#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7y s GLU 2 N 0.00 4.20 0.20 0.03 2.02 -1.26 -4.96 118.70 118.93 1q7y s GLU 2 Ca 0.00 1.42 -0.32 0.00 0.02 0.00 0.00 54.97 56.09 1q7y s GLU 2 Cb 0.00 -2.49 -0.12 0.00 0.10 0.00 0.00 34.13 31.62 1q7y s GLU 2 CO 0.00 -0.09 1.71 0.00 0.02 0.00 0.00 175.26 176.90 1q7y n ALA 3 N -0.13 2.60 0.11 5.21 0.00 -1.26 -4.86 120.51 122.18 1q7y n ALA 3 Ca 0.05 0.40 0.09 0.00 0.00 0.00 0.00 53.44 53.98 1q7y n ALA 3 Cb 0.51 -2.50 0.56 0.00 0.00 0.00 0.00 19.45 18.02 1q7y n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1q7y h LEU 4 N 6.75 0.19 -0.08 0.00 3.38 -1.93 -3.46 115.31 120.16 1q7y h LEU 4 Ca -0.43 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1q7y h LEU 4 Cb 1.21 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1q7y h LEU 4 CO 0.95 0.13 0.00 0.61 0.09 0.00 0.00 178.44 180.22 1q7y n GLY 5 N -1.53 0.73 3.58 0.83 0.00 -1.26 -4.72 105.19 102.82 1q7y n GLY 5 Ca 0.02 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 1q7y n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q7y s ALA 6 N -2.08 -2.01 -0.23 4.61 0.00 -1.26 -4.51 121.76 116.27 1q7y s ALA 6 Ca 0.00 1.54 -0.08 0.00 0.00 0.00 0.00 51.96 53.42 1q7y s ALA 6 Cb 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1q7y s ALA 6 CO 0.00 -0.52 0.08 -0.51 0.00 0.00 0.00 175.76 174.82 1q7y s ASP 7 N -1.90 5.42 0.09 0.00 1.01 -0.30 -4.95 116.67 116.03 1q7y s ASP 7 Ca 0.07 -0.09 0.04 0.00 0.71 0.00 0.00 52.55 53.28 1q7y s ASP 7 Cb -0.01 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.92 1q7y s ASP 7 CO -0.05 0.03 0.02 -0.69 0.21 0.00 0.00 175.17 174.69 1q7y s VAL 8 N 1.24 4.17 -0.29 -1.27 1.01 -1.26 -0.88 120.40 123.12 1q7y s VAL 8 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1q7y s VAL 8 Cb -0.14 -2.99 0.06 0.00 0.00 0.00 0.00 36.38 33.30 1q7y s VAL 8 CO 0.04 0.12 -0.04 -0.89 0.00 0.00 0.00 175.10 174.33 1q7y s THR 9 N -1.33 2.63 -0.24 3.92 2.01 -1.26 -5.04 115.64 116.32 1q7y s THR 9 Ca 0.27 -1.52 -0.36 0.00 0.31 0.00 0.00 61.69 60.39 1q7y s THR 9 Cb -0.12 -2.54 -0.12 0.00 0.01 0.00 0.00 72.50 69.73 1q7y s THR 9 CO 0.19 -0.09 1.98 0.00 -0.69 0.00 0.00 174.62 176.01 1q7y n GLN 10 N 4.53 1.50 0.00 4.92 3.00 -1.26 -4.77 117.38 125.30 1q7y n GLN 10 Ca -0.13 0.50 0.13 0.00 -0.01 0.00 0.00 57.00 57.49 1q7y n GLN 10 Cb 0.43 -2.47 0.36 0.00 0.00 0.00 0.00 30.24 28.56 1q7y n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1q7y n GLY 11 N 5.22 -0.55 3.39 1.08 0.00 -1.14 -4.81 105.19 108.39 1q7y n GLY 11 Ca 0.31 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1q7y n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q7y s LEU 12 N -2.48 2.51 0.26 0.99 1.43 0.04 -4.90 118.68 116.53 1q7y s LEU 12 Ca 0.24 -0.96 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 1q7y s LEU 12 Cb 0.19 -0.91 -0.06 0.00 0.03 0.00 0.00 46.19 45.45 1q7y s LEU 12 CO 0.52 -0.03 0.01 -1.61 0.23 0.00 0.00 176.35 175.47 1q7y s GLU 13 N -3.22 1.45 0.41 1.70 2.02 -1.26 0.97 118.70 120.76 1q7y s GLU 13 Ca 0.22 -1.75 -0.26 0.00 0.02 0.00 0.00 54.97 53.20 1q7y s GLU 13 Cb -0.04 -0.74 -0.10 0.00 0.10 0.00 0.00 34.13 33.34 1q7y s GLU 13 CO 0.10 -0.11 1.37 1.17 0.02 0.00 0.00 175.26 177.81 1q7y n LYS 14 N -0.51 2.23 -0.35 1.61 4.81 0.17 -1.57 118.16 124.55 1q7y n LYS 14 Ca -0.04 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1q7y n LYS 14 Cb 0.65 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.18 1q7y n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q7y n GLY 15 N 0.65 1.21 3.75 3.14 