r1y n ALA 15 Cb 0.52 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.86 2r1y n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r1y n GLY 16 N 1.43 1.89 3.97 0.00 0.00 0.11 -4.91 105.19 107.68 2r1y n GLY 16 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 2r1y n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r1y s GLU 17 N -0.47 2.58 0.13 1.61 0.41 -0.64 -3.99 118.70 118.33 2r1y s GLU 17 Ca 0.00 -0.79 -0.22 0.00 -0.41 0.00 0.00 54.97 53.55 2r1y s GLU 17 Cb 0.00 -2.51 -0.07 0.00 -1.78 0.00 0.00 34.13 29.77 2r1y s GLU 17 CO 0.00 -0.67 0.67 0.21 -0.49 0.00 0.00 175.26 174.99 2r1y s LYS 18 N -4.73 4.37 -0.06 1.61 2.20 -1.26 -1.10 119.74 120.77 2r1y s LYS 18 Ca 0.57 0.94 0.04 0.00 -0.36 0.00 0.00 55.97 57.15 2r1y s LYS 18 Cb -0.10 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 2r1y s LYS 18 CO 0.38 0.59 -0.17 0.08 -0.36 0.00 0.00 175.35 175.87 2r1y s VAL 19 N -1.16 2.78 -0.08 4.02 1.01 0.61 -4.99 120.40 122.60 2r1y s VAL 19 Ca 0.33 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2r1y s VAL 19 Cb -0.21 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.11 2r1y s VAL 19 CO 0.22 0.57 -0.08 -0.89 0.00 0.00 0.00 175.10 174.92 2r1y s THR 20 N -0.41 0.95 0.05 3.92 2.01 -1.26 -0.70 115.64 120.20 2r1y s THR 20 Ca 0.04 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2r1y s THR 20 Cb -0.12 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 2r1y s THR 20 CO 0.02 0.33 -0.06 0.00 -0.69 0.00 0.00 174.62 174.22 2r1y s MET 21 N 1.19 0.55 0.26 4.92 0.23 -0.56 -4.79 119.30 121.10 2r1y s MET 21 Ca -0.05 -0.90 0.09 0.00 -1.03 0.00 0.00 55.69 53.80 2r1y s MET 21 Cb -0.14 -0.11 -0.05 0.00 -1.53 0.00 0.00 34.83 33.00 2r1y s MET 21 CO -0.02 -0.01 -0.13 -1.54 -2.03 0.00 0.00 175.02 171.29 2r1y s SER 22 N -2.02 3.04 -0.08 -1.18 1.04 0.79 -1.27 113.70 114.02 2r1y s SER 22 Ca -0.05 -1.09 -0.03 0.00 0.48 0.00 0.00 55.95 55.26 2r1y s SER 22 Cb -0.05 -0.22 0.04 0.00 0.10 0.00 0.00 66.02 65.90 2r1y s SER 22 CO -0.02 -0.16 0.16 0.00 0.98 0.00 0.00 173.24 174.20 2r1y s LYS 24 N 1.70 2.45 0.07 0.00 2.20 0.64 -0.78 119.74 126.01 2r1y s LYS 24 Ca -0.04 -0.82 0.04 0.00 -0.36 0.00 0.00 55.97 54.79 2r1y s LYS 24 Cb -0.12 -2.23 -0.04 0.00 -1.51 0.00 0.00 37.83 33.93 2r1y s LYS 24 CO -0.06 0.52 -0.01 -1.54 -0.36 0.00 0.00 175.35 173.90 2r1y s SER 25 N -0.48 5.01 0.17 1.43 1.04 0.04 -0.89 113.70 120.02 2r1y s SER 25 Ca 0.06 -0.14 0.24 0.00 0.48 0.00 0.00 55.95 56.59 2r1y s SER 25 Cb -0.12 -1.21 0.91 0.00 0.10 0.00 0.00 66.02 65.70 2r1y s SER 25 CO 0.01 0.20 1.74 -1.54 0.98 0.00 0.00 173.24 174.63 2r1y n SER 26 N 0.81 0.56 -4.09 7.02 3.41 -0.23 -4.73 113.62 116.36 2r1y n SER 26 Ca -0.12 0.59 -0.14 0.00 -0.26 0.00 0.00 58.87 58.95 2r1y n SER 26 Cb 0.52 -0.73 -0.11 0.00 -0.26 0.00 0.00 64.21 63.63 2r1y n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2r1y s GLN 27 N -3.15 0.61 0.32 4.33 -0.21 -1.26 -4.96 119.66 115.33 2r1y s GLN 27 Ca 0.08 -0.86 -0.29 0.00 0.02 0.00 0.00 55.36 54.31 2r1y s GLN 27 Cb 0.12 -0.37 -0.12 0.00 1.00 0.00 0.00 33.01 33.65 2r1y s GLN 27 CO 0.47 0.06 1.56 0.45 -2.12 0.00 0.00 175.29 175.71 2r1y n SER 28 N 1.24 3.79 -1.01 5.90 2.88 -1.26 -4.63 113.62 120.53 2r1y n SER 28 Ca -0.21 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 58.61 2r1y n SER 28 Cb 0.55 -1.60 0.26 0.00 -0.75 0.00 0.00 64.21 62.68 2r1y n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2r1y n LEU 29 N 1.66 3.00 -4.57 2.46 4.77 0.18 -4.89 117.00 119.61 2r1y n LEU 29 Ca 0.06 -1.36 -0.42 0.00 -0.03 0.00 0.00 56.01 54.26 2r1y n LEU 29 Cb 0.37 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2r1y n LEU 29 CO 0.64 0.68 1.09 -0.22 -1.33 0.00 0.00 177.39 178.25 2r1y s LEU 30 N -1.34 3.41 -0.21 2.23 2.96 -1.26 -1.41 118.68 123.06 2r1y s LEU 30 Ca 0.38 -0.04 -0.29 0.00 -0.22 0.00 0.00 54.13 53.96 2r1y s LEU 30 Cb 0.21 -3.01 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 2r1y s LEU 30 CO 0.29 -1.56 1.36 0.21 -1.32 0.00 0.00 176.35 175.33 2r1y s ASN 30 N 3.14 6.75 0.44 3.68 3.84 -0.34 -4.92 114.94 127.54 2r1y s ASN 30 Ca 0.41 1.56 0.21 0.00 0.21 0.00 0.00 52.86 55.25 2r1y s ASN 30 Cb -0.08 -2.54 1.00 0.00 -0.55 0.00 0.00 41.25 39.08 2r1y s ASN 30 CO 0.23 -0.95 1.89 0.77 -2.79 0.00 0.00 177.10 176.25 2r1y h SER 30 N 9.02 0.00 0.00 -4.21 4.64 -1.94 0.20 113.55 121.27 2r1y h SER 30 Ca -0.28 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.80 2r1y h SER 30 Cb 1.11 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.22 2r1y h SER 30 CO 0.99 0.26 -0.95 -0.09 -0.87 0.00 0.00 176.83 176.18 2r1y h ARG 30 N 0.00 0.63 0.00 4.77 2.43 -1.97 -3.34 114.38 116.91 2r1y h ARG 30 Ca -0.00 -0.69 0.00 0.00 -0.81 0.00 0.00 59.98 58.48 2r1y h ARG 30 Cb 0.62 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2r1y h ARG 30 CO 0.03 1.28 -1.25 0.25 -1.51 0.00 0.00 179.97 178.78 2r1y n THR 30 N -3.94 0.00 -2.01 0.20 -2.24 -1.20 -4.99 114.28 100.10 2r1y n THR 30 Ca -0.11 -0.14 -0.18 0.00 -2.27 0.00 0.00 64.05 61.34 2r1y n THR 30 Cb 0.84 0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 2r1y n THR 30 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2r1y n ARG 30 N -1.69 -1.38 -4.35 -0.78 1.74 0.71 -5.00 116.66 105.92 2r1y n ARG 30 Ca 0.02 0.99 -0.26 0.00 -0.77 0.00 0.00 57.85 57.82 2r1y n ARG 30 Cb 0.38 -5.40 -0.10 0.00 -1.02 0.00 0.00 32.46 26.32 2r1y n ARG 30 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2r1y s LYS 30 N -4.35 1.85 -0.24 5.56 1.02 -1.23 -4.91 119.74 117.44 2r1y s LYS 30 Ca 0.00 -1.41 -0.17 0.00 0.02 0.00 0.00 55.97 54.41 2r1y s LYS 30 Cb 0.00 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 2r1y s LYS 30 CO 0.00 0.41 0.45 -0.80 -0.92 0.00 0.00 175.35 174.49 2r1y s ASN 31 N -2.88 6.40 -1.32 2.83 -0.87 -1.26 -1.20 114.94 116.64 2r1y s ASN 31 Ca 0.24 0.47 -0.11 0.00 -1.57 0.00 0.00 52.86 51.89 2r1y s ASN 31 Cb -0.08 -2.25 0.14 0.00 -0.02 0.00 0.00 41.25 39.04 2r1y s ASN 31 CO 0.14 -0.20 1.93 -1.22 -2.57 0.00 0.00 177.10 175.17 2r1y n TYR 32 N 5.16 3.25 -3.78 2.20 0.53 -0.50 -3.12 117.16 120.90 2r1y n TYR 32 Ca -0.06 -2.87 -0.21 0.00 -1.02 0.00 0.00 57.90 53.74 2r1y n TYR 32 Cb 0.50 -2.12 -0.17 0.00 -1.03 0.00 0.00 39.34 36.52 2r1y n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 2r1y s LEU 33 N 0.61 0.57 0.22 7.72 1.98 -1.26 -1.60 118.68 126.92 2r1y s LEU 33 Ca 0.42 -0.02 0.11 0.00 -2.89 0.00 0.00 54.13 51.75 2r1y s LEU 33 Cb 0.10 -0.29 -0.05 0.00 0.66 0.00 0.00 46.19 46.61 2r1y s LEU 33 CO -0.02 -0.19 -0.21 0.00 -1.89 0.00 0.00 176.35 174.05 2r1y s ALA 34 N 1.81 2.49 -0.07 5.97 0.00 -0.42 -0.13 121.76 131.41 2r1y s ALA 34 Ca 0.01 -1.71 0.05 0.00 0.00 0.00 0.00 51.96 50.32 2r1y s ALA 34 Cb -0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2r1y s ALA 34 CO -0.04 0.32 -0.24 -1.58 0.00 0.00 0.00 175.76 174.22 2r1y s TRP 35 N -2.13 2.50 0.04 0.00 0.52 0.43 -0.62 118.94 119.68 2r1y s TRP 35 Ca 0.23 -0.82 0.09 0.00 0.02 0.00 0.00 