#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3y n ASN 2 N 0.00 0.30 -2.68 7.83 2.85 -1.26 -4.74 115.26 117.56 1s3y n ASN 2 Ca 0.00 -0.64 -0.18 0.00 -0.11 0.00 0.00 54.58 53.65 1s3y n ASN 2 Cb 0.00 0.68 0.01 0.00 1.24 0.00 0.00 39.78 41.71 1s3y n ASN 2 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s3y n GLN 3 N -0.68 2.07 -0.11 1.20 -0.00 -1.26 -4.79 117.38 113.81 1s3y n GLN 3 Ca 0.00 -3.83 0.09 0.00 -0.00 0.00 0.00 57.00 53.27 1s3y n GLN 3 Cb 0.00 -1.72 0.31 0.00 -0.00 0.00 0.00 30.24 28.83 1s3y n GLN 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1s3y n GLN 4 N -0.18 1.78 -3.85 2.61 0.00 -1.26 -4.85 117.38 111.63 1s3y n GLN 4 Ca 0.23 -1.19 -0.12 0.00 0.00 0.00 0.00 57.00 55.92 1s3y n GLN 4 Cb 0.71 -1.36 -0.12 0.00 0.00 0.00 0.00 30.24 29.47 1s3y n GLN 4 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1s3y s LYS 5 N -1.70 0.25 0.34 2.61 1.02 -1.26 -5.16 119.74 115.83 1s3y s LYS 5 Ca 0.30 -0.03 -0.04 0.00 0.02 0.00 0.00 55.97 56.22 1s3y s LYS 5 Cb 0.16 0.11 -0.05 0.00 -0.52 0.00 0.00 37.83 37.54 1s3y s LYS 5 CO 0.24 -0.05 0.60 -1.54 -0.92 0.00 0.00 175.35 173.68 1s3y s SER 6 N -0.43 6.39 0.18 2.83 1.04 -1.26 -4.96 113.70 117.50 1s3y s SER 6 Ca -0.05 0.72 0.03 0.00 0.48 0.00 0.00 55.95 57.13 1s3y s SER 6 Cb -0.03 -2.15 -0.03 0.00 0.10 0.00 0.00 66.02 63.91 1s3y s SER 6 CO 0.00 -0.28 0.30 -0.76 0.98 0.00 0.00 173.24 173.49 1s3y s LEU 7 N -3.89 4.33 -0.05 2.42 1.43 -1.03 -4.49 118.68 117.40 1s3y s LEU 7 Ca 0.44 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1s3y s LEU 7 Cb -0.10 -2.89 0.01 0.00 0.03 0.00 0.00 46.19 43.23 1s3y s LEU 7 CO 0.33 0.02 -0.13 -0.89 0.23 0.00 0.00 176.35 175.91 1s3y s THR 8 N -1.81 1.15 -0.19 5.49 2.01 -0.59 -3.06 115.64 118.64 1s3y s THR 8 Ca 0.34 -0.53 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 1s3y s THR 8 Cb -0.10 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 1s3y s THR 8 CO 0.29 0.35 0.16 -0.22 -0.69 0.00 0.00 174.62 174.50 1s3y s LEU 9 N 0.38 4.22 -0.06 4.42 0.20 -0.49 0.11 118.68 127.46 1s3y s LEU 9 Ca -0.09 0.28 0.04 0.00 0.69 0.00 0.00 54.13 55.06 1s3y s LEU 9 Cb -0.13 -2.13 -0.00 0.00 -0.43 0.00 0.00 46.19 43.50 1s3y s LEU 9 CO 0.03 0.18 -0.19 -0.51 -0.29 0.00 0.00 176.35 175.56 1s3y s ILE 10 N 0.32 1.62 0.13 6.68 2.07 -0.11 0.88 121.20 132.79 1s3y s ILE 10 Ca 0.10 -0.80 -0.24 0.00 -1.41 0.00 0.00 60.65 58.29 1s3y s ILE 10 Cb -0.11 -1.40 0.07 0.00 0.13 0.00 0.00 42.46 41.14 1s3y s ILE 10 CO -0.01 0.46 0.61 0.54 -1.91 0.00 0.00 174.94 174.64 1s3y s VAL 11 N 0.17 0.00 -0.11 4.00 0.11 0.17 -4.39 120.40 120.35 1s3y s VAL 11 Ca -0.09 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 1s3y s VAL 11 Cb -0.14 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.72 1s3y s VAL 11 CO 0.04 0.00 -0.18 0.00 -3.33 0.00 0.00 175.10 171.63 1s3y s ALA 12 N -3.40 1.88 0.15 1.54 0.00 -1.26 -0.82 121.76 119.85 1s3y s ALA 12 Ca -0.01 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 1s3y s ALA 12 Cb -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.27 1s3y s ALA 12 CO -0.10 0.02 0.32 -0.48 0.00 0.00 0.00 175.76 175.52 1s3y s LEU 13 N 0.80 0.84 0.58 0.00 2.34 0.14 -4.70 118.68 118.68 1s3y s LEU 13 Ca -0.10 -0.69 -0.02 0.00 0.06 0.00 0.00 54.13 53.39 1s3y s LEU 13 Cb -0.16 1.40 0.03 0.00 -0.56 0.00 0.00 46.19 46.91 1s3y s LEU 13 CO 0.01 -0.88 0.84 0.42 -1.06 0.00 0.00 176.35 175.68 1s3y s THR 14 N -3.91 2.99 0.64 5.48 -4.23 -0.72 -0.42 115.64 115.47 1s3y s THR 14 Ca 0.11 -0.41 0.31 0.00 -1.18 0.00 0.00 61.69 60.53 1s3y s THR 14 Cb 0.03 -3.17 0.34 0.00 1.34 0.00 0.00 72.50 71.04 1s3y s THR 14 CO -0.04 -0.15 2.00 0.71 -0.54 0.00 0.00 174.62 176.60 1s3y h THR 15 N -0.09 0.14 -0.56 3.99 1.35 -1.84 0.70 112.91 116.61 1s3y h THR 15 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1s3y h THR 15 Cb 1.29 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1s3y h THR 15 CO 0.57 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.64 1s3y n SER 16 N -3.21 3.13 -0.73 5.36 7.64 -1.26 -4.92 113.62 119.63 1s3y n SER 16 Ca 0.00 -2.05 -0.10 0.00 1.01 0.00 0.00 58.87 57.74 1s3y n SER 16 Cb 0.38 -0.40 -0.04 0.00 -1.01 0.00 0.00 64.21 63.15 1s3y n SER 16 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1s3y n TYR 17 N 1.11 0.00 -2.42 1.43 4.01 0.25 -4.91 117.16 116.62 1s3y n TYR 17 Ca 0.19 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.52 1s3y n TYR 17 Cb 0.51 -1.99 -0.04 0.00 -0.31 0.00 0.00 39.34 37.52 1s3y n TYR 17 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1s3y s GLY 18 N -2.71 2.89 0.00 2.72 0.00 -1.25 -0.69 107.32 108.27 1s3y s GLY 18 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1s3y s GLY 18 CO 0.00 1.68 0.16 0.29 0.00 0.00 0.00 173.10 175.23 1s3y n ILE 19 N 1.81 0.00 -3.50 0.90 -5.35 0.83 -1.75 119.36 112.29 1s3y n ILE 19 Ca 0.01 -0.22 -0.16 0.00 -0.27 0.00 0.00 62.75 62.11 1s3y n ILE 19 Cb 0.45 1.39 -0.05 0.00 -1.74 0.00 0.00 39.64 39.68 1s3y n ILE 19 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s3y s GLY 20 N -0.13 -0.56 -0.20 3.28 0.00 -0.87 -4.98 107.32 103.86 1s3y s GLY 20 Ca 0.00 1.20 -0.03 0.00 0.00 0.00 0.00 44.72 45.90 1s3y s GLY 20 CO 0.00 0.79 0.04 -1.60 0.00 0.00 0.00 173.10 172.33 1s3y s ARG 21 N -1.74 0.64 0.00 2.90 6.06 -1.26 0.92 118.95 126.48 1s3y s ARG 21 Ca -0.08 -0.46 0.00 0.00 -2.50 0.00 0.00 55.73 52.69 1s3y s ARG 21 Cb -0.00 -2.08 0.00 0.00 0.06 0.00 0.00 34.95 32.92 1s3y s ARG 21 CO 0.04 -0.67 0.00 0.43 -2.50 0.00 0.00 175.30 172.60 1s3y n SER 22 N 5.04 0.00 0.00 -2.12 7.64 -1.26 0.64 113.62 123.57 1s3y n SER 22 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1s3y n SER 22 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1s3y n SER 22 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1s3y n ASN 23 N 0.44 0.00 0.00 6.43 3.02 -1.26 -4.82 115.26 119.07 1s3y n ASN 23 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1s3y n ASN 23 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1s3y n ASN 23 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1s3y n SER 24 N 2.63 0.00 0.00 6.41 2.88 0.21 -4.88 113.62 120.86 1s3y n SER 24 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1s3y n SER 24 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1s3y n SER 24 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1s3y n LEU 25 N -0.01 0.00 0.00 2.46 7.94 -1.24 -4.99 117.00 121.16 1s3y n LEU 25 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1s3y n LEU 25 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1s3y n LEU 25 CO 0.00 0.00 0.20 -0.81 -1.11 0.00 0.00 177.39 175.67 1s3y n PRO 26 N 0.00 0.00 -3.62 1.96 -0.04 -1.26 -4.72 135.00 127.32 1s3y n PRO 26 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1s3y n PRO 26 Cb 0.00 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 31.95 1s3y n PRO 26 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1s3y s TRP 27 N -1.22 -0.37 -0.51 0.54 -2.14 -1.26 -5.02 118.94 108.96 1s3y s TRP 27 Ca 0.00 0.44 -0.08 0.00 2.66 0.00 0.00 56.10 59.12 1s3y s TRP 27 Cb 0.00 0.28 0.13 0.00 -3.10 0.00 0.00 33.47 30.78 1s3y s TRP 27 CO 0.00 -0.58 0.38 0.21 -2.66 0.00 0.00 176.95 174.30 1s3y