0.00 -0.61 -4.96 105.19 108.37 1q7y n GLY 15 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1q7y n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q7y s SER 16 N -3.08 7.47 -0.34 1.61 0.01 -0.61 -4.80 113.70 113.97 1q7y s SER 16 Ca 0.00 1.75 -0.14 0.00 1.31 0.00 0.00 55.95 58.87 1q7y s SER 16 Cb 0.00 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1q7y s SER 16 CO 0.00 0.11 0.29 -0.76 0.41 0.00 0.00 173.24 173.30 1q7y s LEU 17 N -0.78 4.46 0.50 2.44 1.43 -1.26 -1.20 118.68 124.26 1q7y s LEU 17 Ca 0.40 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1q7y s LEU 17 Cb -0.24 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 1q7y s LEU 17 CO 0.28 -0.27 0.03 0.27 0.23 0.00 0.00 176.35 176.90 1q7y s ILE 18 N 1.86 0.96 0.06 -0.59 -4.36 -0.17 -4.94 121.20 114.01 1q7y s ILE 18 Ca 0.09 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.32 1q7y s ILE 18 Cb -0.17 -2.14 -0.06 0.00 1.25 0.00 0.00 42.46 41.34 1q7y s ILE 18 CO 0.11 0.00 0.49 -0.89 0.24 0.00 0.00 174.94 174.89 1q7y s THR 19 N -2.96 4.91 -0.85 8.37 2.01 -0.69 -0.78 115.64 125.65 1q7y s THR 19 Ca 0.08 0.92 -0.16 0.00 0.31 0.00 0.00 61.69 62.85 1q7y s THR 19 Cb 0.01 -3.77 0.19 0.00 0.01 0.00 0.00 72.50 68.94 1q7y s THR 19 CO 0.05 0.48 0.87 0.00 -0.69 0.00 0.00 174.62 175.32 1q7y n ALA 21 N 4.80 3.87 0.00 0.00 0.00 -0.92 -4.74 120.51 123.53 1q7y n ALA 21 Ca 0.16 -3.61 0.00 0.00 0.00 0.00 0.00 53.44 49.99 1q7y n ALA 21 Cb 0.47 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.35 1q7y n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1q7y n ASP 22 N 8.44 0.00 -2.04 0.00 5.68 -1.26 -3.49 116.55 123.87 1q7y n ASP 22 Ca 0.49 0.00 -0.23 0.00 -0.50 0.00 0.00 54.79 54.56 1q7y n ASP 22 Cb 0.43 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.56 1q7y n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1q7y n ASN 23 N 0.00 4.39 0.13 -1.12 6.94 -1.01 -4.62 115.26 119.98 1q7y n ASN 23 Ca 0.00 -3.69 0.12 0.00 -0.02 0.00 0.00 54.58 50.99 1q7y n ASN 23 Cb 0.00 -0.81 0.49 0.00 -2.36 0.00 0.00 39.78 37.10 1q7y n ASN 23 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1q7y n THR 24 N -1.08 0.80 0.00 5.53 -2.24 -1.26 -4.86 114.28 111.17 1q7y n THR 24 Ca 0.55 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 62.51 1q7y n THR 24 Cb 1.31 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1q7y n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q7y n GLY 25 N 0.13 0.46 3.50 3.38 0.00 -1.26 -4.99 105.19 106.40 1q7y n GLY 25 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1q7y n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q7y s ALA 26 N -2.00 3.44 -0.06 4.61 0.00 -1.26 -1.23 121.76 125.25 1q7y s ALA 26 Ca 0.00 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 1q7y s ALA 26 Cb 0.00 -2.62 -0.00 0.00 0.00 0.00 0.00 23.12 20.50 1q7y s ALA 26 CO 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 175.76 174.73 1q7y h ARG 27 N 8.47 0.00 -5.83 0.00 3.08 -1.25 -3.40 114.38 115.44 1q7y h ARG 27 Ca -0.31 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.07 1q7y h ARG 27 Cb 1.15 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.08 1q7y h ARG 27 CO 0.64 0.00 -0.57 -2.00 -1.07 0.00 0.00 179.97 176.97 1q7y s GLU 28 N -1.40 3.17 0.09 0.04 2.12 -1.01 0.73 118.70 122.44 1q7y s GLU 28 Ca -0.02 -0.31 0.09 0.00 0.36 0.00 0.00 54.97 55.10 1q7y s GLU 28 Cb 0.00 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 1q7y s GLU 28 CO 0.03 0.72 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.73 1q7y s LEU 29 