56.10 55.62 2r1y s TRP 35 Cb -0.06 -1.64 -0.03 0.00 -1.15 0.00 0.00 33.47 30.59 2r1y s TRP 35 CO 0.11 -0.28 -0.24 0.71 0.02 0.00 0.00 176.95 177.27 2r1y s TYR 36 N 0.01 2.38 -0.14 -1.98 1.51 0.28 -0.81 117.35 118.59 2r1y s TYR 36 Ca -0.09 -0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 55.58 2r1y s TYR 36 Cb -0.15 -1.41 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 2r1y s TYR 36 CO 0.05 0.16 -0.06 -1.14 -1.11 0.00 0.00 175.55 173.45 2r1y s GLN 37 N -1.29 3.56 -0.30 -0.62 0.74 0.11 -0.53 119.66 121.33 2r1y s GLN 37 Ca 0.12 -0.56 0.02 0.00 0.05 0.00 0.00 55.36 54.99 2r1y s GLN 37 Cb -0.10 -2.83 0.09 0.00 1.10 0.00 0.00 33.01 31.27 2r1y s GLN 37 CO 0.03 0.26 0.03 -1.14 -0.55 0.00 0.00 175.29 173.92 2r1y s GLN 38 N 0.29 1.32 0.65 1.67 0.74 0.47 -0.17 119.66 124.62 2r1y s GLN 38 Ca -0.05 -1.41 -0.12 0.00 0.05 0.00 0.00 55.36 53.84 2r1y s GLN 38 Cb -0.14 -2.69 -0.02 0.00 1.10 0.00 0.00 33.01 31.26 2r1y s GLN 38 CO 0.04 -0.86 1.04 0.15 -0.55 0.00 0.00 175.29 175.11 2r1y s LYS 39 N 1.24 3.30 0.18 1.67 1.02 -1.26 -1.33 119.74 124.56 2r1y s LYS 39 Ca 0.06 0.88 -0.33 0.00 0.02 0.00 0.00 55.97 56.60 2r1y s LYS 39 Cb -0.18 -2.04 -0.13 0.00 -0.52 0.00 0.00 37.83 34.95 2r1y s LYS 39 CO -0.13 -0.81 1.62 -2.30 -0.92 0.00 0.00 175.35 172.81 2r1y n PRO 40 N -2.80 2.35 -0.93 -1.68 -0.02 -1.26 -1.52 135.00 129.13 2r1y n PRO 40 Ca 0.07 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2r1y n PRO 40 Cb 0.54 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2r1y n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r1y n GLY 41 N 3.50 0.53 3.67 -1.23 0.00 -1.26 -5.01 105.19 105.38 2r1y n GLY 41 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 2r1y n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r1y s GLN 42 N -0.44 2.20 0.66 1.61 -0.21 -0.57 -5.13 119.66 117.77 2r1y s GLN 42 Ca 0.00 -1.67 -0.12 0.00 0.02 0.00 0.00 55.36 53.59 2r1y s GLN 42 Cb 0.00 -2.03 -0.01 0.00 1.00 0.00 0.00 33.01 31.98 2r1y s GLN 42 CO 0.00 0.13 1.06 -1.12 -2.12 0.00 0.00 175.29 173.23 2r1y s SER 43 N -3.77 5.51 0.73 5.90 0.01 -1.26 -4.64 113.70 116.18 2r1y s SER 43 Ca 0.36 1.69 -0.15 0.00 1.31 0.00 0.00 55.95 59.16 2r1y s SER 43 Cb -0.01 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.75 2r1y s SER 43 CO 0.21 -1.36 1.20 -2.84 0.41 0.00 0.00 173.24 170.86 2r1y s PRO 44 N -4.71 2.13 -0.04 12.44 0.02 -1.26 -4.56 135.00 139.02 2r1y s PRO 44 Ca 0.60 1.74 0.03 0.00 0.02 0.00 0.00 61.00 63.39 2r1y s PRO 44 Cb -0.15 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.54 2r1y s PRO 44 CO 0.49 -1.84 -0.13 0.21 -0.33 0.00 0.00 177.00 175.40 2r1y s LYS 45 N -3.94 1.45 0.12 5.54 2.20 0.76 -4.93 119.74 120.94 2r1y s LYS 45 Ca 0.74 -0.46 -0.31 0.00 -0.36 0.00 0.00 55.97 55.58 2r1y s LYS 45 Cb -0.29 -1.28 -0.08 0.00 -1.51 0.00 0.00 37.83 34.67 2r1y s LYS 45 CO 0.45 0.16 1.43 -1.17 -0.36 0.00 0.00 175.35 175.86 2r1y s LEU 46 N 0.20 4.37 -0.15 5.43 2.96 -1.26 -0.71 118.68 129.51 2r1y s LEU 46 Ca -0.05 2.38 -0.08 0.00 -0.22 0.00 0.00 54.13 56.15 2r1y s LEU 46 Cb -0.11 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 2r1y s LEU 46 CO 0.02 -0.69 -0.21 0.18 -1.32 0.00 0.00 176.35 174.32 2r1y n LEU 47 N 4.04 1.19 -3.91 -0.68 4.77 0.01 -4.85 117.00 117.57 2r1y n LEU 47 Ca 0.12 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.18 2r1y n LEU 47 Cb 0.42 -0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 2r1y n LEU 47 CO 0.59 0.26 -0.37 -0.63 -1.33 0.00 0.00 177.39 175.91 2r1y s ILE 48 N -2.32 0.13 0.22 -0.08 -1.09 -1.05 -1.02 121.20 115.98 2r1y s ILE 48 Ca -0.22 -0.19 -0.02 0.00 -2.23 0.00 0.00 60.65 57.99 2r1y s ILE 48 Cb 0.08 -0.14 -0.03 0.00 -1.58 0.00 0.00 42.46 40.79 2r1y s ILE 48 CO 0.28 -0.04 0.19 -0.72 -1.23 0.00 0.00 174.94 173.42 2r1y s TYR 49 N -0.24 1.11 -1.53 3.97 1.13 -0.09 -0.43 117.35 121.27 2r1y s TYR 49 Ca -0.02 -1.32 -0.14 0.00 -1.41 0.00 0.00 57.07 54.18 2r1y s TYR 49 Cb -0.02 -0.47 0.10 0.00 -1.10 0.00 0.00 41.96 40.47 2r1y s TYR 49 CO -0.00 -0.71 0.82 0.91 -2.51 0.00 0.00 175.55 174.06 2r1y n TRP 50 N -0.31 -2.04 0.00 -3.49 8.01 -1.07 -0.57 117.44 117.96 2r1y n TRP 50 Ca 0.02 0.77 0.00 0.00 -1.31 0.00 0.00 57.50 56.98 2r1y n TRP 50 Cb 0.65 -3.51 0.00 0.00 -2.01 0.00 0.00 31.31 26.44 2r1y n TRP 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2r1y n ALA 51 N -4.32 0.00 -0.72 6.99 0.00 0.82 -4.15 120.51 119.12 2r1y n ALA 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2r1y n ALA 51 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2r1y n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2r1y n SER 52 N 0.39 0.18 -4.62 0.00 3.41 -1.11 -3.18 113.62 108.70 2r1y n SER 52 Ca 0.00 -0.92 -0.42 0.00 -0.26 0.00 0.00 58.87 57.27 2r1y n SER 52 Cb 0.00 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 2r1y n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2r1y s THR 53 N -0.02 4.74 -0.17 6.66 2.01 0.27 -4.63 115.64 124.50 2r1y s THR 53 Ca 0.00 1.26 -0.26 0.00 0.31 0.00 0.00 61.69 63.00 2r1y s THR 53 Cb 0.00 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 2r1y s THR 53 CO 0.00 -0.30 0.87 -0.60 -0.69 0.00 0.00 174.62 173.90 2r1y s ARG 54 N 3.08 4.30 0.54 4.92 3.52 -1.26 -0.91 118.95 133.13 2r1y s ARG 54 Ca 0.34 1.07 -0.22 0.00 -0.13 0.00 0.00 55.73 56.80 2r1y s ARG 54 Cb -0.14 -3.58 -0.05 0.00 -1.56 0.00 0.00 34.95 29.62 2r1y s ARG 54 CO 0.13 -0.37 1.34 -2.00 -0.81 0.00 0.00 175.30 173.59 2r1y s GLU 55 N 2.28 3.22 0.34 5.12 2.56 -0.19 -4.93 118.70 127.10 2r1y s GLU 55 Ca 0.39 2.18 -0.28 0.00 0.00 0.00 0.00 54.97 57.26 2r1y s GLU 55 Cb -0.16 -2.28 -0.12 0.00 2.00 0.00 0.00 34.13 33.57 2r1y s GLU 55 CO 0.12 -1.11 1.38 0.43 -0.56 0.00 0.00 175.26 175.51 2r1y n SER 56 N -0.96 3.15 0.00 -1.70 7.64 -1.26 -1.96 113.62 118.53 2r1y n SER 56 Ca 0.10 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.19 2r1y n SER 56 Cb 0.45 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 2r1y n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2r1y n GLY 57 N 0.86 1.87 3.71 0.23 0.00 -1.26 -5.03 105.19 105.58 2r1y n GLY 57 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2r1y n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r1y s VAL 58 N -2.34 4.94 0.51 1.61 1.01 -0.83 -5.01 120.40 120.29 2r1y s VAL 58 Ca 0.00 1.76 -0.22 0.00 0.00 0.00 0.00 61.98 63.52 2r1y s VAL 58 Cb 0.00 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 2r1y s VAL 58 CO 0.00 0.21 1.04 -2.65 0.00 0.00 0.00 175.10 173.71 2r1y n PRO 59 N 3.77 1.27 0.34 2.72 -0.02 -1.26 -4.86 135.00 136.95 2r1y n PRO 59 Ca 0.02 0.47 0.22 0.00 -2.02 0.00 0.00 63.50 62.19 2r1y n PRO 59 Cb 0.51 -2.17 1.18 0.00 -0.02 0.00 0.00 33.50 32.99 2r1y n PRO 59 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2r1y h ASP 60 N 1.17 0.00 0.63 2.55 -0.00 -1.98 -2.63 116.42 116.16 2r1y h ASP 60 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.56 2r1y h ASP 60 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.67 