s LYS 28 N -2.16 2.53 -0.60 3.25 2.20 -1.26 -5.02 119.74 118.69 1s3y s LYS 28 Ca -0.07 -1.92 0.04 0.00 -0.36 0.00 0.00 55.97 53.66 1s3y s LYS 28 Cb -0.01 -3.91 0.17 0.00 -1.51 0.00 0.00 37.83 32.56 1s3y s LYS 28 CO 0.00 -1.19 0.42 -0.51 -0.36 0.00 0.00 175.35 173.72 1s3y s LEU 29 N 1.07 3.68 0.39 5.43 1.02 -1.26 -4.51 118.68 124.49 1s3y s LEU 29 Ca 0.08 -3.52 0.07 0.00 0.02 0.00 0.00 54.13 50.79 1s3y s LEU 29 Cb -0.24 -1.25 0.77 0.00 0.02 0.00 0.00 46.19 45.50 1s3y s LEU 29 CO -0.02 -0.13 1.97 0.50 0.02 0.00 0.00 176.35 178.69 1s3y h LYS 30 N 5.59 0.44 -0.12 1.70 3.64 -1.95 -2.37 116.57 123.50 1s3y h LYS 30 Ca 0.16 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.30 1s3y h LYS 30 Cb 0.81 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1s3y h LYS 30 CO 0.60 0.41 -0.67 -0.22 -2.27 0.00 0.00 179.45 177.30 1s3y h LYS 31 N 0.44 0.49 -0.02 1.90 1.63 -1.99 -2.83 116.57 116.18 1s3y h LYS 31 Ca 0.10 -0.36 -0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1s3y h LYS 31 Cb 0.17 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1s3y h LYS 31 CO -0.00 0.98 0.01 1.49 -3.45 0.00 0.00 179.45 178.48 1s3y h GLU 32 N 0.35 0.03 -0.95 1.90 4.22 -1.85 -1.05 114.58 117.23 1s3y h GLU 32 Ca -0.02 -0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.52 1s3y h GLU 32 Cb 1.23 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.41 1s3y h GLU 32 CO 0.12 0.08 0.61 0.82 -2.18 0.00 0.00 179.01 178.46 1s3y h ILE 33 N -0.03 0.96 -0.55 2.32 1.08 -1.52 0.21 117.51 119.98 1s3y h ILE 33 Ca 0.01 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1s3y h ILE 33 Cb 0.06 -0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 33.71 1s3y h ILE 33 CO -0.00 0.17 0.32 -1.28 -0.69 0.00 0.00 178.15 176.68 1s3y h SER 34 N 0.96 0.67 -0.19 1.72 0.87 -1.13 0.16 113.55 116.60 1s3y h SER 34 Ca 0.45 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.93 1s3y h SER 34 Cb 0.42 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1s3y h SER 34 CO -0.21 0.54 0.07 0.22 -0.53 0.00 0.00 176.83 176.93 1s3y h TYR 35 N 0.74 0.30 -0.26 2.24 3.20 0.30 -1.47 116.97 122.02 1s3y h TYR 35 Ca 0.20 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.11 1s3y h TYR 35 Cb 0.00 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.12 1s3y h TYR 35 CO -0.02 0.35 -0.20 0.35 -1.64 0.00 0.00 178.16 177.00 1s3y h PHE 36 N 0.16 -0.53 -0.62 -3.82 3.57 -0.09 0.19 116.94 115.79 1s3y h PHE 36 Ca 0.06 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1s3y h PHE 36 Cb 0.18 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1s3y h PHE 36 CO -0.01 -0.28 0.35 -0.22 -2.23 0.00 0.00 178.31 175.92 1s3y h LYS 37 N -0.20 0.86 -0.35 1.11 3.64 -0.61 -1.71 116.57 119.33 1s3y h LYS 37 Ca 0.14 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1s3y h LYS 37 Cb 0.41 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1s3y h LYS 37 CO -0.38 0.64 0.15 -0.09 -2.27 0.00 0.00 179.45 177.51 1s3y h ARG 38 N 0.85 0.51 -0.10 1.90 2.43 -0.41 -1.84 114.38 117.72 1s3y h ARG 38 Ca 0.22 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1s3y h ARG 38 Cb 0.02 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1s3y h ARG 38 CO -0.04 0.49 0.02 0.28 -1.51 0.00 0.00 179.97 179.21 1s3y h VAL 39 N 0.42 1.22 0.00 0.20 2.07 -0.50 -1.64 116.25 118.02 1s3y h VAL 39 Ca 0.12 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1s3y h VAL 39 Cb 0.16 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1s3y h VAL 39 CO -0.01 0.19 0.00 0.35 0.02 0.00 0.00 177.57 178.12 1s3y n THR 40 N -4.85 0.42 -0.06 2.57 -2.24 -0.66 -3.28 114.28 106.18 1s3y n THR 40 Ca -0.06 0.11 -0.03 0.00 -2.27 0.00 0.00 64.05 61.80 1s3y n THR 40 Cb 0.17 -0.74 -0.13 0.00 -2.10 0.00 0.00 70.33 67.53 1s3y n THR 40 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1s3y n SER 41 N -1.39 0.91 -4.65 3.42 7.64 -0.70 -4.68 113.62 114.17 1s3y n SER 41 Ca 0.08 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.50 1s3y n SER 41 Cb 0.21 1.21 -0.03 0.00 -1.01 0.00 0.00 64.21 64.59 1s3y n SER 41 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1s3y n PHE 42 N -2.45 1.99 -3.72 1.43 7.35 -0.63 -4.83 117.46 116.60 1s3y n PHE 42 Ca -0.19 0.48 -0.13 0.00 -0.76 0.00 0.00 57.45 56.85 1s3y n PHE 42 Cb 0.85 -2.43 -0.10 0.00 0.35 0.00 0.00 39.48 38.16 1s3y n PHE 42 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1s3y s VAL 43 N -0.07 -0.00 -0.14 -2.13 1.01 -1.26 -4.88 120.40 112.92 1s3y s VAL 43 Ca 0.69 0.01 -0.39 0.00 0.00 0.00 0.00 61.98 62.29 1s3y s VAL 43 Cb -0.69 -0.60 -0.16 0.00 0.00 0.00 0.00 36.38 34.93 1s3y s VAL 43 CO 0.50 0.00 1.60 -2.65 0.00 0.00 0.00 175.10 174.55 1s3y n PRO 44 N 3.01 1.15 -0.25 2.72 -0.02 -1.26 -4.79 135.00 135.56 1s3y n PRO 44 Ca -0.14 0.42 0.03 0.00 -2.02 0.00 0.00 63.50 61.78 1s3y n PRO 44 Cb 0.57 -2.09 0.11 0.00 -0.02 0.00 0.00 33.50 32.07 1s3y n PRO 44 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1s3y h THR 45 N 4.53 0.31 -0.31 3.45 1.35 -2.00 -1.30 112.91 118.94 1s3y h THR 45 Ca -0.47 -0.01 0.06 0.00 -0.55 0.00 0.00 66.41 65.44 1s3y h THR 45 Cb 1.33 0.27 -0.08 0.00 -1.73 0.00 0.00 68.15 67.93 1s3y h THR 45 CO 0.89 0.01 -0.37 0.15 -0.25 0.00 0.00 175.52 175.95 1s3y h PHE 46 N 0.04 -1.06 -0.83 4.73 3.57 -2.06 -1.33 116.94 120.00 1s3y h PHE 46 Ca 0.37 0.06 -0.56 0.00 3.53 0.00 0.00 57.97 61.36 1s3y h PHE 46 Cb 0.60 0.51 -0.24 0.00 2.79 0.00 0.00 35.95 39.61 1s3y h PHE 46 CO -0.51 -0.42 0.73 -0.40 -2.23 0.00 0.00 178.31 175.48 1s3y n ASP 47 N -5.42 7.25 0.00 0.41 5.68 -0.58 -4.33 116.55 119.56 1s3y n ASP 47 Ca -0.01 -3.55 0.11 0.00 -0.50 0.00 0.00 54.79 50.84 1s3y n ASP 47 Cb 0.35 -1.00 0.11 0.00 -1.14 0.00 0.00 41.12 39.43 1s3y n ASP 47 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1s3y n SER 48 N -0.51 0.68 0.21 -1.12 7.64 -0.50 -2.98 113.62 117.03 1s3y n SER 48 Ca 0.52 -0.51 0.05 0.00 1.01 0.00 0.00 58.87 59.94 1s3y n SER 48 Cb 0.65 0.54 0.44 0.00 -1.01 0.00 0.00 64.21 64.83 1s3y n SER 48 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1s3y h PHE 49 N 0.00 0.00 0.00 1.43 0.05 -1.77 -3.39 116.94 113.25 1s3y h PHE 49 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1s3y h PHE 49 Cb 0.51 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.46 1s3y h PHE 49 CO 0.00 0.29 -0.44 -0.85 -0.18 0.00 0.00 178.31 177.13 1s3y n GLU 50 N -4.02 0.00 -1.68 1.51 0.00 -1.26 -5.08 120.64 110.11 1s3y n GLU 50 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.71 1s3y n GLU 50 Cb 0.36 -0.63 -0.01 0.00 0.00 0.00 0.00 31.44 31.16 1s3y n GLU 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1s3y n SER 51 N -2.09 2.56 -3.88 -1.84 7.64 -1.16 -3.65 113.62 111.20 1s3y n SER 51 Ca 0.00 1.20 -0.11 0.00 1.01 0.00 0.00 58.87 60.97 1s3y n SER 51 Cb 0.22 -1.45 -0.10 0.00 -1.01 0.00 0.00 64.21 61.87 1s3y n SER 51 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1s3y s MET 52 N -1.78 0.47 0.59 1.43 -1.94 -0.16 -4.79 119.30 113.12 1s3y s MET 52 Ca 0.56 -0.41 -0.03 0.00 -1.71 0.00 0.00 55.69 54.10 1s3y s MET 52 Cb -0.59 0.20 0.03 0.00 2.01 0.00 0.00 34.83 36.48 1s3y s MET 52 CO 0.62 -0.11 0.86 -0.80 -0.01 0.00 0.00 175.02 175.57 1s3y s ASN 53 N -1.39 5.30 