2r1y h ASP 60 CO 0.55 0.00 0.00 0.08 -0.00 0.00 0.00 179.24 179.87 2r1y h ARG 61 N 0.00 0.00 -5.37 0.28 -0.00 -1.89 -3.42 114.38 103.99 2r1y h ARG 61 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 59.98 59.37 2r1y h ARG 61 Cb 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 29.97 29.90 2r1y h ARG 61 CO -0.00 0.00 -0.10 -0.06 -0.00 0.00 0.00 179.97 179.81 2r1y s PHE 62 N -3.63 3.30 -0.06 4.08 0.40 -0.99 -1.35 117.98 119.73 2r1y s PHE 62 Ca 0.01 0.62 0.01 0.00 -0.60 0.00 0.00 56.93 56.96 2r1y s PHE 62 Cb 0.09 -2.65 0.02 0.00 0.51 0.00 0.00 43.02 41.00 2r1y s PHE 62 CO 0.43 -0.18 -0.05 0.99 0.70 0.00 0.00 175.22 177.11 2r1y s THR 63 N 1.94 0.66 -0.09 0.64 2.01 -0.28 -4.96 115.64 115.56 2r1y s THR 63 Ca 0.20 -0.15 -0.09 0.00 0.31 0.00 0.00 61.69 61.96 2r1y s THR 63 Cb -0.15 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 2r1y s THR 63 CO 0.09 0.27 0.21 -0.83 -0.69 0.00 0.00 174.62 173.67 2r1y s GLY 64 N 1.16 2.24 0.32 4.40 0.00 -1.26 -0.90 107.32 113.29 2r1y s GLY 64 Ca -0.07 -0.53 -0.03 0.00 0.00 0.00 0.00 44.72 44.09 2r1y s GLY 64 CO -0.01 -0.24 0.43 -1.35 0.00 0.00 0.00 173.10 171.93 2r1y s SER 65 N -1.03 0.80 0.00 1.64 1.04 0.12 -4.20 113.70 112.07 2r1y s SER 65 Ca 0.17 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2r1y s SER 65 Cb -0.13 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2r1y s SER 65 CO 0.06 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.68 2r1y n GLY 66 N -0.52 0.85 3.49 7.32 0.00 -1.26 -1.23 105.19 113.84 2r1y n GLY 66 Ca 0.01 -2.10 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 2r1y n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2r1y s SER 67 N 0.00 -0.40 0.96 1.61 0.15 -0.69 -4.94 113.70 110.39 2r1y s SER 67 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2r1y s SER 67 Cb 0.00 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2r1y s SER 67 CO 0.00 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.36 2r1y n GLY 68 N -0.27 1.14 0.29 9.45 0.00 -1.26 -2.64 105.19 111.90 2r1y n GLY 68 Ca -0.10 0.29 0.07 0.00 0.00 0.00 0.00 46.02 46.28 2r1y n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2r1y n THR 69 N 0.00 0.00 -4.16 2.61 -2.24 -1.26 -0.64 114.28 108.58 2r1y n THR 69 Ca 0.00 -0.32 -0.19 0.00 -2.27 0.00 0.00 64.05 61.27 2r1y n THR 69 Cb 0.00 1.15 -0.16 0.00 -2.10 0.00 0.00 70.33 69.22 2r1y n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2r1y s ASP 70 N -1.89 0.88 0.04 3.42 1.01 -1.08 -0.78 116.67 118.27 2r1y s ASP 70 Ca 0.11 -0.12 0.01 0.00 0.71 0.00 0.00 52.55 53.26 2r1y s ASP 70 Cb 0.12 -0.42 -0.03 0.00 1.01 0.00 0.00 42.92 43.60 2r1y s ASP 70 CO 0.41 -0.05 -0.05 -0.36 0.21 0.00 0.00 175.17 175.33 2r1y s PHE 71 N 0.84 0.51 -0.01 4.23 0.40 0.04 -1.71 117.98 122.28 2r1y s PHE 71 Ca -0.11 -0.67 0.01 0.00 -0.60 0.00 0.00 56.93 55.55 2r1y s PHE 71 Cb -0.14 -0.33 0.01 0.00 0.51 0.00 0.00 43.02 43.07 2r1y s PHE 71 CO 0.00 -0.19 -0.02 0.99 0.70 0.00 0.00 175.22 176.71 2r1y s THR 72 N -2.17 0.19 -0.17 0.64 2.01 -0.36 -0.66 115.64 115.11 2r1y s THR 72 Ca -0.06 -0.05 -0.03 0.00 0.31 0.00 0.00 61.69 61.86 2r1y s THR 72 Cb -0.05 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 2r1y s THR 72 CO -0.03 0.08 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.70 2r1y s LEU 73 N 0.27 2.97 -0.11 4.42 2.96 -0.40 -0.70 118.68 128.09 2r1y s LEU 73 Ca -0.02 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 2r1y s LEU 73 Cb -0.05 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 2r1y s LEU 73 CO -0.01 0.10 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.05 2r1y s THR 74 N 0.74 2.56 -0.29 3.68 2.01 -0.07 -1.50 115.64 122.77 2r1y s THR 74 Ca -0.03 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 2r1y s THR 74 Cb -0.15 -2.03 0.04 0.00 0.01 0.00 0.00 72.50 70.37 2r1y s THR 74 CO 0.02 0.54 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.86 2r1y s ILE 75 N 0.32 3.13 0.39 1.82 1.01 0.13 -1.13 121.20 126.87 2r1y s ILE 75 Ca -0.15 -1.17 -0.14 0.00 0.00 0.00 0.00 60.65 59.20 2r1y s ILE 75 Cb -0.17 -2.71 -0.08 0.00 0.01 0.00 0.00 42.46 39.51 2r1y s ILE 75 CO 0.07 0.01 0.80 0.42 0.00 0.00 0.00 174.94 176.24 2r1y s THR 76 N 1.32 4.67 -0.96 2.92 -4.23 -0.46 -0.28 115.64 118.62 2r1y s THR 76 Ca -0.02 0.91 -0.21 0.00 -1.18 0.00 0.00 61.69 61.19 2r1y s THR 76 Cb -0.18 -3.67 0.03 0.00 1.34 0.00 0.00 72.50 70.02 2r1y s THR 76 CO -0.01 -0.39 0.58 -1.20 -0.54 0.00 0.00 174.62 173.06 2r1y n SER 77 N -0.89 -3.86 -4.67 3.99 7.64 -1.18 -4.81 113.62 109.84 2r1y n SER 77 Ca 0.04 -1.07 -0.40 0.00 1.01 0.00 0.00 58.87 58.45 2r1y n SER 77 Cb 0.54 -1.41 0.03 0.00 -1.01 0.00 0.00 64.21 62.36 2r1y n SER 77 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2r1y n VAL 78 N -3.86 3.16 -4.32 0.44 3.14 -0.26 -4.44 118.33 112.19 2r1y n VAL 78 Ca -0.17 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.47 2r1y n VAL 78 Cb 0.54 -1.40 -0.09 0.00 -1.06 0.00 0.00 33.84 31.84 2r1y n VAL 78 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2r1y s GLN 79 N -2.49 2.09 0.36 1.45 -0.21 -1.26 0.04 119.66 119.64 2r1y s GLN 79 Ca 0.68 -1.41 0.12 0.00 0.02 0.00 0.00 55.36 54.77 2r1y s GLN 79 Cb -0.47 -2.09 0.91 0.00 1.00 0.00 0.00 33.01 32.36 2r1y s GLN 79 CO 0.53 0.39 1.80 0.00 -2.12 0.00 0.00 175.29 175.89 2r1y h ALA 80 N 2.39 1.94 0.00 6.09 0.00 -1.90 -0.35 119.26 127.44 2r1y h ALA 80 Ca -0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2r1y h ALA 80 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2r1y h ALA 80 CO 0.57 -0.29 0.00 -0.85 0.00 0.00 0.00 179.25 178.68 2r1y n GLU 81 N -4.65 0.03 0.00 0.00 0.00 -1.04 -3.05 120.64 111.93 2r1y n GLU 81 Ca 0.22 0.23 0.15 0.00 0.00 0.00 0.00 57.16 57.76 2r1y n GLU 81 Cb 0.66 -1.50 0.76 0.00 0.00 0.00 0.00 31.44 31.36 2r1y n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2r1y n ASP 82 N -1.47 0.03 -4.68 -1.84 8.00 -0.14 -4.83 116.55 111.61 2r1y n ASP 82 Ca 0.04 -0.19 -0.55 0.00 0.71 0.00 0.00 54.79 54.80 2r1y n ASP 82 Cb 0.17 -0.26 -0.07 0.00 -0.02 0.00 0.00 41.12 40.94 2r1y n ASP 82 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2r1y n LEU 83 N -1.26 2.34 0.00 0.64 7.94 -1.17 -4.88 117.00 120.60 2r1y n LEU 83 Ca 0.15 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.12 2r1y n LEU 83 Cb 0.24 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.01 2r1y n LEU 83 CO 0.23 -0.53 0.00 0.00 -1.11 0.00 0.00 177.39 175.98 2r1y n ALA 84 N 4.84 0.00 -2.72 1.96 0.00 -1.09 -4.58 120.51 118.92 2r1y n ALA 84 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.32 2r1y n ALA 84 Cb 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.54 2r1y n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2r1y s VAL 85 N -2.00 5.29 -0.17 0.00 1.01 -0.44 -0.73 120.40 123.35 2r1y s VAL 85 Ca 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 2r1y s VAL 85 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2r1y s VAL 85 CO 0.00 0.40 -0.02 -0.31 0.00 0.00 0.00 175.10 175.18 2r1y s TYR 86 N 0.34 3.06 -0.06 5.22 2.02 -0.03 -0.40 117.35 127.50 2r1y s TYR 86 Ca 0.18 -0.29 0.04 0.00 -0.37 0.00 0.00 57.07 56.63 2r1y s TYR 86 Cb -0.13 -2.00 -0.02 0.00 -0.40 0.00 0.00 41.96 39.40 2r1y s TYR 86 CO 0.05 -0.06 -0.18 0.71 -1.57 0.00 0.00 175.55 174.50 2r1y s TYR 87 N 0.51 2.61 0.25 2.71 1.51 0.31 -1.12 117.35 124.13 2r1y s TYR 87 Ca -0.02 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 2r1y s TYR 87 Cb -0.14 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 2r1y s TYR 87 CO 0.02 0.04 0.40 0.00 -1.11 0.00 0.00 175.55 174.90 2r1y s LYS 89 N -3.90 0.34 0.13 0.00 2.20 0.21 -0.57 119.74 118.16 2r1y s LYS 89 Ca 0.36 0.77 -0.09 0.00 -0.36 0.00 0.00 55.97 56.65 2r1y s LYS 89 Cb -0.10 -0.00 -0.06 0.00 -1.51 0.00 0.00 37.83 36.16 2r1y s LYS 89 CO 0.30 -0.18 0.44 1.14 -0.36 0.00 0.00 175.35 176.70 2r1y s GLN 90 N 1.57 3.76 -0.06 4.03 1.03 -0.31 -1.29 119.66 128.38 2r1y s GLN 90 Ca -0.08 0.17 0.12 0.00 0.04 0.00 0.00 55.36 55.61 2r1y s GLN 90 Cb -0.09 -2.88 0.23 0.00 0.03 0.00 0.00 33.01 30.30 2r1y s GLN 90 CO -0.12 0.48 1.11 -1.13 -2.54 0.00 0.00 175.29 173.09 2r1y n SER 91 N 0.47 1.07 -0.14 12.60 3.41 -0.63 -2.19 113.62 128.21 2r1y n SER 91 Ca -0.04 -2.56 -0.12 0.00 -0.26 0.00 0.00 58.87 55.89 2r1y n SER 91 Cb 0.52 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 64.13 2r1y n SER 91 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2r1y h TYR 92 N 0.37 1.08 -2.96 7.33 3.20 -1.91 -3.41 116.97 120.67 2r1y h TYR 92 Ca -0.05 -0.27 -0.50 0.00 3.14 0.00 0.00 58.73 61.04 2r1y h TYR 92 Cb 1.35 -0.25 -0.40 0.00 1.54 0.00 0.00 36.73 38.97 2r1y h TYR 92 CO 0.19 1.08 -0.76 1.21 -1.64 0.00 0.00 178.16 178.24 2r1y s ASN 93 N -6.68 3.01 0.68 -2.11 3.04 -1.26 -5.06 114.94 106.55 2r1y s ASN 93 Ca -0.12 -0.98 0.00 0.00 0.04 0.00 0.00 52.86 51.80 2r1y s ASN 93 Cb 0.11 -0.35 0.00 0.00 -1.54 0.00 0.00 41.25 39.48 2r1y s ASN 93 CO 0.86 -0.39 0.00 0.18 -3.04 0.00 0.00 177.10 174.71 2r1y n LEU 94 N 5.23 0.00 -3.81 3.21 4.77 -1.26 -4.71 117.00 120.42 2r1y n LEU 94 Ca -0.06 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.79 2r1y n LEU 94 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 2r1y n LEU 94 CO 0.08 0.00 -0.08 -0.13 -1.33 0.00 0.00 177.39 175.92 2r1y s ARG 95 N 0.00 0.50 -0.12 3.23 3.00 -1.26 -4.14 118.95 120.16 2r1y s ARG 95 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 55.73 55.50 2r1y s ARG 95 Cb 0.00 0.22 0.04 0.00 0.00 0.00 0.00 34.95 35.21 2r1y s ARG 95 CO 0.00 -0.12 0.30 0.99 0.00 0.00 0.00 175.30 176.47 2r1y s THR 96 N -1.01 -0.02 0.06 0.02 2.01 -0.93 -4.99 115.64 110.78 2r1y s THR 96 Ca -0.11 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.88 2r1y s THR 96 Cb -0.05 -0.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 2r1y s THR 96 CO 0.02 0.03 0.37 -0.36 -0.69 0.00 0.00 174.62 173.99 2r1y s PHE 97 N 0.86 3.58 1.12 4.92 0.08 -1.26 -1.16 117.98 126.13 2r1y s PHE 97 Ca -0.06 0.73 -0.16 0.00 0.12 0.00 0.00 56.93 57.56 2r1y s PHE 97 Cb -0.07 -2.11 0.25 0.00 -0.57 0.00 0.00 43.02 40.52 2r1y s PHE 97 CO -0.06 0.54 1.09 0.20 -0.10 0.00 0.00 175.22 176.89 2r1y s GLY 98 N -1.75 1.56 0.00 4.36 0.00 0.27 -4.65 107.32 107.10 2r1y s GLY 98 Ca 0.32 -0.64 0.30 0.00 0.00 0.00 0.00 44.72 44.69 2r1y s GLY 98 CO 0.18 0.13 2.03 0.61 0.00 0.00 0.00 173.10 176.04 2r1y n GLY 99 N -0.78 -1.27 0.00 0.20 0.00 -1.26 -4.77 105.19 97.30 2r1y n GLY 99 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2r1y n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r1y n GLY 100 N 1.24 -0.53 3.08 -0.02 0.00 -1.26 -5.01 105.19 102.68 2r1y n GLY 100 Ca 0.14 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 2r1y n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r1y s THR 101 N -3.06 1.70 -0.25 2.61 2.01 -0.27 -4.71 115.64 113.67 2r1y s THR 101 Ca 0.00 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.04 2r1y s THR 101 Cb 0.00 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 2r1y s THR 101 CO 0.00 0.48 0.67 -0.75 -0.69 0.00 0.00 174.62 174.33 2r1y s LYS 102 N 1.10 4.14 -0.30 4.92 2.20 -0.29 -0.85 119.74 130.65 2r1y s LYS 102 Ca -0.03 0.64 -0.11 0.00 -0.36 0.00 0.00 55.97 56.11 2r1y s LYS 102 Cb -0.14 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 2r1y s LYS 102 CO -0.05 -0.42 0.19 -1.17 -0.36 0.00 0.00 175.35 173.54 2r1y s LEU 103 N 2.51 4.11 0.34 5.43 2.96 0.09 -1.88 118.68 132.24 2r1y s LEU 103 Ca 0.28 -0.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.05 2r1y s LEU 103 Cb -0.15 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 2r1y s LEU 103 CO 0.08 -0.12 0.30 -1.83 -1.32 0.00 0.00 176.35 173.46 2r1y s GLU 104 N 1.71 2.73 -0.13 1.98 1.03 -0.02 -2.68 118.70 123.32 2r1y s GLU 104 Ca 0.06 -1.29 -0.01 0.00 0.03 0.00 0.00 54.97 53.76 2r1y s GLU 104 Cb -0.16 -2.48 -0.02 0.00 -0.80 0.00 0.00 34.13 30.66 2r1y s GLU 104 CO 0.09 0.10 -0.10 0.42 -1.33 0.00 0.00 175.26 174.44 2r1y s ILE 105 N -2.30 3.31 0.06 1.83 -1.09 -1.26 -1.96 121.20 119.78 2r1y s ILE 105 Ca 0.41 -0.57 -0.18 0.00 -2.23 0.00 0.00 60.65 58.08 2r1y s ILE 105 Cb -0.06 -2.40 -0.06 0.00 -1.58 0.00 0.00 42.46 38.35 2r1y s ILE 105 CO 0.27 0.52 0.53 -0.75 -1.23 0.00 0.00 174.94 174.27 2r1y s LYS 106 N 0.27 4.12 0.31 2.79 2.20 -0.19 -4.81 119.74 124.43 2r1y s LYS 106 Ca -0.07 0.64 -0.01 0.00 -0.36 0.00 0.00 55.97 56.17 2r1y s LYS 106 Cb -0.15 -3.22 -0.01 0.00 -1.51 0.00 0.00 37.83 32.94 2r1y s LYS 106 CO 0.05 0.65 0.38 -0.98 -0.36 0.00 0.00 175.35 175.08 2r1y s ARG 107 N -1.13 1.74 0.46 4.03 1.70 -1.26 -3.97 118.95 120.50 2r1y s ARG 107 Ca 0.28 -1.75 -0.25 0.00 -0.47 0.00 0.00 55.73 53.54 2r1y s ARG 107 Cb -0.19 0.39 -0.08 0.00 -0.57 0.00 0.00 34.95 34.51 2r1y s ARG 107 CO 0.18 -0.69 1.38 0.00 -1.08 0.00 0.00 175.30 175.09 2r1y s ALA 108 N -3.40 3.17 0.32 7.88 0.00 -1.26 -4.95 121.76 123.52 2r1y s ALA 108 Ca 0.33 1.38 -0.28 0.00 0.00 0.00 0.00 51.96 53.40 2r1y s ALA 108 Cb 0.01 -3.56 -0.13 0.00 0.00 0.00 0.00 23.12 19.44 2r1y s ALA 108 CO 0.20 -1.14 1.19 -0.25 0.00 0.00 0.00 175.76 175.76 2r1y n ASP 109 N -0.28 2.26 -3.82 0.00 10.43 -1.26 -4.76 116.55 119.12 2r1y n ASP 109 Ca 0.06 1.20 -0.16 0.00 2.57 0.00 0.00 54.79 58.46 2r1y n ASP 109 Cb 0.43 -1.42 -0.16 0.00 1.84 0.00 0.00 41.12 41.81 2r1y n ASP 109 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2r1y s ALA 110 N -1.08 0.21 0.39 2.24 0.00 0.34 -4.89 121.76 118.96 2r1y s ALA 110 Ca 0.57 0.16 -0.24 0.00 0.00 0.00 0.00 51.96 52.44 2r1y s ALA 110 Cb -0.61 -0.23 -0.09 0.00 0.00 0.00 0.00 23.12 22.18 2r1y s ALA 110 CO 0.61 -0.06 1.04 0.00 0.00 0.00 0.00 175.76 177.36 2r1y s ALA 111 N 0.80 3.11 0.60 0.00 0.00 -1.26 -1.21 121.76 123.79 2r1y s ALA 111 Ca -0.07 0.69 -0.15 0.00 0.00 0.00 0.00 51.96 52.42 2r1y s ALA 111 Cb -0.11 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 2r1y s ALA 111 CO -0.02 -0.17 1.05 -1.25 0.00 0.00 0.00 175.76 175.37 2r1y s PRO 