0.03 3.03 0.01 -1.26 -0.86 114.94 119.80 1s3y s ASN 53 Ca -0.15 0.33 0.07 0.00 -0.71 0.00 0.00 52.86 52.41 1s3y s ASN 53 Cb -0.08 -1.23 -0.02 0.00 0.41 0.00 0.00 41.25 40.33 1s3y s ASN 53 CO 0.01 -1.19 -0.21 -0.69 -1.51 0.00 0.00 177.10 173.52 1s3y s VAL 54 N -2.92 1.69 -0.15 1.60 1.01 0.58 -1.44 120.40 120.78 1s3y s VAL 54 Ca 0.56 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1s3y s VAL 54 Cb -0.10 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.84 1s3y s VAL 54 CO 0.42 0.28 -0.17 0.68 0.00 0.00 0.00 175.10 176.31 1s3y s VAL 55 N -0.72 1.73 -0.11 2.92 -7.23 -0.40 -0.43 120.40 116.16 1s3y s VAL 55 Ca 0.08 -0.75 -0.04 0.00 -1.81 0.00 0.00 61.98 59.47 1s3y s VAL 55 Cb -0.09 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 1s3y s VAL 55 CO 0.01 0.49 0.03 -0.76 -0.31 0.00 0.00 175.10 174.56 1s3y s LEU 56 N 1.28 3.73 0.08 1.32 1.43 0.23 -2.43 118.68 124.32 1s3y s LEU 56 Ca 0.02 0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 53.12 1s3y s LEU 56 Cb -0.14 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.24 1s3y s LEU 56 CO -0.09 0.34 0.39 0.00 0.23 0.00 0.00 176.35 177.22 1s3y s MET 57 N -0.62 0.97 0.63 1.70 0.23 -1.10 -1.50 119.30 119.61 1s3y s MET 57 Ca 0.11 -0.54 -0.10 0.00 -1.03 0.00 0.00 55.69 54.13 1s3y s MET 57 Cb -0.12 0.43 -0.01 0.00 -1.53 0.00 0.00 34.83 33.60 1s3y s MET 57 CO 0.02 -0.35 1.01 0.20 -2.03 0.00 0.00 175.02 173.87 1s3y s GLY 58 N -2.36 1.62 0.14 3.16 0.00 -0.40 -1.42 107.32 108.06 1s3y s GLY 58 Ca -0.02 -0.33 -0.24 0.00 0.00 0.00 0.00 44.72 44.14 1s3y s GLY 58 CO -0.07 -0.03 1.63 -0.09 0.00 0.00 0.00 173.10 174.54 1s3y h ARG 59 N -0.37 -0.28 -0.90 2.90 2.43 -1.90 -1.87 114.38 114.38 1s3y h ARG 59 Ca -0.45 0.02 0.20 0.00 -0.81 0.00 0.00 59.98 58.94 1s3y h ARG 59 Cb 1.23 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.73 1s3y h ARG 59 CO 0.62 -0.19 0.45 0.87 -1.51 0.00 0.00 179.97 180.22 1s3y h LYS 60 N -0.30 0.51 -0.30 0.20 1.79 -1.94 0.48 116.57 117.01 1s3y h LYS 60 Ca 0.12 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1s3y h LYS 60 Cb 0.48 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1s3y h LYS 60 CO -0.36 0.34 0.11 1.15 -1.08 0.00 0.00 179.45 179.61 1s3y h THR 61 N 0.53 1.19 -0.63 -0.16 2.02 -1.71 -0.39 112.91 113.76 1s3y h THR 61 Ca 0.54 -0.61 0.11 0.00 0.77 0.00 0.00 66.41 67.23 1s3y h THR 61 Cb 0.94 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 1s3y h THR 61 CO -0.46 0.21 0.42 -0.25 0.37 0.00 0.00 175.52 175.81 1s3y h TRP 62 N 0.34 0.41 0.16 3.16 2.91 -0.31 -0.95 115.95 121.67 1s3y h TRP 62 Ca 0.10 0.01 -0.29 0.00 1.13 0.00 0.00 58.89 59.84 1s3y h TRP 62 Cb 0.22 -0.13 0.02 0.00 -0.51 0.00 0.00 29.16 28.75 1s3y h TRP 62 CO 0.00 0.18 -1.29 0.93 -1.03 0.00 0.00 178.44 177.23 1s3y h GLU 63 N 0.38 0.40 0.00 2.65 5.08 -0.94 -3.22 114.58 118.92 1s3y h GLU 63 Ca 0.30 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1s3y h GLU 63 Cb 0.65 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1s3y h GLU 63 CO -0.08 1.29 0.02 1.03 -1.00 0.00 0.00 179.01 180.28 1s3y h SER 64 N 0.13 0.00 -3.43 1.42 0.87 0.33 -3.41 113.55 109.46 1s3y h SER 64 Ca -0.17 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.79 1s3y h SER 64 Cb 2.00 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.84 1s3y h SER 64 CO 0.23 0.00 -0.33 -0.63 -0.53 0.00 0.00 176.83 175.57 1s3y s ILE 65 N -3.58 5.28 0.51 2.23 1.01 -1.06 -5.06 121.20 120.53 1s3y s ILE 65 Ca -0.03 0.50 -0.22 0.00 0.00 0.00 0.00 60.65 60.90 1s3y s ILE 65 Cb 0.07 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.84 1s3y s ILE 65 CO 0.21 0.33 1.25 -2.65 0.00 0.00 0.00 174.94 174.08 1s3y n PRO 66 N 4.08 1.62 -0.13 2.79 -0.02 -1.26 -4.82 135.00 137.26 1s3y n PRO 66 Ca -0.11 0.59 0.28 0.00 -2.02 0.00 0.00 63.50 62.24 1s3y n PRO 66 Cb 0.52 -2.42 0.69 0.00 -0.02 0.00 0.00 33.50 32.26 1s3y n PRO 66 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1s3y h LEU 67 N 1.49 0.00 -0.08 2.45 3.38 -1.92 -2.28 115.31 118.34 1s3y h LEU 67 Ca -0.49 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.49 1s3y h LEU 67 Cb 1.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 1s3y h LEU 67 CO 0.57 0.00 -0.28 1.56 0.09 0.00 0.00 178.44 180.38 1s3y h GLN 68 N 0.00 -0.28 -0.85 1.13 4.20 -2.01 -2.72 115.11 114.57 1s3y h GLN 68 Ca 0.40 0.02 -0.12 0.00 0.06 0.00 0.00 58.65 59.01 1s3y h GLN 68 Cb 1.91 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 29.69 1s3y h GLN 68 CO -0.00 -0.19 0.15 1.19 -0.67 0.00 0.00 178.83 179.30 1s3y n PHE 69 N -4.04 1.42 -4.27 2.96 3.72 -0.86 -4.86 117.46 111.52 1s3y n PHE 69 Ca -0.03 -0.75 -0.34 0.00 -0.05 0.00 0.00 57.45 56.28 1s3y n PHE 69 Cb 0.19 -0.46 -0.15 0.00 -0.94 0.00 0.00 39.48 38.13 1s3y n PHE 69 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1s3y s ARG 70 N -1.97 3.30 0.59 -1.08 0.52 -1.03 -2.89 118.95 116.40 1s3y s ARG 70 Ca 0.32 -0.69 -0.06 0.00 -0.52 0.00 0.00 55.73 54.78 1s3y s ARG 70 Cb 0.25 -2.78 0.01 0.00 0.52 0.00 0.00 34.95 32.95 1s3y s ARG 70 CO 0.08 -0.05 0.91 -1.25 0.02 0.00 0.00 175.30 175.00 1s3y s PRO 71 N 1.04 2.95 -0.25 3.54 0.04 -1.26 -4.94 135.00 136.12 1s3y s PRO 71 Ca -0.01 0.03 -0.28 0.00 0.04 0.00 0.00 61.00 60.78 1s3y s PRO 71 Cb -0.15 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1s3y s PRO 71 CO -0.02 -0.69 2.17 -0.51 0.04 0.00 0.00 177.00 177.99 1s3y s LEU 72 N -5.00 3.44 0.59 -3.56 1.43 -1.14 -4.92 118.68 109.53 1s3y s LEU 72 Ca 0.54 1.76 -0.18 0.00 -1.03 0.00 0.00 54.13 55.22 1s3y s LEU 72 Cb -0.11 -3.47 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 1s3y s LEU 72 CO 0.45 -1.97 1.18 -0.54 0.23 0.00 0.00 176.35 175.70 1s3y s LYS 73 N 6.35 3.02 0.00 1.70 1.02 -1.26 -3.05 119.74 127.52 1s3y s LYS 73 Ca 0.97 1.72 0.00 0.00 0.02 0.00 0.00 55.97 58.68 1s3y s LYS 73 Cb -0.31 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 1s3y s LYS 73 CO 0.34 -1.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.04 1s3y n GLY 74 N 0.31 0.78 2.89 -3.33 0.00 -1.26 -4.98 105.19 99.60 1s3y n GLY 74 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1s3y n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s3y s ARG 75 N -0.19 0.08 -0.12 1.61 0.52 -1.17 -4.53 118.95 115.14 1s3y s ARG 75 Ca 0.00 -0.08 -0.29 0.00 -0.52 0.00 0.00 55.73 54.84 1s3y s ARG 75 Cb 0.00 -0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.39 1s3y s ARG 75 CO 0.00 0.01 1.51 0.42 0.02 0.00 0.00 175.30 177.26 1s3y s ILE 76 N -0.15 3.85 -0.17 1.52 1.01 -0.52 -4.75 121.20 121.99 1s3y s ILE 76 Ca -0.01 1.01 -0.11 0.00 0.00 0.00 0.00 60.65 61.54 1s3y s ILE 76 Cb -0.01 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 1s3y s ILE 76 CO -0.00 -0.13 0.18 0.20 0.00 0.00 0.00 174.94 175.19 1s3y s ASN 77 N 3.02 6.32 -0.05 3.58 0.02 -1.26 -1.27 114.94 125.29 1s3y s ASN 77 Ca 0.66 0.36 -0.02 0.00 -1.02 0.00 0.00 52.86 52.85 1s3y s ASN 77 Cb -0.28 -2.12 0.03 0.00 0.02 0.00 0.00 41.25 38.91 1s3y s ASN 77 CO 0.24 0.20 0.06 -0.69 0.02 0.00 0.00 177.10 176.93 1s3y s VAL 78 N 0.12 -0.08 -0.15 1.60 1.01 -1.02 -0.91 120.40 120.98 1s3y s VAL 78 Ca 0.12 0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.37 1s3y s VAL 78 Cb -0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 1s3y s VAL 78 CO 0.01 0.15 0.18 -0.69 0.00 0.00 0.00 175.10 174.76 1s3y s VAL 79 N 2.15 5.40 -0.13 2.92 1.01 -0.75 -2.70 120.40 128.30 1s3y s VAL 79 Ca 0.05 0.31 -0.14 0.00 0.00 0.00 0.00 61.98 62.20 1s3y s VAL 79 Cb -0.12 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1s3y s VAL 79 CO -0.04 0.50 0.32 -0.63 0.00 0.00 0.00 175.10 175.26 1s3y s ILE 80 N -0.22 5.27 -0.28 2.22 -1.09 -0.50 -1.66 121.20 124.94 1s3y s ILE 80 Ca 0.13 0.61 -0.26 0.00 -2.23 0.00 0.00 60.65 58.91 1s3y s ILE 80 Cb -0.12 -3.65 0.15 0.00 -1.58 0.00 0.00 42.46 37.26 1s3y s ILE 80 CO 0.02 0.42 1.19 0.28 -1.23 0.00 0.00 174.94 175.62 1s3y s THR 81 N 0.21 0.00 -0.07 2.92 -1.32 0.39 -3.23 115.64 114.54 1s3y s THR 81 Ca 0.18 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.63 1s3y s THR 81 Cb -0.14 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.84 1s3y s THR 81 CO 0.06 0.00 -0.07 0.03 -2.21 0.00 0.00 174.62 172.43 1s3y h ARG 82 N 3.58 0.00 -5.77 7.08 3.08 -1.80 -3.26 114.38 117.28 1s3y h ARG 82 Ca -0.26 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.37 1s3y h ARG 82 Cb 1.18 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.17 1s3y h ARG 82 CO 0.16 0.00 1.15 1.21 -1.07 0.00 0.00 179.97 181.42 1s3y s ASN 83 N -4.65 5.63 -0.48 7.04 2.47 -1.26 -4.90 114.94 118.79 1s3y s ASN 83 Ca -0.06 -1.28 -0.09 0.00 0.42 0.00 0.00 52.86 51.86 1s3y s ASN 83 Cb 0.01 -2.57 0.12 0.00 -1.45 0.00 0.00 41.25 37.36 1s3y s ASN 83 CO 0.09 -2.35 0.35 -1.83 -3.72 0.00 0.00 177.10 169.64 1s3y s GLU 84 N 6.10 2.49 0.00 0.43 4.04 -1.26 -4.99 118.70 125.50 1s3y s GLU 84 Ca 0.62 -1.79 0.00 0.00 0.04 0.00 0.00 54.97 53.84 1s3y s GLU 84 Cb -0.03 -3.93 0.00 0.00 0.02 0.00 0.00 34.13 30.20 1s3y s GLU 84 CO 0.01 -1.20 0.00 0.43 -1.84 0.00 0.00 175.26 172.66 1s3y n SER 85 N 4.87 0.00 -2.61 0.83 7.64 -1.26 -4.80 113.62 118.28 1s3y n SER 85 Ca -0.07 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.58 1s3y n SER 85 Cb 0.41 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.51 1s3y n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s3y n LEU 86 N 0.00 6.46 -4.66 -3.43 -0.00 -1.26 -4.92 117.00 109.19 1s3y n LEU 86 Ca 0.00 -3.55 -0.42 0.00 -0.00 0.00 0.00 56.01 52.04 1s3y n LEU 86 Cb 0.00 -1.41 -0.03 0.00 -0.00 0.00 0.00 43.42 41.99 1s3y n LEU 86 CO 0.00 1.71 1.29 -1.81 -0.00 0.00 0.00 177.39 178.58 1s3y s ASP 87 N 2.19 6.74 0.00 1.45 1.11 -1.26 -5.00 116.67 121.90 1s3y s ASP 87 Ca 0.64 2.09 0.00 0.00 0.18 0.00 0.00 52.55 55.46 1s3y s ASP 87 Cb 0.24 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.70 1s3y s ASP 87 CO -0.03 -0.88 0.00 0.18 1.18 0.00 0.00 175.17 175.63 1s3y n LEU 88 N 6.96 0.00 0.00 1.23 4.77 -1.26 -5.07 117.00 123.63 1s3y n LEU 88 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1s3y n LEU 88 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1s3y n LEU 88 CO 0.61 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1s3y n GLY 89 N 5.00 -3.21 0.00 -0.72 0.00 -1.26 -4.97 105.19 100.03 1s3y n GLY 89 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1s3y n GLY 89 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s3y n ASN 90 N -0.33 0.00 0.00 1.61 2.85 -1.26 -4.91 115.26 113.22 1s3y n ASN 90 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1s3y n ASN 90 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1s3y n ASN 90 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1s3y n GLY 91 N -0.58 -0.94 3.89 8.20 0.00 -1.26 -5.09 105.19 109.41 1s3y n GLY 91 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1s3y n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s3y s ILE 92 N -0.02 4.98 0.35 -0.61 1.09 -1.26 -4.67 121.20 121.05 1s3y s ILE 92 Ca 0.00 0.22 0.07 0.00 -1.10 0.00 0.00 60.65 59.84 1s3y s ILE 92 Cb 0.00 -3.70 -0.03 0.00 -1.06 0.00 0.00 42.46 37.67 1s3y s ILE 92 CO 0.00 -0.27 0.30 -1.00 -0.10 0.00 0.00 174.94 173.87 1s3y s HIS 93 N -2.04 2.87 -0.04 3.97 3.76 -0.08 -4.99 115.29 118.73 1s3y s HIS 93 Ca 0.45 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 55.05 1s3y s HIS 93 Cb -0.11 -1.85 0.02 0.00 1.11 0.00 0.00 32.58 31.75 1s3y s HIS 93 CO 0.28 0.14 -0.05 0.45 -0.85 0.00 0.00 174.74 174.70 1s3y s SER 94 N -4.02 0.96 0.02 1.40 0.15 -1.26 -1.81 113.70 109.15 1s3y s SER 94 Ca 0.42 -0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.94 1s3y s SER 94 Cb -0.05 -0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 63.79 1s3y s SER 94 CO 0.27 -0.04 -0.04 0.00 1.20 0.00 0.00 173.24 174.63 1s3y s ALA 95 N 0.80 0.27 -1.17 5.45 0.00 -0.66 -4.98 121.76 121.47 1s3y s ALA 95 Ca -0.11 -0.56 0.26 0.00 0.00 0.00 0.00 51.96 51.55 1s3y s ALA 95 Cb -0.14 0.09 0.77 0.00 0.00 0.00 0.00 23.12 23.83 1s3y s ALA 95 CO 0.01 -0.08 1.59 0.36 0.00 0.00 0.00 175.76 177.63 1s3y n LYS 96 N 1.79 0.18 -3.70 0.00 2.85 -1.23 0.15 118.16 118.19 1s3y n LYS 96 Ca -0.22 -0.09 -0.08 0.00 -1.05 0.00 0.00 58.31 56.88 1s3y n LYS 96 Cb 0.56 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.42 1s3y n LYS 96 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1s3y s SER 97 N -2.88 -0.33 0.18 -5.58 1.04 -1.26 -4.48 113.70 100.39 1s3y s SER 97 Ca 0.15 -0.38 -0.13 0.00 0.48 0.00 0.00 55.95 56.08 1s3y s SER 97 Cb 0.18 0.63 0.09 0.00 0.10 0.00 0.00 66.02 67.02 1s3y s SER 97 CO 0.62 -1.12 1.83 0.25 0.98 0.00 0.00 173.24 175.79 1s3y h LEU 98 N 2.00 0.71 -0.54 2.42 5.85 -1.98 -1.00 115.31 122.77 1s3y h LEU 98 Ca -0.24 -0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.27 1s3y h LEU 98 Cb 1.26 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1s3y h LEU 98 CO 0.28 0.55 -0.66 0.44 -0.34 0.00 0.00 178.44 178.71 1s3y h ASP 99 N 0.81 0.36 -0.54 1.25 3.32 -1.99 -2.77 116.42 116.85 1s3y h ASP 99 Ca 0.22 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1s3y h ASP 99 Cb -0.04 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1s3y h ASP 99 CO -0.04 0.92 0.14 0.45 -1.72 0.00 0.00 179.24 178.99 1s3y h HIS 100 N 0.22 0.94 -0.43 4.55 3.86 -1.84 -2.47 115.15 119.99 1s3y h HIS 100 Ca -0.01 -0.09 -0.08 0.00 -1.16 0.00 0.00 60.37 59.02 1s3y h HIS 100 Cb 1.20 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 1s3y h HIS 100 CO 0.03 0.78 -0.05 0.00 0.86 0.00 0.00 177.93 179.55 1s3y h ALA 101 N 1.28 0.58 -0.01 2.45 0.00 -1.14 -2.54 119.26 119.88 1s3y h ALA 101 Ca 0.19 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1s3y h ALA 101 Cb 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1s3y h ALA 101 CO -0.00 0.41 -0.07 -0.07 0.00 0.00 0.00 179.25 179.52 1s3y h LEU 102 N 0.61 -0.20 -1.26 0.00 3.38 -1.21 -0.50 115.31 116.14 1s3y h LEU 102 Ca 0.11 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1s3y h LEU 102 Cb 0.56 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1s3y h LEU 102 CO 0.03 -0.10 0.51 1.05 0.09 0.00 0.00 178.44 180.02 1s3y h GLU 103 N -0.12 0.98 -0.58 1.13 4.11 -1.43 -1.05 114.58 117.62 1s3y h GLU 103 Ca 0.03 -0.06 -0.10 0.00 0.07 0.00 0.00 59.36 59.30 1s3y h GLU 103 Cb 0.16 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1s3y h GLU 103 CO -0.08 0.65 -0.03 1.25 0.07 0.00 0.00 179.01 180.87 1s3y h LEU 104 N 1.01 1.02 -1.08 3.06 5.85 -1.04 -2.30 115.31 121.83 1s3y h LEU 104 Ca 0.29 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1s3y h LEU 104 Cb -0.06 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 1s3y h LEU 104 CO -0.07 1.08 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.93 1s3y h LEU 105 N 0.94 0.50 -0.15 2.25 3.38 0.06 0.17 115.31 122.46 1s3y h LEU 105 Ca 0.16 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1s3y h LEU 105 Cb 0.58 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1s3y h LEU 105 CO 0.03 0.65 -0.02 1.88 0.09 0.00 0.00 178.44 181.07 1s3y h TYR 106 N 0.48 0.00 0.04 1.13 0.05 -1.08 -1.76 116.97 115.84 1s3y h TYR 106 Ca 0.09 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.52 1s3y h TYR 106 Cb 0.49 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.18 1s3y h TYR 106 CO 0.02 0.02 -2.06 -2.13 -1.05 0.00 0.00 178.16 172.96 1s3y n ARG 107 N -3.11 0.69 0.12 4.88 0.63 -0.88 -3.51 116.66 115.48 1s3y n ARG 107 Ca 0.04 0.21 -0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1s3y n ARG 107 Cb 0.52 -1.67 -0.02 0.00 0.45 0.00 0.00 32.46 31.74 1s3y n ARG 107 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1s3y h THR 108 N 0.03 1.07 -1.46 5.15 2.02 -0.75 -3.35 112.91 115.62 1s3y h THR 108 Ca -0.43 -2.52 -0.56 0.00 0.77 0.00 0.00 66.41 63.67 1s3y h THR 108 Cb 2.04 2.52 -0.42 0.00 -1.74 0.00 0.00 68.15 70.55 1s3y h THR 108 CO 0.04 0.61 -0.79 -1.22 0.37 0.00 0.00 175.52 174.53 1s3y n TYR 109 N -3.25 3.14 -0.17 3.16 4.01 -0.66 -4.79 117.16 118.60 1s3y n TYR 109 Ca 0.01 -3.08 0.00 0.00 -0.16 0.00 0.00 57.90 54.67 1s3y n TYR 109 Cb 0.79 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 1s3y n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s3y n GLY 110 N -0.43 0.10 0.06 2.72 0.00 -1.23 -4.62 105.19 101.78 1s3y n GLY 110 Ca 0.35 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.86 1s3y n GLY 110 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s3y n SER 111 N 0.00 0.34 -0.48 1.61 3.41 -1.26 -2.38 113.62 114.86 1s3y n SER 111 Ca 0.00 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 1s3y n SER 111 Cb 0.00 -0.64 0.42 0.00 -0.26 0.00 0.00 64.21 63.73 1s3y n SER 111 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s3y n GLU 112 N -1.85 1.64 -4.15 4.33 -0.58 -1.26 -4.86 120.64 113.90 1s3y n GLU 112 Ca 0.04 -0.95 -0.30 0.00 -0.42 0.00 0.00 57.16 55.53 1s3y n GLU 112 Cb 0.25 -1.39 -0.08 0.00 -0.57 0.00 0.00 31.44 29.65 1s3y n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1s3y s SER 113 N -1.62 4.92 0.00 1.62 1.04 -1.00 -5.00 113.70 113.65 1s3y s SER 113 Ca 0.33 -0.23 0.28 0.00 0.48 0.00 0.00 55.95 56.80 1s3y s SER 113 Cb 0.17 -1.13 1.35 0.00 0.10 0.00 0.00 66.02 66.52 1s3y s SER 113 CO 0.27 0.16 1.91 -0.24 0.98 0.00 0.00 173.24 176.31 1s3y n SER 114 N 0.47 0.85 -3.98 7.02 2.88 -1.26 -4.66 113.62 114.94 1s3y n SER 114 Ca -0.11 -1.33 -0.31 0.00 -1.33 0.00 0.00 58.87 55.80 1s3y n SER 114 Cb 0.52 -0.01 -0.16 0.00 -0.75 0.00 0.00 64.21 63.82 1s3y n SER 114 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1s3y s VAL 115 N -1.98 1.64 -0.11 2.46 1.01 -1.26 -4.75 120.40 117.41 1s3y s VAL 115 Ca 0.41 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 1s3y s VAL 115 Cb 0.21 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1s3y s VAL 115 CO 0.33 0.05 0.09 -1.10 0.00 0.00 0.00 175.10 174.47 1s3y s GLN 116 N 1.37 3.28 0.31 2.72 -1.52 -1.24 -4.77 119.66 119.80 1s3y s GLN 116 Ca -0.04 -0.23 -0.28 0.00 -1.95 0.00 0.00 55.36 52.86 1s3y s GLN 116 Cb -0.18 -3.05 -0.09 0.00 -0.22 0.00 0.00 33.01 29.48 1s3y s GLN 116 CO -0.07 0.75 1.09 0.42 -0.25 0.00 0.00 175.29 177.23 1s3y s ILE 117 N -0.97 3.51 -0.04 1.08 1.01 -1.26 -0.98 121.20 123.55 1s3y s ILE 117 Ca 0.14 1.44 -0.07 0.00 0.00 0.00 0.00 60.65 62.16 1s3y s ILE 117 Cb -0.12 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 1s3y s ILE 117 CO 0.03 0.28 -0.14 -3.20 0.00 0.00 0.00 174.94 171.92 1s3y n ASN 118 N 0.92 1.19 -3.96 3.58 4.05 -0.04 -4.79 115.26 116.20 1s3y n ASN 118 Ca 0.00 0.18 -0.15 0.00 0.45 0.00 0.00 54.58 55.06 1s3y n ASN 118 Cb 0.46 -0.48 -0.14 0.00 1.23 0.00 0.00 39.78 40.84 1s3y n ASN 118 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1s3y s ARG 119 N -2.14 0.41 -0.19 1.20 0.52 -1.26 -5.02 118.95 112.47 1s3y s ARG 119 Ca -0.12 -0.25 -0.07 0.00 -0.52 0.00 0.00 55.73 54.78 1s3y s ARG 119 Cb 0.02 -0.36 -0.04 0.00 0.52 0.00 0.00 34.95 35.09 1s3y s ARG 119 CO 0.17 0.10 0.06 0.42 0.02 0.00 0.00 175.30 176.07 1s3y s ILE 120 N -0.28 4.63 -0.06 1.52 -1.09 -1.26 -0.31 121.20 124.35 1s3y s ILE 120 Ca 0.00 -0.09 0.05 0.00 -2.23 0.00 0.00 60.65 58.39 1s3y s ILE 120 Cb -0.03 -3.10 -0.01 0.00 -1.58 0.00 0.00 42.46 37.74 1s3y s ILE 120 CO -0.00 0.44 -0.23 -0.36 -1.23 0.00 0.00 174.94 173.56 1s3y s PHE 121 N 0.63 2.50 -0.35 3.97 0.08 0.43 -1.54 117.98 123.70 1s3y s PHE 121 Ca 0.03 -0.66 -0.12 0.00 0.12 0.00 0.00 56.93 56.30 1s3y s PHE 121 Cb -0.13 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.70 1s3y s PHE 121 CO 0.02 -0.17 0.22 0.08 -0.10 0.00 0.00 175.22 175.26 1s3y s VAL 122 N -0.17 4.93 -0.05 -0.44 1.01 0.30 -0.60 120.40 125.38 1s3y s VAL 122 Ca -0.03 -0.51 0.12 0.00 0.00 0.00 0.00 61.98 61.56 1s3y s VAL 122 Cb -0.14 -3.62 -0.18 0.00 0.00 0.00 0.00 36.38 32.45 1s3y s VAL 122 CO 0.04 -0.10 0.20 2.30 0.00 0.00 0.00 175.10 177.54 1s3y n ILE 123 N 5.06 0.23 -3.59 2.22 -5.35 -0.56 -0.94 119.36 116.43 1s3y n ILE 123 Ca -0.12 -0.34 -0.17 0.00 -0.27 0.00 0.00 62.75 61.85 1s3y n ILE 123 Cb 0.48 -0.05 -0.07 0.00 -1.74 0.00 0.00 39.64 38.26 1s3y n ILE 123 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s3y s GLY 124 N -3.71 -0.46 0.00 3.28 0.00 -1.24 -4.77 107.32 100.42 1s3y s GLY 124 Ca -0.05 1.07 0.00 0.00 0.00 0.00 0.00 44.72 45.75 1s3y s GLY 124 CO 0.50 0.76 0.00 0.61 0.00 0.00 0.00 173.10 174.97 1s3y n GLY 125 N 1.07 2.28 0.28 0.20 0.00 -1.26 -1.28 105.19 106.48 1s3y n GLY 125 Ca -0.19 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1s3y n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3y h ALA 126 N 0.00 1.01 -0.20 4.61 0.00 -1.98 0.54 119.26 123.24 1s3y h ALA 126 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1s3y h ALA 126 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1s3y h ALA 126 CO 0.00 0.07 0.04 1.96 0.00 0.00 0.00 179.25 181.33 1s3y h GLN 127 N 0.73 0.32 -0.38 0.00 4.20 -1.94 -1.90 115.11 116.15 1s3y h GLN 127 Ca 0.34 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.93 1s3y h GLN 127 Cb 0.25 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1s3y h GLN 127 CO -0.21 0.46 0.08 1.25 -0.67 0.00 0.00 178.83 179.74 1s3y h LEU 128 N 0.13 0.51 -0.78 1.46 6.46 -1.54 -0.87 115.31 120.70 1s3y h LEU 128 Ca 0.06 -0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.68 1s3y h LEU 128 Cb 0.28 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 1s3y h LEU 128 CO 0.00 0.53 0.18 1.88 -0.62 0.00 0.00 178.44 180.41 1s3y h TYR 129 N 0.55 1.15 -0.18 1.25 0.05 0.23 0.39 116.97 120.41 1s3y h TYR 129 Ca 0.13 -0.13 0.04 0.00 0.05 0.00 0.00 58.73 58.81 1s3y h TYR 129 Cb 0.23 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 1s3y h TYR 129 