112 N -2.42 3.33 -0.27 0.00 0.04 -1.26 -4.47 135.00 129.94 2r1y s PRO 112 Ca 0.57 1.16 -0.10 0.00 0.04 0.00 0.00 61.00 62.66 2r1y s PRO 112 Cb -0.22 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2r1y s PRO 112 CO 0.28 -0.80 0.16 0.99 0.04 0.00 0.00 177.00 177.67 2r1y s THR 113 N -2.53 5.05 -0.14 1.26 2.01 -0.18 -4.87 115.64 116.24 2r1y s THR 113 Ca 0.63 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.66 2r1y s THR 113 Cb -0.15 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 2r1y s THR 113 CO 0.38 0.27 0.01 -0.69 -0.69 0.00 0.00 174.62 173.90 2r1y s VAL 114 N 1.72 4.33 -0.01 3.82 1.01 -1.26 -0.56 120.40 129.45 2r1y s VAL 114 Ca 0.07 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.87 2r1y s VAL 114 Cb -0.16 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 2r1y s VAL 114 CO 0.09 0.53 -0.12 -0.44 0.00 0.00 0.00 175.10 175.15 2r1y s SER 115 N -0.11 1.47 0.00 3.32 0.01 -0.05 -4.97 113.70 113.37 2r1y s SER 115 Ca 0.04 -0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.14 2r1y s SER 115 Cb -0.13 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.90 2r1y s SER 115 CO 0.02 0.15 -0.19 -0.51 0.41 0.00 0.00 173.24 173.12 2r1y s ILE 116 N -0.27 2.69 -0.08 1.44 2.07 -1.26 -1.09 121.20 124.70 2r1y s ILE 116 Ca 0.04 -1.04 0.00 0.00 -1.41 0.00 0.00 60.65 58.25 2r1y s ILE 116 Cb -0.05 -2.07 0.02 0.00 0.13 0.00 0.00 42.46 40.49 2r1y s ILE 116 CO -0.00 0.46 -0.07 -0.36 -1.91 0.00 0.00 174.94 173.06 2r1y s PHE 117 N -0.80 1.16 0.80 3.50 0.40 0.31 -5.01 117.98 118.34 2r1y s PHE 117 Ca 0.13 -0.46 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 2r1y s PHE 117 Cb -0.10 -0.98 0.07 0.00 0.51 0.00 0.00 43.02 42.52 2r1y s PHE 117 CO 0.02 -0.34 1.09 -1.25 0.70 0.00 0.00 175.22 175.44 2r1y s PRO 118 N 1.28 2.02 0.52 0.24 0.04 -1.26 -2.17 135.00 135.67 2r1y s PRO 118 Ca -0.04 0.76 -0.23 0.00 0.04 0.00 0.00 61.00 61.53 2r1y s PRO 118 Cb -0.14 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 2r1y s PRO 118 CO -0.03 -1.70 1.39 -2.14 0.04 0.00 0.00 177.00 174.57 2r1y s PRO 119 N -5.07 3.29 0.52 0.56 0.02 -1.17 -4.85 135.00 128.29 2r1y s PRO 119 Ca 0.61 2.31 -0.17 0.00 0.02 0.00 0.00 61.00 63.77 2r1y s PRO 119 Cb -0.15 -2.38 -0.07 0.00 0.02 0.00 0.00 34.50 31.92 2r1y s PRO 119 CO 0.55 -1.10 1.00 -1.54 -0.33 0.00 0.00 177.00 175.58 2r1y s SER 120 N -0.80 6.46 0.36 2.53 1.04 -1.26 -4.95 113.70 117.08 2r1y s SER 120 Ca 0.69 1.65 0.05 0.00 0.48 0.00 0.00 55.95 58.82 2r1y s SER 120 Cb -0.42 -2.52 0.67 0.00 0.10 0.00 0.00 66.02 63.85 2r1y s SER 120 CO 0.51 -0.70 1.91 0.77 0.98 0.00 0.00 173.24 176.71 2r1y h SER 121 N 0.93 0.45 0.22 7.02 4.64 -1.99 -1.39 113.55 123.44 2r1y h SER 121 Ca -0.47 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 60.76 2r1y h SER 121 Cb 1.19 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2r1y h SER 121 CO 0.60 0.50 -0.09 1.05 -0.87 0.00 0.00 176.83 178.03 2r1y h GLU 122 N 0.47 0.00 0.09 4.77 9.09 -1.99 -1.11 114.58 125.90 2r1y h GLU 122 Ca 0.11 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.31 2r1y h GLU 122 Cb 0.27 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.37 2r1y h GLU 122 CO 0.01 0.09 -1.01 0.37 0.05 0.00 0.00 179.01 178.52 2r1y h GLN 123 N 0.00 0.19 -0.60 1.06 4.15 -1.67 -3.38 115.11 114.85 2r1y h GLN 123 Ca -0.00 -0.32 0.06 0.00 0.77 0.00 0.00 58.65 59.16 2r1y h GLN 123 Cb 0.22 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 2r1y h GLN 123 CO 0.01 1.15 0.40 -0.07 -1.93 0.00 0.00 178.83 178.40 2r1y h LEU 124 N -0.52 0.51 -2.14 -2.39 3.38 -1.03 -0.65 115.31 112.47 2r1y h LEU 124 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2r1y h LEU 124 Cb 1.55 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 2r1y h LEU 124 CO 0.04 0.33 0.01 0.74 0.09 0.00 0.00 178.44 179.66 2r1y h THR 125 N 0.58 0.85 0.00 0.22 2.02 -1.38 -0.69 112.91 114.51 2r1y h THR 125 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.44 2r1y h THR 125 Cb 0.29 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2r1y h THR 125 CO -0.08 0.00 -0.18 -0.24 0.37 0.00 0.00 175.52 175.39 2r1y n SER 126 N -4.33 0.28 0.00 4.18 2.88 -0.26 -4.94 113.62 111.44 2r1y n SER 126 Ca -0.03 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2r1y n SER 126 Cb 0.10 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 2r1y n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r1y n GLY 127 N 1.47 0.78 3.56 0.46 0.00 -0.26 -5.07 105.19 106.12 2r1y n GLY 127 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2r1y n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r1y s GLY 128 N -1.61 1.94 -0.30 -0.02 0.00 -1.21 -1.08 107.32 105.05 2r1y s GLY 128 Ca 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 44.72 42.82 2r1y s GLY 128 CO 0.00 -1.91 0.28 0.00 0.00 0.00 0.00 173.10 171.47 2r1y s ALA 129 N -2.49 -0.31 -0.18 3.20 0.00 0.08 -3.10 121.76 118.95 2r1y s ALA 129 Ca 0.32 -0.48 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 2r1y s ALA 129 Cb -0.03 -1.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 2r1y s ALA 129 CO 0.17 -1.74 0.18 -1.12 0.00 0.00 0.00 175.76 173.25 2r1y s SER 130 N 2.25 6.30 -0.12 0.00 0.01 -1.26 -1.26 113.70 119.62 2r1y s SER 130 Ca 0.10 0.34 -0.02 0.00 1.31 0.00 0.00 55.95 57.68 2r1y s SER 130 Cb -0.14 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 2r1y s SER 130 CO -0.31 0.19 -0.03 -0.69 0.41 0.00 0.00 173.24 172.81 2r1y s VAL 131 N 0.18 4.00 -0.06 3.43 1.01 0.82 -3.05 120.40 126.72 2r1y s VAL 131 Ca 0.11 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.81 2r1y s VAL 131 Cb -0.12 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 2r1y s VAL 131 CO 0.00 0.54 -0.23 -0.69 0.00 0.00 0.00 175.10 174.73 2r1y s VAL 132 N -0.22 1.92 -0.11 2.92 1.01 -0.92 -0.52 120.40 124.48 2r1y s VAL 132 Ca 0.04 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.07 2r1y s VAL 132 Cb -0.13 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2r1y s VAL 132 CO 0.02 0.54 -0.23 0.00 0.00 0.00 0.00 175.10 175.43 2r1y s PHE 134 N 0.48 3.49 -0.35 0.00 0.08 -0.25 -0.57 117.98 120.85 2r1y s PHE 134 Ca -0.16 0.56 -0.01 0.00 0.12 0.00 0.00 56.93 57.44 2r1y s PHE 134 Cb -0.17 -2.26 0.08 0.00 -0.57 0.00 0.00 43.02 40.11 2r1y s PHE 134 CO 0.06 0.33 0.09 -0.51 -0.10 0.00 0.00 175.22 175.09 2r1y s LEU 135 N 0.17 4.58 -0.03 -0.37 2.01 0.36 -0.87 118.68 124.53 2r1y s LEU 135 Ca 0.15 -1.74 0.02 0.00 0.01 0.00 0.00 54.13 52.56 2r1y s LEU 135 Cb -0.13 -1.74 -0.03 0.00 0.01 0.00 0.00 46.19 44.30 2r1y s LEU 135 CO 0.03 -0.39 -0.05 0.20 1.01 0.00 0.00 176.35 177.15 2r1y s ASN 136 N 1.42 4.75 -0.90 2.29 0.02 0.27 -0.69 114.94 122.11 2r1y s ASN 136 Ca 0.03 -0.05 -0.03 0.00 -1.02 0.00 0.00 52.86 51.78 2r1y s ASN 136 Cb -0.21 -1.18 -0.04 0.00 0.02 0.00 0.00 41.25 39.84 2r1y s ASN 136 CO -0.04 0.32 0.77 0.59 0.02 0.00 0.00 177.10 178.76 2r1y n ASN 137 N 1.83 -4.39 -4.53 -1.22 3.02 -0.70 -1.01 115.26 108.25 2r1y n ASN 137 