CO 0.01 0.93 -0.04 0.87 -1.05 0.00 0.00 178.16 178.88 1s3y h LYS 130 N 1.05 0.00 -0.71 4.88 1.57 -0.35 0.40 116.57 123.42 1s3y h LYS 130 Ca 0.22 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1s3y h LYS 130 Cb 0.35 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1s3y h LYS 130 CO -0.00 0.00 0.29 0.00 -0.57 0.00 0.00 179.45 179.17 1s3y h ALA 131 N 1.18 1.17 0.09 3.86 0.00 -1.11 -2.84 119.26 121.60 1s3y h ALA 131 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1s3y h ALA 131 Cb 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1s3y h ALA 131 CO -0.18 0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.63 1s3y h ALA 132 N 1.29 -0.12 -0.95 0.00 0.00 -0.05 -2.58 119.26 116.85 1s3y h ALA 132 Ca 0.24 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.19 1s3y h ALA 132 Cb 0.19 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1s3y h ALA 132 CO -0.02 -0.38 0.63 0.52 0.00 0.00 0.00 179.25 179.99 1s3y h MET 133 N -0.48 0.37 -0.00 0.00 2.07 -0.13 0.46 114.93 117.22 1s3y h MET 133 Ca -0.01 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1s3y h MET 133 Cb 0.40 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.05 1s3y h MET 133 CO 0.02 0.25 -0.15 -0.25 1.07 0.00 0.00 176.91 177.85 1s3y n ASP 134 N -4.52 0.25 -4.75 1.22 10.43 -1.08 -4.88 116.55 113.22 1s3y n ASP 134 Ca 0.21 -0.05 -0.41 0.00 2.57 0.00 0.00 54.79 57.11 1s3y n ASP 134 Cb 0.77 -0.18 -0.04 0.00 1.84 0.00 0.00 41.12 43.51 1s3y n ASP 134 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 1s3y s HIS 135 N -2.80 3.54 -1.45 1.24 2.46 0.16 -4.93 115.29 113.51 1s3y s HIS 135 Ca 0.19 1.63 0.19 0.00 0.47 0.00 0.00 55.06 57.54 1s3y s HIS 135 Cb 0.19 -3.32 0.98 0.00 -0.13 0.00 0.00 32.58 30.30 1s3y s HIS 135 CO 0.55 -0.71 1.59 -0.35 -2.47 0.00 0.00 174.74 173.35 1s3y n PRO 136 N 1.64 0.28 -0.02 2.88 -0.04 -1.26 -3.07 135.00 135.41 1s3y n PRO 136 Ca 0.01 0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1s3y n PRO 136 Cb 0.45 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.25 1s3y n PRO 136 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1s3y n LYS 137 N -1.28 0.66 -1.88 0.54 4.76 -1.26 -4.91 118.16 114.80 1s3y n LYS 137 Ca 0.09 -0.16 -0.42 0.00 -2.87 0.00 0.00 58.31 54.95 1s3y n LYS 137 Cb 0.15 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.82 1s3y n LYS 137 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1s3y s LEU 138 N -4.60 3.45 -0.00 -0.35 1.98 -1.17 -2.46 118.68 115.53 1s3y s LEU 138 Ca -0.08 1.28 0.01 0.00 -2.89 0.00 0.00 54.13 52.45 1s3y s LEU 138 Cb 0.12 -3.29 0.01 0.00 0.66 0.00 0.00 46.19 43.69 1s3y s LEU 138 CO 0.85 -1.96 0.86 -0.90 -1.89 0.00 0.00 176.35 173.31 1s3y n ASP 139 N 11.42 1.40 -3.78 3.68 3.85 -1.17 -4.94 116.55 127.00 1s3y n ASP 139 Ca 0.25 -1.74 -0.13 0.00 -0.71 0.00 0.00 54.79 52.47 1s3y n ASP 139 Cb 0.48 -0.01 -0.11 0.00 -1.35 0.00 0.00 41.12 40.12 1s3y n ASP 139 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 1s3y s ARG 140 N -0.75 0.37 -0.05 0.11 3.52 -1.25 -2.06 118.95 118.84 1s3y s ARG 140 Ca 0.01 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.86 1s3y s ARG 140 Cb 0.01 0.18 0.02 0.00 -1.56 0.00 0.00 34.95 33.60 1s3y s ARG 140 CO 0.00 -0.06 -0.03 0.42 -0.81 0.00 0.00 175.30 174.82 1s3y s ILE 141 N -0.16 0.50 -0.41 4.11 1.01 0.12 -1.39 121.20 124.98 1s3y s ILE 141 Ca -0.03 -0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.43 1s3y s ILE 141 Cb -0.03 -0.56 0.04 0.00 0.01 0.00 0.00 42.46 41.92 1s3y s ILE 141 CO 0.01 0.24 0.27 -0.04 0.00 0.00 0.00 174.94 175.42 1s3y s MET 142 N 1.22 2.87 0.03 2.79 -1.94 0.25 -0.80 119.30 123.72 1s3y s MET 142 Ca -0.06 -1.13 0.06 0.00 -1.71 0.00 0.00 55.69 52.85 1s3y s MET 142 Cb -0.14 -3.88 -0.03 0.00 2.01 0.00 0.00 34.83 32.79 1s3y s MET 142 CO -0.02 -0.79 -0.17 0.00 -0.01 0.00 0.00 175.02 174.04 1s3y s ALA 143 N 1.60 2.63 -0.24 3.03 0.00 -0.30 -0.65 121.76 127.84 1s3y s ALA 143 Ca 0.03 -1.15 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 1s3y s ALA 143 Cb -0.20 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.15 1s3y s ALA 143 CO 0.08 0.57 -0.10 0.99 0.00 0.00 0.00 175.76 177.30 1s3y s THR 144 N -0.91 2.59 -0.38 0.00 2.01 -0.00 -0.69 115.64 118.28 1s3y s THR 144 Ca 0.14 -1.11 -0.20 0.00 0.31 0.00 0.00 61.69 60.83 1s3y s THR 144 Cb -0.11 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 70.10 1s3y s THR 144 CO 0.05 0.23 0.61 -0.63 -0.69 0.00 0.00 174.62 174.19 1s3y s ILE 145 N 1.28 4.90 -0.48 1.82 -1.09 0.06 -0.68 121.20 127.00 1s3y s ILE 145 Ca -0.00 0.42 -0.19 0.00 -2.23 0.00 0.00 60.65 58.65 1s3y s ILE 145 Cb -0.16 -4.09 0.05 0.00 -1.58 0.00 0.00 42.46 36.68 1s3y s ILE 145 CO -0.06 -0.37 0.59 -0.63 -1.23 0.00 0.00 174.94 173.24 1s3y s ILE 146 N 2.67 4.92 -1.38 2.92 1.01 0.44 -1.87 121.20 129.92 1s3y s ILE 146 Ca 0.23 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 1s3y s ILE 146 Cb -0.15 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 38.02 1s3y s ILE 146 CO 0.16 -0.72 2.54 -1.22 0.00 0.00 0.00 174.94 175.70 1s3y n TYR 147 N 6.04 2.41 -3.34 3.97 4.01 -0.00 -3.03 117.16 127.22 1s3y n TYR 147 Ca -0.06 -2.74 -0.07 0.00 -0.16 0.00 0.00 57.90 54.87 1s3y n TYR 147 Cb 0.46 -2.28 -0.07 0.00 -0.31 0.00 0.00 39.34 37.14 1s3y n TYR 147 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1s3y s LYS 148 N 2.89 0.39 -1.01 -0.72 2.20 -1.26 -4.68 119.74 117.54 1s3y s LYS 148 Ca 0.58 0.66 -0.15 0.00 -0.36 0.00 0.00 55.97 56.70 1s3y s LYS 148 Cb 0.15 -0.23 -0.09 0.00 -1.51 0.00 0.00 37.83 36.16 1s3y s LYS 148 CO -0.05 -0.61 2.13 -3.47 -0.36 0.00 0.00 175.35 172.99 1s3y n ASP 149 N 5.38 4.04 -2.18 1.43 -0.08 -1.26 -4.79 116.55 119.08 1s3y n ASP 149 Ca -0.04 -2.59 0.00 0.00 -1.51 0.00 0.00 54.79 50.65 1s3y n ASP 149 Cb 0.50 -1.24 0.00 0.00 2.34 0.00 0.00 41.12 42.72 1s3y n ASP 149 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1s3y n ILE 150 N 5.09 0.00 -4.08 5.18 -6.64 -1.26 -5.03 119.36 112.61 1s3y n ILE 150 Ca 0.51 0.00 -0.35 0.00 -1.77 0.00 0.00 62.75 61.14 1s3y n ILE 150 Cb 0.30 -1.67 -0.09 0.00 -1.44 0.00 0.00 39.64 36.74 1s3y n ILE 150 CO 0.00 0.00 0.00 -2.28 -1.77 0.00 0.00 176.55 172.50 1s3y s HIS 151 N -0.99 3.25 0.05 4.28 5.65 -1.26 -5.07 115.29 121.21 1s3y s HIS 151 Ca 0.00 0.11 -0.00 0.00 0.25 0.00 0.00 55.06 55.41 1s3y s HIS 151 Cb 0.00 -2.01 -0.04 0.00 -1.18 0.00 0.00 32.58 29.35 1s3y s HIS 151 CO 0.00 0.25 -0.04 0.00 -0.65 0.00 0.00 174.74 174.30 1s3y n ASP 153 N 0.44 0.96 -3.92 0.00 5.75 0.26 -4.92 116.55 115.11 1s3y n ASP 153 Ca -0.16 -1.13 -0.23 0.00 -0.01 0.00 0.00 54.79 53.26 1s3y n ASP 153 Cb 0.59 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.52 1s3y n ASP 153 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1s3y s VAL 154 N -0.13 0.81 0.27 2.12 1.01 -0.67 -4.93 120.40 118.89 1s3y s VAL 154 Ca 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 61.98 61.84 1s3y s VAL 154 Cb 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1s3y s VAL 154 CO 0.00 0.30 -0.18 -0.36 0.00 0.00 0.00 175.10 174.86 1s3y s PHE 155 N 1.11 2.17 0.19 5.22 0.40 -1.26 -0.12 117.98 125.68 1s3y s PHE 155 Ca -0.07 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.56 