Ca -0.16 -0.55 -0.26 0.00 -0.03 0.00 0.00 54.58 53.58 2r1y n ASN 137 Cb 0.53 -4.30 -0.10 0.00 -0.61 0.00 0.00 39.78 35.29 2r1y n ASN 137 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2r1y s PHE 138 N -3.31 2.36 -0.24 3.10 -0.71 0.07 -4.48 117.98 114.78 2r1y s PHE 138 Ca 0.23 -0.52 -0.19 0.00 -1.04 0.00 0.00 56.93 55.41 2r1y s PHE 138 Cb -0.03 -1.37 0.07 0.00 -1.21 0.00 0.00 43.02 40.48 2r1y s PHE 138 CO 0.60 0.55 0.63 -0.47 -1.34 0.00 0.00 175.22 175.19 2r1y s TYR 139 N -2.65 -0.78 0.80 3.49 6.14 -0.35 -0.44 117.35 123.56 2r1y s TYR 139 Ca 0.32 1.77 -0.14 0.00 0.64 0.00 0.00 57.07 59.66 2r1y s TYR 139 Cb 0.03 0.34 0.19 0.00 0.42 0.00 0.00 41.96 42.93 2r1y s TYR 139 CO 0.16 -0.38 1.02 -0.35 0.64 0.00 0.00 175.55 176.64 2r1y n PRO 140 N 3.25 -1.27 0.18 4.97 -0.04 -1.26 -0.51 135.00 140.32 2r1y n PRO 140 Ca -0.16 -1.58 0.03 0.00 -0.04 0.00 0.00 63.50 61.75 2r1y n PRO 140 Cb 0.56 -1.11 0.39 0.00 -0.04 0.00 0.00 33.50 33.31 2r1y n PRO 140 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2r1y h LYS 141 N 0.00 0.04 -6.57 0.54 3.64 -1.99 -3.44 116.57 108.79 2r1y h LYS 141 Ca -0.34 -0.01 -0.53 0.00 -1.27 0.00 0.00 60.65 58.50 2r1y h LYS 141 Cb 0.94 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.78 2r1y h LYS 141 CO 0.23 0.33 0.67 -0.51 -2.27 0.00 0.00 179.45 177.91 2r1y s ASP 142 N -6.95 6.90 -0.03 4.20 1.01 -1.26 -4.99 116.67 115.56 2r1y s ASP 142 Ca -0.03 2.28 -0.24 0.00 0.71 0.00 0.00 52.55 55.27 2r1y s ASP 142 Cb 0.15 -2.59 0.05 0.00 1.01 0.00 0.00 42.92 41.54 2r1y s ASP 142 CO 0.72 -0.58 0.53 -0.51 0.21 0.00 0.00 175.17 175.54 2r1y s ILE 143 N 0.82 0.02 -0.09 0.77 2.07 -1.26 -4.69 121.20 118.84 2r1y s ILE 143 Ca 0.61 -0.20 0.02 0.00 -1.41 0.00 0.00 60.65 59.67 2r1y s ILE 143 Cb -0.35 -0.86 -0.01 0.00 0.13 0.00 0.00 42.46 41.37 2r1y s ILE 143 CO 0.32 -0.11 -0.17 0.21 -1.91 0.00 0.00 174.94 173.28 2r1y s ASN 144 N -1.33 3.70 -0.11 4.50 3.84 -0.62 -5.01 114.94 119.92 2r1y s ASN 144 Ca -0.11 -0.37 0.03 0.00 0.21 0.00 0.00 52.86 52.62 2r1y s ASN 144 Cb -0.02 -1.27 0.00 0.00 -0.55 0.00 0.00 41.25 39.41 2r1y s ASN 144 CO 0.07 0.22 -0.22 -0.69 -2.79 0.00 0.00 177.10 173.68 2r1y s VAL 145 N 0.02 1.96 -0.06 -5.21 1.01 -1.26 -0.89 120.40 115.96 2r1y s VAL 145 Ca -0.06 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2r1y s VAL 145 Cb -0.15 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 2r1y s VAL 145 CO 0.05 0.54 -0.15 -0.54 0.00 0.00 0.00 175.10 174.99 2r1y s LYS 146 N 0.55 2.63 -0.18 2.72 1.02 -0.08 -4.96 119.74 121.43 2r1y s LYS 146 Ca -0.14 -0.72 -0.09 0.00 0.02 0.00 0.00 55.97 55.04 2r1y s LYS 146 Cb -0.17 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 2r1y s LYS 146 CO 0.05 0.54 0.11 -1.58 -0.92 0.00 0.00 175.35 173.55 2r1y s TRP 147 N -0.52 3.39 -0.06 3.18 0.52 -1.26 -0.69 118.94 123.49 2r1y s TRP 147 Ca 0.07 0.28 0.05 0.00 0.02 0.00 0.00 56.10 56.52 2r1y s TRP 147 Cb -0.12 -2.10 -0.00 0.00 -1.15 0.00 0.00 33.47 30.10 2r1y s TRP 147 CO 0.01 0.31 -0.21 0.15 0.02 0.00 0.00 176.95 177.24 2r1y s LYS 148 N 0.17 2.32 -0.16 4.98 -0.14 -0.12 0.24 119.74 127.02 2r1y s LYS 148 Ca 0.08 -0.74 0.01 0.00 -1.36 0.00 0.00 55.97 53.95 2r1y s LYS 148 Cb -0.11 -1.91 0.02 0.00 -1.68 0.00 0.00 37.83 34.15 2r1y s LYS 148 CO -0.01 0.25 -0.19 0.42 -0.76 0.00 0.00 175.35 175.06 2r1y s ILE 149 N 0.12 1.91 -1.60 2.17 1.01 0.27 -1.22 121.20 123.86 2r1y s ILE 149 Ca -0.09 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.56 2r1y s ILE 149 Cb -0.14 -1.73 0.11 0.00 0.01 0.00 0.00 42.46 40.71 2r1y s ILE 149 CO 0.04 0.52 0.87 0.47 0.00 0.00 0.00 174.94 176.84 2r1y n ASP 150 N 4.57 -3.90 0.00 3.58 8.00 0.24 -2.32 116.55 126.72 2r1y n ASP 150 Ca -0.20 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.41 2r1y n ASP 150 Cb 0.50 -3.37 0.00 0.00 -0.02 0.00 0.00 41.12 38.23 2r1y n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2r1y n GLY 151 N -1.57 1.42 3.39 0.44 0.00 -1.26 -5.02 105.19 102.58 2r1y n GLY 151 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2r1y n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r1y s SER 152 N -3.20 3.44 0.32 1.61 1.04 -0.98 -5.01 113.70 110.92 2r1y s SER 152 Ca 0.00 -0.49 -0.29 0.00 0.48 0.00 0.00 55.95 55.65 2r1y s SER 152 Cb 0.00 -0.45 -0.10 0.00 0.10 0.00 0.00 66.02 65.57 2r1y s SER 152 CO 0.00 0.27 1.39 -0.70 0.98 0.00 0.00 173.24 175.18 2r1y s GLU 153 N -1.21 4.27 0.00 4.02 2.12 -1.26 -0.57 118.70 126.08 2r1y s GLU 153 Ca 0.13 2.33 0.00 0.00 0.36 0.00 0.00 54.97 57.78 2r1y s GLU 153 Cb -0.10 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.23 2r1y s GLU 153 CO 0.03 -0.34 0.00 -2.13 -0.54 0.00 0.00 175.26 172.28 2r1y n ARG 154 N 1.12 3.67 -3.28 4.30 3.00 0.14 -4.86 116.66 120.75 2r1y n ARG 154 Ca 0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.64 2r1y n ARG 154 Cb 0.41 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.88 2r1y n ARG 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2r1y n GLY 157 N 5.00 -0.50 3.44 5.14 0.00 -1.26 -4.26 105.19 112.76 2r1y n GLY 157 Ca 0.00 0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2r1y n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r1y s VAL 158 N -3.02 3.28 -0.21 1.61 1.01 -1.26 -0.16 120.40 121.65 2r1y s VAL 158 Ca 0.38 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2r1y s VAL 158 Cb -0.19 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.86 2r1y s VAL 158 CO 0.47 0.54 -0.17 -0.22 0.00 0.00 0.00 175.10 175.73 2r1y s LEU 159 N -0.06 2.55 -0.08 3.92 1.98 0.87 -4.96 118.68 122.91 2r1y s LEU 159 Ca -0.02 -0.85 0.01 0.00 -2.89 0.00 0.00 54.13 50.39 2r1y s LEU 159 Cb -0.14 -1.51 -0.03 0.00 0.66 0.00 0.00 46.19 45.17 2r1y s LEU 159 CO 0.04 -0.06 -0.11 0.20 -1.89 0.00 0.00 176.35 174.53 2r1y s ASN 160 N 1.25 4.28 -0.08 3.68 0.02 -1.26 -0.83 114.94 121.99 2r1y s ASN 160 Ca 0.01 -0.16 -0.04 0.00 -1.02 0.00 0.00 52.86 51.66 2r1y s ASN 160 Cb -0.15 -1.17 0.04 0.00 0.02 0.00 0.00 41.25 40.00 2r1y s ASN 160 CO -0.10 0.30 0.18 -0.55 0.02 0.00 0.00 177.10 176.96 2r1y s SER 161 N -0.47 0.02 -0.07 -1.22 0.15 -0.36 -4.99 113.70 106.76 2r1y s SER 161 Ca 0.06 0.39 -0.07 0.00 0.70 0.00 0.00 55.95 57.03 2r1y s SER 161 Cb -0.12 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.45 2r1y s SER 161 CO 0.02 -0.18 0.19 0.26 1.20 0.00 0.00 173.24 174.73 2r1y s TRP 162 N 1.47 3.60 0.72 3.44 0.51 -1.26 -0.51 118.94 126.91 2r1y s TRP 162 Ca -0.06 0.55 -0.13 0.00 -2.12 0.00 0.00 56.10 54.34 2r1y s TRP 162 Cb -0.11 -1.96 0.03 0.00 -0.81 0.00 0.00 33.47 30.62 2r1y s TRP 162 CO -0.07 0.70 1.10 0.95 -0.51 0.00 0.00 176.95 179.12 2r1y s THR 163 N -1.12 3.24 0.92 2.01 -4.23 0.13 -4.99 115.64 111.59 2r1y s THR 163 Ca 0.19 0.48 -0.11 0.00 -1.18 0.00 0.00 61.69 61.08 2r1y s THR 163 Cb -0.13 -2.98 0.14 0.00 1.34 0.00 0.00 72.50 70.88 2r1y s THR 163 CO 0.09 -0.45 1.11 -1.81 -0.54 0.00 0.00 174.62 173.03 2r1y s ASP 164 N -2.97 3.04 0.48 3.99 1.11 -1.26 -4.59 116.67 116.45 2r1y s ASP 164 Ca 0.64 1.95 -0.24 0.00 0.18 0.00 0.00 52.55 55.09 2r1y s ASP 164 Cb -0.19 -2.48 -0.08 0.00 1.07 0.00 0.00 42.92 41.24 2r1y s ASP 164 CO 0.49 -2.99 1.28 1.67 1.18 0.00 0.00 175.17 176.81 2r1y n GLN 165 N -4.15 1.81 -2.33 8.23 7.27 -1.26 -4.72 117.38 122.23 2r1y n GLN 165 Ca 0.10 0.65 -0.41 0.00 0.07 0.00 0.00 57.00 57.41 2r1y n GLN 165 Cb 0.53 -2.44 -0.03 0.00 2.41 0.00 0.00 30.24 30.70 2r1y n GLN 165 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2r1y s ASP 166 N -0.69 7.04 0.18 1.69 2.15 0.66 -4.94 116.67 122.76 2r1y s ASP 166 Ca 0.65 2.31 0.24 0.00 0.43 0.00 0.00 52.55 56.19 2r1y s ASP 166 Cb -0.47 -2.61 0.91 0.00 -0.30 0.00 0.00 42.92 40.45 2r1y s ASP 166 CO 0.55 -0.39 1.74 -1.20 -0.17 0.00 0.00 175.17 175.69 2r1y n SER 167 N 2.23 0.57 -0.11 -0.34 7.64 -1.26 -1.56 113.62 120.80 2r1y n SER 167 Ca 0.04 0.59 -0.21 0.00 1.01 0.00 0.00 58.87 60.30 2r1y n SER 167 Cb 0.44 -0.73 -0.07 0.00 -1.01 0.00 0.00 64.21 62.84 2r1y n SER 167 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2r1y n LYS 168 N -2.08 0.50 -0.03 1.43 4.81 -1.26 -2.50 118.16 119.03 2r1y n LYS 168 Ca 0.04 0.21 0.08 0.00 -0.87 0.00 0.00 58.31 57.78 2r1y n LYS 168 Cb 0.31 -1.35 0.08 0.00 0.02 0.00 0.00 35.03 34.10 2r1y n LYS 168 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2r1y n ASP 169 N -4.16 2.45 -1.49 3.14 3.85 -1.25 -4.87 116.55 114.21 2r1y n ASP 169 Ca -0.37 -1.70 -0.19 0.00 -0.71 0.00 0.00 54.79 51.81 2r1y n ASP 169 Cb 0.73 -0.04 -0.08 0.00 -1.35 0.00 0.00 41.12 40.38 2r1y n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 2r1y n SER 170 N 0.91 -5.40 -4.97 -1.12 7.64 -0.60 -4.97 113.62 105.11 2r1y n SER 170 Ca 0.10 0.47 -0.22 0.00 1.01 0.00 0.00 58.87 60.24 2r1y n SER 170 Cb 0.41 -4.67 0.03 0.00 -1.01 0.00 0.00 64.21 58.98 2r1y n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2r1y s THR 171 N -2.61 2.93 0.22 0.44 -4.23 -1.26 -4.68 115.64 106.46 2r1y s THR 171 Ca 0.00 -0.61 0.08 0.00 -1.18 0.00 0.00 61.69 59.98 2r1y s THR 171 Cb 0.00 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 2r1y s THR 171 CO 0.00 -0.07 0.06 -0.31 -0.54 0.00 0.00 174.62 173.76 2r1y s TYR 172 N -2.74 2.90 0.14 3.99 1.51 0.42 -0.24 117.35 123.32 2r1y s TYR 172 Ca 0.56 -0.14 0.04 0.00 -1.01 0.00 0.00 57.07 56.51 2r1y s TYR 172 Cb -0.10 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 2r1y s TYR 172 CO 0.39 0.55 -0.10 -1.12 -1.11 0.00 0.00 175.55 174.16 2r1y s SER 173 N -3.42 1.71 0.01 2.29 0.01 -1.26 -0.75 113.70 112.30 2r1y s SER 173 Ca 0.30 -0.99 -0.01 0.00 1.31 0.00 0.00 55.95 56.56 2r1y s SER 173 Cb -0.08 -0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 2r1y s SER 173 CO 0.21 -0.33 -0.00 -0.32 0.41 0.00 0.00 173.24 173.20 2r1y s MET 174 N -3.66 0.25 -0.06 12.44 1.75 0.13 -0.70 119.30 129.46 2r1y s MET 174 Ca 0.15 -0.43 0.06 0.00 -1.25 0.00 0.00 55.69 54.22 2r1y s MET 174 Cb 0.02 0.09 -0.01 0.00 2.84 0.00 0.00 34.83 37.77 2r1y s MET 174 CO 0.00 -0.04 -0.23 0.45 -0.65 0.00 0.00 175.02 174.55 2r1y s SER 175 N -1.08 3.26 -0.10 1.11 0.15 0.33 -0.49 113.70 116.88 2r1y s SER 175 Ca -0.12 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.10 2r1y s SER 175 Cb -0.07 -0.85 0.01 0.00 -1.71 0.00 0.00 66.02 63.40 2r1y s SER 175 CO -0.01 0.26 -0.16 -0.55 1.20 0.00 0.00 173.24 173.99 2r1y s SER 176 N -0.24 2.40 -0.14 5.45 0.15 0.27 -1.23 113.70 120.37 2r1y s SER 176 Ca -0.01 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.23 2r1y s SER 176 Cb -0.13 -1.08 0.02 0.00 -1.71 0.00 0.00 66.02 63.12 2r1y s SER 176 CO 0.03 0.03 -0.14 -0.89 1.20 0.00 0.00 173.24 173.47 2r1y s THR 177 N 0.87 1.52 -0.25 6.45 2.01 -0.01 -0.57 115.64 125.65 2r1y s THR 177 Ca -0.09 -0.61 -0.10 0.00 0.31 0.00 0.00 61.69 61.20 2r1y s THR 177 Cb -0.15 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 2r1y s THR 177 CO 0.00 0.45 0.15 -0.22 -0.69 0.00 0.00 174.62 174.31 2r1y s LEU 178 N 1.39 3.94 -0.15 4.42 2.96 0.33 -0.09 118.68 131.47 2r1y s LEU 178 Ca 0.02 0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2r1y s LEU 178 Cb -0.13 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 2r1y s LEU 178 CO -0.08 0.01 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.94 2r1y s THR 179 N 1.36 2.92 0.27 3.68 2.01 0.77 -0.13 115.64 126.51 2r1y s THR 179 Ca 0.07 -0.69 0.09 0.00 0.31 0.00 0.00 61.69 61.47 2r1y s THR 179 Cb -0.15 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 2r1y s THR 179 CO 0.07 0.51 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.61 2r1y s LEU 180 N 0.71 2.58 0.66 4.42 1.43 -0.39 -4.69 118.68 123.40 2r1y s LEU 180 Ca -0.06 -1.09 -0.13 0.00 -1.03 0.00 0.00 54.13 51.81 2r1y s LEU 180 Cb -0.15 -0.84 -0.00 0.00 0.03 0.00 0.00 46.19 45.22 2r1y s LEU 180 CO 0.02 -0.16 1.07 0.42 0.23 0.00 0.00 176.35 177.93 2r1y s THR 181 N -2.79 3.70 0.19 5.49 -4.23 -1.26 -0.75 115.64 116.00 2r1y s THR 181 Ca 0.28 0.69 -0.12 0.00 -1.18 0.00 0.00 61.69 61.36 2r1y s THR 181 Cb -0.00 -3.27 0.12 0.00 1.34 0.00 0.00 72.50 70.68 2r1y s THR 181 CO 0.12 -0.59 1.85 0.50 -0.54 0.00 0.00 174.62 175.97 2r1y h LYS 182 N -0.20 0.87 -0.60 3.99 3.64 -1.36 0.76 116.57 123.69 2r1y h LYS 182 Ca -0.45 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 58.92 2r1y h LYS 182 Cb 1.22 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.80 2r1y h LYS 182 CO 0.56 0.59 0.31 -0.44 -2.27 0.00 0.00 179.45 178.19 2r1y h ASP 183 N 0.89 0.43 -0.13 4.20 5.19 -1.93 -1.23 116.42 123.84 2r1y h ASP 183 Ca 0.24 0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.56 2r1y h ASP 183 Cb -0.08 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.39 2r1y h ASP 183 CO -0.05 0.28 -0.39 -0.08 -3.12 0.00 0.00 179.24 175.88 2r1y h GLU 184 N 0.57 0.50 -0.85 3.56 4.57 -1.86 -3.16 114.58 117.91 2r1y h GLU 184 Ca 0.27 -0.36 0.17 0.00 -1.18 0.00 0.00 59.36 58.26 2r1y h GLU 184 Cb 0.20 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 28.74 2r1y h GLU 184 CO -0.19 0.98 0.39 -0.92 -1.18 0.00 0.00 179.01 178.09 2r1y h TYR 185 N 0.11 0.67 0.00 0.92 3.20 -0.49 -1.66 116.97 119.71 2r1y h TYR 185 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2r1y h TYR 185 Cb 1.01 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.12 2r1y h TYR 185 CO 0.11 0.07 0.00 0.39 -1.64 0.00 0.00 178.16 177.09 2r1y n GLU 186 N -4.96 0.55 0.00 1.82 1.02 -0.50 -3.00 120.64 115.57 2r1y n GLU 186 Ca 0.18 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.48 2r1y n GLU 186 Cb 0.51 -1.50 0.32 0.00 -0.02 0.00 0.00 31.44 30.75 2r1y n GLU 186 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2r1y n ARG 187 N -1.14 0.25 -4.20 3.49 1.74 -0.63 -4.94 116.66 111.23 2r1y n ARG 187 Ca 0.15 -0.14 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 2r1y n ARG 187 Cb 0.14 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.98 2r1y n ARG 187 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2r1y s HIS 188 N -2.85 1.02 -0.15 -1.55 3.76 -1.16 -5.10 115.29 109.26 2r1y s HIS 188 Ca 0.15 -0.87 -0.10 0.00 -0.15 0.00 0.00 55.06 54.09 2r1y s HIS 188 Cb 0.18 -0.56 -0.07 0.00 1.11 0.00 0.00 32.58 33.24 2r1y s HIS 188 CO 0.63 -0.08 -0.24 -1.71 -0.85 0.00 0.00 174.74 172.49 2r1y n ASN 189 N -0.10 1.43 -4.71 1.40 4.05 -1.26 -4.78 115.26 111.29 2r1y n ASN 189 Ca -0.11 0.24 -0.37 0.00 0.45 0.00 0.00 54.58 54.79 2r1y n ASN 189 Cb 0.61 -0.57 -0.07 0.00 1.23 0.00 0.00 39.78 40.98 2r1y n ASN 189 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2r1y s SER 190 N -6.42 6.43 -0.15 1.20 0.15 -1.26 -0.24 113.70 113.41 2r1y s SER 190 Ca -0.24 0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.92 2r1y s SER 190 Cb 0.07 -2.19 0.02 0.00 -1.71 0.00 0.00 66.02 62.21 2r1y s SER 190 CO 0.31 0.05 -0.17 -0.31 1.20 0.00 0.00 173.24 174.33 2r1y s TYR 191 N 0.70 2.33 -0.04 3.44 2.02 -0.44 -0.59 117.35 124.77 2r1y s TYR 191 Ca 0.17 -1.27 0.02 0.00 -0.37 0.00 0.00 57.07 55.62 2r1y s TYR 191 Cb -0.13 -1.66 0.01 0.00 -0.40 0.00 0.00 41.96 39.77 2r1y s TYR 191 CO 0.05 -0.65 -0.08 0.99 -1.57 0.00 0.00 175.55 174.29 2r1y s THR 192 N 1.24 0.75 -0.10 -0.71 2.01 -0.36 -1.35 115.64 117.13 2r1y s THR 192 Ca 0.01 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.70 2r1y s THR 192 Cb -0.14 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 2r1y s THR 192 CO -0.08 0.25 -0.10 0.00 -0.69 0.00 0.00 174.62 174.00 2r1y s GLU 194 N -0.24 2.62 -0.27 0.00 2.02 0.14 -1.56 118.70 121.40 2r1y s GLU 194 Ca 0.02 -0.77 -0.09 0.00 0.02 0.00 0.00 54.97 54.16 2r1y s GLU 194 Cb -0.13 -2.41 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 2r1y s GLU 194 CO 0.03 -0.26 0.12 0.00 0.02 0.00 0.00 175.26 175.17 2r1y s ALA 195 N 1.36 3.31 -0.18 5.21 0.00 0.19 -0.90 121.76 130.74 2r1y s ALA 195 Ca 0.04 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 2r1y s ALA 195 Cb -0.14 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.71 2r1y s ALA 195 CO -0.11 -0.56 -0.07 0.99 0.00 0.00 0.00 175.76 176.01 2r1y s THR 196 N 1.67 3.38 0.07 0.00 2.01 -0.07 -0.34 115.64 122.35 2r1y s THR 196 Ca 0.06 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.57 2r1y s THR 196 Cb -0.16 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 2r1y s THR 196 CO 0.07 0.47 -0.08 -2.28 -0.69 0.00 0.00 174.62 172.10 2r1y s HIS 197 N 0.93 0.81 0.45 4.92 2.46 -1.26 -1.59 115.29 122.02 2r1y s HIS 197 Ca -0.01 -0.62 0.37 0.00 0.47 0.00 0.00 55.06 55.27 2r1y s HIS 197 Cb -0.15 -0.47 2.02 0.00 -0.13 0.00 0.00 32.58 33.85 2r1y s HIS 197 CO 0.00 -0.08 2.13 1.57 -2.47 0.00 0.00 174.74 175.90 2r1y h LYS 198 N 3.97 0.00 0.00 2.88 2.10 -1.94 -2.44 116.57 121.15 2r1y h LYS 198 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2r1y h LYS 198 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2r1y h LYS 198 CO 0.48 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.18 2r1y n THR 199 N -2.84 1.02 -3.67 0.07 -2.24 -1.26 -4.70 114.28 100.67 2r1y n THR 199 Ca -0.02 0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.96 2r1y n THR 199 Cb 0.10 -1.24 -0.08 0.00 -2.10 0.00 0.00 70.33 67.01 2r1y n THR 199 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2r1y s SER 200 N -3.75 -0.59 0.24 3.42 0.15 -0.92 -4.99 113.70 107.26 2r1y s SER 200 Ca 0.03 1.09 0.25 0.00 0.70 0.00 0.00 55.95 58.02 2r1y s SER 200 Cb 0.08 1.10 0.90 0.00 -1.71 0.00 0.00 66.02 66.40 2r1y s SER 200 CO 0.29 -0.23 1.75 0.35 1.20 0.00 0.00 173.24 176.59 2r1y n THR 201 N 2.59 0.71 -3.18 6.45 -2.24 -1.26 -4.45 114.28 112.91 2r1y n THR 201 Ca -0.14 -0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.22 2r1y n THR 201 Cb 0.56 -0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 67.83 2r1y n THR 201 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2r1y s SER 202 N -4.39 6.52 0.57 3.42 0.01 -1.26 -5.07 113.70 113.50 2r1y s SER 202 Ca 0.07 0.63 -0.20 0.00 1.31 0.00 0.00 55.95 57.77 2r1y s SER 202 Cb 0.11 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 2r1y s SER 202 CO 0.49 -0.30 1.23 -2.84 0.41 0.00 0.00 173.24 172.23 2r1y s PRO 203 N 2.24 3.11 -0.20 12.44 0.02 -1.26 -4.86 135.00 146.49 2r1y s PRO 203 Ca 0.24 1.90 -0.22 0.00 0.02 0.00 0.00 61.00 62.93 2r1y s PRO 203 Cb -0.16 -2.05 -0.02 0.00 0.02 0.00 0.00 34.50 32.29 2r1y s PRO 203 CO 0.09 -1.11 0.70 0.42 -0.33 0.00 0.00 177.00 176.77 2r1y s ILE 204 N -1.53 4.96 -0.17 2.83 1.01 0.54 -4.88 121.20 123.96 2r1y s ILE 204 Ca 0.75 1.33 -0.01 0.00 0.00 0.00 0.00 60.65 62.71 2r1y s ILE 204 Cb -0.32 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.13 2r1y s ILE 204 CO 0.36 0.06 -0.11 -0.69 0.00 0.00 0.00 174.94 174.55 2r1y s VAL 205 N 2.15 2.99 -0.03 2.92 1.01 -1.26 -0.64 120.40 127.54 2r1y s VAL 205 Ca 0.31 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.69 2r1y s VAL 205 Cb -0.16 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 2r1y s VAL 205 CO 0.10 0.49 -0.17 -0.54 0.00 0.00 0.00 175.10 174.98 2r1y s LYS 206 N 0.88 1.63 0.05 2.72 -0.14 -0.60 -5.03 119.74 119.24 2r1y s LYS 206 Ca -0.03 -0.61 -0.05 0.00 -1.36 0.00 0.00 55.97 53.93 2r1y s LYS 206 Cb -0.15 -1.47 -0.02 0.00 -1.68 0.00 0.00 37.83 34.52 2r1y s LYS 206 CO -0.00 0.29 0.07 0.45 -0.76 0.00 0.00 175.35 175.40 2r1y s SER 207 N -0.12 0.24 0.08 2.83 0.15 -1.26 -0.94 113.70 114.68 2r1y s SER 207 Ca 0.00 -0.65 0.01 0.00 0.70 0.00 0.00 55.95 56.00 2r1y s SER 207 Cb -0.10 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 2r1y s SER 207 CO 0.01 -0.55 -0.05 0.72 1.20 0.00 0.00 173.24 174.57 2r1y s PHE 208 N -3.03 0.74 -0.12 3.44 -0.71 -0.46 -5.01 117.98 112.85 2r1y s PHE 208 Ca -0.01 -0.97 0.01 0.00 -1.04 0.00 0.00 56.93 54.92 2r1y s PHE 208 Cb 0.01 -0.46 -0.01 0.00 -1.21 0.00 0.00 43.02 41.35 2r1y s PHE 208 CO -0.07 -0.24 -0.16 -0.80 -1.34 0.00 0.00 175.22 172.61 2r1y s ASN 209 N -2.97 3.77 0.33 1.98 0.01 -1.26 -1.33 114.94 115.47 2r1y s ASN 209 Ca 0.10 -0.38 0.06 0.00 -0.71 0.00 0.00 52.86 51.93 2r1y s ASN 209 Cb 0.06 -1.49 0.72 0.00 0.41 0.00 0.00 41.25 40.95 2r1y s ASN 209 CO -0.07 0.18 1.87 -0.09 -1.51 0.00 0.00 177.10 177.48 2r1y h ARG 210 N 6.60 0.78 0.00 -0.60 2.43 -0.91 -1.04 114.38 121.64 2r1y h ARG 210 Ca -0.25 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2r1y h ARG 210 Cb 1.21 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2r1y h ARG 210 CO 0.53 0.52 0.00 -2.95 -1.51 0.00 0.00 179.97 176.56 2r1y h ASN 211 N 0.80 0.00 -0.00 -3.80 7.08 -1.93 -2.54 115.58 115.19 2r1y h ASN 211 Ca 0.45 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.67 2r1y h ASN 211 Cb 0.58 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.82 2r1y h ASN 211 CO -0.21 0.00 -0.03 -0.62 -2.08 0.00 0.00 177.43 174.50 2r1y n GLU 212 N -3.03 1.77 0.00 4.14 1.02 -0.40 -5.28 120.64 118.86 2r1y n GLU 212 Ca -0.02 -1.17 0.12 0.00 -0.02 0.00 0.00 57.16 56.06 2r1y n GLU 212 Cb 0.11 -1.48 0.71 0.00 -0.02 0.00 0.00 31.44 30.77 2r1y n GLU 212 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31