1s3y s PHE 155 Cb -0.14 -0.97 -0.08 0.00 0.51 0.00 0.00 43.02 42.33 1s3y s PHE 155 CO -0.01 0.63 1.22 0.12 0.70 0.00 0.00 175.22 177.88 1s3y s PHE 156 N -2.62 3.39 0.45 0.36 5.36 0.13 -4.84 117.98 120.21 1s3y s PHE 156 Ca 0.29 1.38 0.41 0.00 -0.96 0.00 0.00 56.93 58.04 1s3y s PHE 156 Cb -0.04 -3.47 2.04 0.00 -0.34 0.00 0.00 43.02 41.22 1s3y s PHE 156 CO 0.13 -1.35 2.23 -1.00 -1.46 0.00 0.00 175.22 173.77 1s3y h PRO 157 N 5.28 0.00 -3.64 10.12 0.13 -1.91 -3.43 132.00 138.55 1s3y h PRO 157 Ca -0.45 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.31 1s3y h PRO 157 Cb 1.21 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.98 1s3y h PRO 157 CO 0.75 0.00 -0.75 -1.17 -0.23 0.00 0.00 178.00 176.60 1s3y s LEU 158 N -6.16 0.80 -1.23 1.56 0.20 -1.26 -5.06 118.68 107.53 1s3y s LEU 158 Ca -0.03 -0.02 -0.17 0.00 0.69 0.00 0.00 54.13 54.60 1s3y s LEU 158 Cb 0.11 -0.27 -0.02 0.00 -0.43 0.00 0.00 46.19 45.59 1s3y s LEU 158 CO 0.46 -0.16 2.06 0.29 -0.29 0.00 0.00 176.35 178.72 1s3y n LYS 159 N 4.65 2.46 0.00 1.98 5.02 -1.26 -4.75 118.16 126.25 1s3y n LYS 159 Ca -0.16 -2.48 0.06 0.00 -2.02 0.00 0.00 58.31 53.71 1s3y n LYS 159 Cb 0.50 -3.25 0.27 0.00 -0.02 0.00 0.00 35.03 32.54 1s3y n LYS 159 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1s3y n PHE 160 N 7.30 0.00 1.02 2.13 -1.74 -1.26 -2.23 117.46 122.68 1s3y n PHE 160 Ca 0.51 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.51 1s3y n PHE 160 Cb 0.41 -0.49 0.07 0.00 1.52 0.00 0.00 39.48 40.99 1s3y n PHE 160 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1s3y n ARG 161 N -1.49 1.78 -2.92 3.97 1.74 -1.26 -4.75 116.66 113.73 1s3y n ARG 161 Ca 0.03 -1.46 -0.28 0.00 -0.77 0.00 0.00 57.85 55.37 1s3y n ARG 161 Cb 0.14 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 1s3y n ARG 161 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1s3y s ASP 162 N -2.23 6.38 0.25 0.55 1.11 -0.95 -4.98 116.67 116.82 1s3y s ASP 162 Ca 0.24 0.90 -0.03 0.00 0.18 0.00 0.00 52.55 53.84 1s3y s ASP 162 Cb 0.19 -2.23 0.51 0.00 1.07 0.00 0.00 42.92 42.46 1s3y s ASP 162 CO 0.43 -0.42 1.72 0.50 1.18 0.00 0.00 175.17 178.58 1s3y h LYS 163 N 0.90 0.40 -0.64 8.23 3.64 -1.93 -1.94 116.57 125.23 1s3y h LYS 163 Ca -0.47 -0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.07 1s3y h LYS 163 Cb 1.20 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1s3y h LYS 163 CO 0.63 0.27 0.55 1.05 -2.27 0.00 0.00 179.45 179.68 1s3y h GLU 164 N 0.42 0.00 -0.29 1.90 4.11 -1.94 -0.12 114.58 118.65 1s3y h GLU 164 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 1s3y h GLU 164 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1s3y h GLU 164 CO -0.44 0.00 0.00 0.91 0.07 0.00 0.00 179.01 179.55 1s3y n TRP 165 N -3.96 0.37 0.29 2.06 7.02 -0.75 -4.67 117.44 117.80 1s3y n TRP 165 Ca 0.13 -0.32 0.18 0.00 -1.02 0.00 0.00 57.50 56.46 1s3y n TRP 165 Cb 0.79 -0.01 0.89 0.00 -2.42 0.00 0.00 31.31 30.56 1s3y n TRP 165 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1s3y h SER 166 N 2.60 0.00 1.32 -0.99 4.64 -0.83 -0.67 113.55 119.62 1s3y h SER 166 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1s3y h SER 166 Cb 0.71 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1s3y h SER 166 CO 0.00 0.00 -0.69 0.77 -0.87 0.00 0.00 176.83 176.04 1s3y h SER 167 N 0.00 0.00 0.00 4.97 4.64 -1.83 -3.41 113.55 117.92 1s3y h SER 167 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s3y h SER 167 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1s3y h SER 167 CO 0.00 0.10 -0.36 0.52 -0.87 0.00 0.00 176.83 176.22 1s3y n VAL 168 N -2.87 0.67 -2.99 0.95 0.31 -0.42 -4.93 118.33 109.05 1s3y n VAL 168 Ca 0.00 0.35 -0.40 0.00 -0.01 0.00 0.00 64.34 64.29 1s3y n VAL 168 Cb 0.59 -1.90 -0.05 0.00 -0.91 0.00 0.00 33.84 31.57 1s3y n VAL 168 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 1s3y s TRP 169 N -1.74 3.69 -0.02 3.52 0.52 -0.39 -4.51 118.94 120.01 1s3y s TRP 169 Ca -0.10 1.43 0.05 0.00 0.02 0.00 0.00 56.10 57.49 1s3y s TRP 169 Cb 0.01 -2.83 -0.01 0.00 -1.15 0.00 0.00 33.47 29.49 1s3y s TRP 169 CO 0.15 0.21 -0.18 0.15 0.02 0.00 0.00 176.95 177.31 1s3y s LYS 170 N 0.21 1.55 -0.03 4.98 -0.14 -0.63 -4.47 119.74 121.21 1s3y s LYS 170 Ca 0.39 -0.63 -0.26 0.00 -1.36 0.00 0.00 55.97 54.11 1s3y s LYS 170 Cb -0.20 -1.45 -0.04 0.00 -1.68 0.00 0.00 37.83 34.47 1s3y s LYS 170 CO 0.22 0.34 0.82 0.21 -0.76 0.00 0.00 175.35 176.18 1s3y s LYS 171 N -0.28 4.49 0.61 1.68 2.20 -1.26 -1.77 119.74 125.41 1s3y s LYS 171 Ca 0.04 1.11 -0.09 0.00 -0.36 0.00 0.00 55.97 56.66 1s3y s LYS 171 Cb -0.08 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 1s3y s LYS 171 CO 0.00 0.04 0.98 -1.21 -0.36 0.00 0.00 175.35 174.80 1s3y s GLU 172 N 0.81 3.26 0.74 4.03 0.41 0.08 -4.99 118.70 123.03 1s3y s GLU 172 Ca 0.43 0.44 -0.13 0.00 -0.41 0.00 0.00 54.97 55.30 1s3y s GLU 172 Cb -0.19 -2.15 0.04 0.00 -1.78 0.00 0.00 34.13 30.05 1s3y s GLU 172 CO 0.22 -0.66 1.13 0.15 -0.49 0.00 0.00 175.26 175.61 1s3y s LYS 173 N -5.12 2.28 0.12 1.61 1.02 -1.26 -4.72 119.74 113.66 1s3y s LYS 173 Ca 0.54 1.42 -0.19 0.00 0.02 0.00 0.00 55.97 57.76 1s3y s LYS 173 Cb -0.11 -1.88 -0.06 0.00 -0.52 0.00 0.00 37.83 35.26 1s3y s LYS 173 CO 0.50 -1.66 1.74 1.25 -0.92 0.00 0.00 175.35 176.26 1s3y h HIS 174 N -0.61 0.30 -0.68 3.18 -0.00 -1.98 -2.01 115.15 113.36 1s3y h HIS 174 Ca -0.46 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.01 1s3y h HIS 174 Cb 1.25 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 28.52 1s3y h HIS 174 CO 0.53 0.24 0.45 0.66 -0.00 0.00 0.00 177.93 179.81 1s3y h SER 175 N 0.28 0.48 -0.32 3.26 4.64 -1.99 -0.49 113.55 119.41 1s3y h SER 175 Ca 0.08 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.30 1s3y h SER 175 Cb 0.02 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1s3y h SER 175 CO -0.02 0.29 -0.19 0.44 -0.87 0.00 0.00 176.83 176.48 1s3y h ASP 176 N 0.54 0.80 0.57 4.97 3.32 -1.74 -0.26 116.42 124.62 1s3y h ASP 176 Ca 0.31 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1s3y h ASP 176 Cb 0.51 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.85 1s3y h ASP 176 CO -0.10 0.98 -0.28 0.25 -1.72 0.00 0.00 179.24 178.37 1s3y h LEU 177 N 0.70 -0.65 -1.70 1.55 6.46 -0.62 -1.40 115.31 119.64 1s3y h LEU 177 Ca 0.10 -0.02 0.20 0.00 -0.12 0.00 0.00 57.88 58.04 1s3y h LEU 177 Cb 0.70 0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.75 1s3y h LEU 177 CO 0.05 -0.38 0.57 -0.33 -0.62 0.00 0.00 178.44 177.72 1s3y h GLU 178 N -0.89 0.25 -0.10 1.25 5.08 -1.04 0.22 114.58 119.35 1s3y h GLU 178 Ca -0.08 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1s3y h GLU 178 Cb 0.63 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1s3y h GLU 178 CO 0.13 0.16 -0.06 1.03 -1.00 0.00 0.00 179.01 179.27 1s3y h SER 179 N 0.26 0.24 -0.42 1.42 0.87 -0.71 0.02 113.55 115.22 1s3y h SER 179 Ca 0.42 -0.44 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 1s3y h SER 179 Cb 1.23 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 1s3y h SER 179 CO -0.10 0.62 0.02 -0.25 -0.53 0.00 0.00 176.83 176.58 1s3y h TRP 180 N -0.15 0.85 -0.01 2.24 7.01 0.04 -0.74 115.95 125.19 1s3y h TRP 180 Ca 0.02 -0.11 0.00 0.00 2.11 0.00 0.00 58.89 60.91 1s3y h TRP 180 Cb 0.54 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 1s3y h TRP 180 CO 0.07 0.78 -0.02 0.28 -2.79 0.00 0.00 178.44 176.76 1s3y n VAL 181 N -4.22 0.00 0.00 2.65 0.31 -0.11 -4.94 118.33 112.02 1s3y n VAL 181 Ca 0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1s3y n VAL 181 Cb 0.29 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 1s3y n VAL 181 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s3y n GLY 182 N 1.12 0.71 3.59 2.92 0.00 -0.01 -4.83 105.19 108.69 1s3y n GLY 182 Ca 0.20 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1s3y n GLY 182 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s3y s THR 183 N 0.00 1.72 0.62 2.61 -4.23 -1.25 -4.64 115.64 110.47 1s3y s THR 183 Ca 0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.37 1s3y s THR 183 Cb 0.00 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 1s3y s THR 183 CO 0.00 0.00 1.05 -0.75 -0.54 0.00 0.00 174.62 174.38 1s3y s LYS 184 N -5.19 3.27 -0.14 3.99 2.47 -1.26 -4.70 119.74 118.17 1s3y s LYS 184 Ca 0.69 1.06 -0.14 0.00 -1.56 0.00 0.00 55.97 56.03 1s3y s LYS 184 Cb -0.14 -2.03 0.04 0.00 -1.46 0.00 0.00 37.83 34.24 1s3y s LYS 184 CO 0.57 -0.83 0.39 0.08 0.16 0.00 0.00 175.35 175.71 1s3y s VAL 185 N -2.72 0.00 0.32 4.02 1.01 -1.26 -5.08 120.40 116.69 1s3y s VAL 185 Ca 0.61 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 1s3y s VAL 185 Cb -0.14 -0.54 -0.13 0.00 0.00 0.00 0.00 36.38 35.56 1s3y s VAL 185 CO 0.43 -0.01 1.25 -2.65 0.00 0.00 0.00 175.10 174.13 1s3y n PRO 186 N 2.83 1.96 -3.54 2.72 -0.02 -1.26 -5.01 135.00 132.68 1s3y n PRO 186 Ca -0.13 0.69 -0.21 0.00 -2.02 0.00 0.00 63.50 61.82 1s3y n PRO 186 Cb 0.57 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 1s3y n PRO 186 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1s3y s HIS 187 N -0.93 3.33 0.00 6.00 2.46 -1.26 -4.79 115.29 120.10 1s3y s HIS 187 Ca 0.58 0.04 0.00 0.00 0.47 0.00 0.00 55.06 56.15 1s3y s HIS 187 Cb -0.61 -1.88 0.00 0.00 -0.13 0.00 0.00 32.58 29.96 1s3y s HIS 187 CO 0.60 0.11 0.00 0.41 -2.47 0.00 0.00 174.74 173.39 1s3y n GLY 188 N -1.67 -0.45 3.90 1.59 0.00 -1.26 -4.85 105.19 102.45 1s3y n GLY 188 Ca -0.04 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 1s3y n GLY 188 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s3y s LYS 189 N 0.00 3.57 -0.18 1.61 -2.85 -1.26 -4.55 119.74 116.08 1s3y s LYS 189 Ca 0.00 0.36 -0.01 0.00 -1.00 0.00 0.00 55.97 55.32 1s3y s LYS 189 Cb 0.00 -2.29 0.05 0.00 -2.06 0.00 0.00 37.83 33.52 1s3y s LYS 189 CO 0.00 -0.30 -0.03 0.42 0.10 0.00 0.00 175.35 175.54 1s3y s ILE 190 N -2.85 1.03 -0.20 3.79 1.09 0.58 -4.93 121.20 119.70 1s3y s ILE 190 Ca 0.50 -0.66 -0.23 0.00 -1.10 0.00 0.00 60.65 59.15 1s3y s ILE 190 Cb -0.10 -1.27 -0.02 0.00 -1.06 0.00 0.00 42.46 40.00 1s3y s ILE 190 CO 0.47 0.04 0.74 0.21 -0.10 0.00 0.00 174.94 176.30 1s3y s ASN 191 N 1.66 6.79 -0.12 3.58 2.47 -1.25 -2.85 114.94 125.22 1s3y s ASN 191 Ca -0.00 0.97 -0.04 0.00 0.42 0.00 0.00 52.86 54.21 1s3y s ASN 191 Cb -0.16 -2.40 0.06 0.00 -1.45 0.00 0.00 41.25 37.30 1s3y s ASN 191 CO -0.07 -0.38 0.24 -0.70 -3.72 0.00 0.00 177.10 172.47 1s3y s GLU 192 N 2.26 0.13 -1.43 0.43 2.12 0.17 -4.89 118.70 117.49 1s3y s GLU 192 Ca 0.33 0.71 -0.11 0.00 0.36 0.00 0.00 54.97 56.26 1s3y s GLU 192 Cb -0.16 -0.09 0.04 0.00 0.26 0.00 0.00 34.13 34.18 1s3y s GLU 192 CO 0.10 -0.29 1.09 -0.25 -0.54 0.00 0.00 175.26 175.36 1s3y n ASP 193 N 5.35 -5.81 0.00 -1.70 8.00 -1.26 -1.83 116.55 119.30 1s3y n ASP 193 Ca -0.06 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.83 1s3y n ASP 193 Cb 0.50 -4.59 0.00 0.00 -0.02 0.00 0.00 41.12 37.00 1s3y n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s3y n GLY 194 N -1.87 0.43 3.23 0.44 0.00 -1.26 -4.87 105.19 101.29 1s3y n GLY 194 Ca 0.02 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 1s3y n GLY 194 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s3y s PHE 195 N -2.00 2.14 -0.23 1.61 0.40 -0.76 -5.10 117.98 114.03 1s3y s PHE 195 Ca 0.00 -0.56 -0.05 0.00 -0.60 0.00 0.00 56.93 55.72 1s3y s PHE 195 Cb 0.00 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 42.12 1s3y s PHE 195 CO 0.00 -0.15 -0.01 -0.51 0.70 0.00 0.00 175.22 175.25 1s3y s ASP 196 N -0.24 4.52 0.17 1.36 1.01 -1.26 -0.65 116.67 121.58 1s3y s ASP 196 Ca 0.00 -0.36 -0.01 0.00 0.71 0.00 0.00 52.55 52.89 1s3y s ASP 196 Cb -0.12 -1.79 -0.04 0.00 1.01 0.00 0.00 42.92 41.99 1s3y s ASP 196 CO 0.02 -0.03 0.10 -0.72 0.21 0.00 0.00 175.17 174.75 1s3y s TYR 197 N 1.51 1.05 0.05 4.23 -0.85 -1.13 -0.82 117.35 121.39 1s3y s TYR 197 Ca 0.06 -1.32 -0.09 0.00 -0.52 0.00 0.00 57.07 55.19 1s3y s TYR 197 Cb -0.15 -0.53 0.00 0.00 0.38 0.00 0.00 41.96 41.66 1s3y s TYR 197 CO -0.02 -0.59 0.19 -2.00 -1.52 0.00 0.00 175.55 171.61 1s3y s GLU 198 N -4.12 0.74 -0.14 -3.49 2.12 -0.78 -0.31 118.70 112.72 1s3y s GLU 198 Ca 0.33 -0.74 -0.06 0.00 0.36 0.00 0.00 54.97 54.87 1s3y s GLU 198 Cb 0.07 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.73 1s3y s GLU 198 CO 0.08 -0.22 0.06 -0.06 -0.54 0.00 0.00 175.26 174.58 1s3y s PHE 199 N -2.98 3.30 0.06 5.30 0.08 -1.26 -0.76 117.98 121.71 1s3y s PHE 199 Ca -0.02 0.20 0.02 0.00 0.12 0.00 0.00 56.93 57.25 1s3y s PHE 199 Cb 0.01 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 1s3y s PHE 199 CO -0.06 0.37 -0.07 -1.21 -0.10 0.00 0.00 175.22 174.15 1s3y s GLU 200 N -0.29 0.61 -0.09 0.44 2.02 0.14 -4.98 118.70 116.54 1s3y s GLU 200 Ca 0.08 -0.94 0.04 0.00 0.02 0.00 0.00 54.97 54.18 1s3y s GLU 200 Cb -0.12 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.89 1s3y s GLU 200 CO 0.02 0.02 -0.22 1.41 0.02 0.00 0.00 175.26 176.50 1s3y s MET 201 N -2.33 2.83 -0.01 1.61 1.75 -1.26 -1.14 119.30 120.74 1s3y s MET 201 Ca -0.03 -0.82 0.06 0.00 -1.25 0.00 0.00 55.69 53.65 1s3y s MET 201 Cb -0.05 -2.17 -0.02 0.00 2.84 0.00 0.00 34.83 35.44 1s3y s MET 201 CO -0.02 0.17 -0.20 -1.58 -0.65 0.00 0.00 175.02 172.74 1s3y s TRP 202 N 0.35 1.81 0.16 4.11 0.52 0.02 -0.74 118.94 125.16 1s3y s TRP 202 Ca -0.17 -0.34 -0.00 0.00 0.02 0.00 0.00 56.10 55.60 1s3y s TRP 202 Cb -0.17 -1.16 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 1s3y s TRP 202 CO 0.08 -0.03 0.05 0.95 0.02 0.00 0.00 176.95 178.02 1s3y s THR 203 N -0.48 0.29 0.11 2.01 -4.23 -0.73 0.12 115.64 112.73 1s3y s THR 203 Ca 0.08 -1.95 -0.07 0.00 -1.18 0.00 0.00 61.69 58.57 1s3y s THR 203 Cb -0.08 -2.16 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 1s3y s THR 203 CO -0.01 -0.38 0.19 0.00 -0.54 0.00 0.00 174.62 173.87 1s3y s ARG 204 N -4.02 0.94 0.30 3.99 1.70 -0.87 -1.61 118.95 119.37 1s3y s ARG 204 Ca 0.27 -1.11 -0.17 0.00 -0.47 0.00 0.00 55.73 54.24 1s3y s ARG 204 Cb 0.07 0.33 -0.09 0.00 -0.57 0.00 0.00 34.95 34.69 1s3y s ARG 204 CO 0.04 -0.30 0.76 -0.51 -1.08 0.00 0.00 175.30 174.21 1s3y s ASP 205 N -2.92 6.90 0.00 -2.89 1.01 -1.26 -4.83 116.67 112.67 1s3y s ASP 205 Ca 0.11 1.38 0.27 0.00 0.71 0.00 0.00 52.55 55.03 1s3y s ASP 205 Cb 0.05 -2.41 0.92 0.00 1.01 0.00 0.00 42.92 42.49 1s3y s ASP 205 CO -0.06 -0.14 1.67 0.18 0.21 0.00 0.00 175.17 177.03