N -0.89 2.46 -0.20 2.70 1.43 0.04 -2.18 118.68 122.04 1q7y s LEU 29 Ca 0.13 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1q7y s LEU 29 Cb -0.12 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.73 1q7y s LEU 29 CO 0.03 0.21 -0.13 -0.75 0.23 0.00 0.00 176.35 175.94 1q7y s LYS 30 N -1.77 3.10 0.22 1.70 2.20 0.07 -1.00 119.74 124.25 1q7y s LYS 30 Ca 0.15 -0.78 -0.31 0.00 -0.36 0.00 0.00 55.97 54.67 1q7y s LYS 30 Cb -0.10 -2.76 -0.10 0.00 -1.51 0.00 0.00 37.83 33.36 1q7y s LYS 30 CO 0.06 -0.23 1.53 0.08 -0.36 0.00 0.00 175.35 176.43 1q7y s VAL 31 N 1.35 2.53 -0.05 4.02 1.01 -0.34 -1.30 120.40 127.61 1q7y s VAL 31 Ca 0.05 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.47 1q7y s VAL 31 Cb -0.14 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1q7y s VAL 31 CO -0.09 0.05 -0.00 -0.38 0.00 0.00 0.00 175.10 174.68 1q7y n ILE 32 N 3.04 0.34 -3.73 2.22 5.41 0.20 -1.57 119.36 125.27 1q7y n ILE 32 Ca 0.10 -0.19 -0.08 0.00 1.00 0.00 0.00 62.75 63.58 1q7y n ILE 32 Cb 0.39 -0.83 -0.02 0.00 -0.71 0.00 0.00 39.64 38.47 1q7y n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1q7y s SER 33 N -3.85 -0.34 -0.25 4.38 0.01 -1.14 -4.81 113.70 107.69 1q7y s SER 33 Ca -0.04 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.82 1q7y s SER 33 Cb 0.02 0.67 0.06 0.00 0.21 0.00 0.00 66.02 66.97 1q7y s SER 33 CO 0.18 -1.20 -0.10 -0.69 0.41 0.00 0.00 173.24 171.85 1q7y s VAL 34 N -3.81 1.96 0.40 3.43 1.01 -1.26 -1.72 120.40 120.40 1q7y s VAL 34 Ca 0.08 -1.45 -0.20 0.00 0.00 0.00 0.00 61.98 60.41 1q7y s VAL 34 Cb -0.04 -2.09 -0.15 0.00 0.00 0.00 0.00 36.38 34.10 1q7y s VAL 34 CO 0.01 -0.01 0.06 1.57 0.00 0.00 0.00 175.10 176.73 1q7y n HIS 35 N 4.52 -2.10 -0.41 5.22 -0.00 -0.41 -1.27 115.22 120.77 1q7y n HIS 35 Ca -0.14 0.58 0.00 0.00 0.46 0.00 0.00 57.72 58.62 1q7y n HIS 35 Cb 0.43 -1.69 0.00 0.00 -0.12 0.00 0.00 29.99 28.62 1q7y n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1q7y n GLY 36 N 2.25 0.00 3.82 1.57 0.00 -1.26 -4.86 105.19 106.71 1q7y n GLY 36 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1q7y n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1q7y s TYR 37 N -0.64 3.56 -0.04 1.61 5.04 -0.40 -5.07 117.35 121.42 1q7y s TYR 37 Ca 0.00 0.58 0.01 0.00 -2.44 0.00 0.00 57.07 55.22 1q7y s TYR 37 Cb 0.00 -2.11 0.02 0.00 0.35 0.00 0.00 41.96 40.23 1q7y s TYR 37 CO 0.00 0.56 -0.04 -1.54 -1.34 0.00 0.00 175.55 173.18 1q7y s SER 38 N -0.53 0.89 0.00 4.32 1.04 -1.26 -4.86 113.70 113.30 1q7y s SER 38 Ca 0.15 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1q7y s SER 38 Cb -0.13 -0.43 0.00 0.00 0.10 0.00 0.00 66.02 65.56 1q7y s SER 38 CO 0.04 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1q7y n GLY 39 N 4.01 0.62 3.47 7.32 0.00 -1.26 -5.13 105.19 114.23 1q7y n GLY 39 Ca -0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1q7y n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1q7y s THR 40 N 2.26 0.00 -0.05 2.61 -1.32 -1.26 -5.05 115.64 112.83 1q7y s THR 40 Ca 0.00 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 1q7y s THR 40 Cb 0.00 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.87 1q7y s THR 40 CO 0.00 0.00 0.69 1.17 -2.21 0.00 0.00 174.62 174.27 1q7y n LYS 41 N -0.01 0.00 0.00 7.08 4.81 -1.26 0.78 118.16 129.56 1q7y n LYS 41 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 1q7y n LYS 41 Cb 0.62 -0.90 0.00 0.00 0.02 0.00 0.00 35.03 34.77 1q7y n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1q7y n ASN 42 N 1.16 0.00 -4.72 3.14 3.02 -1.26 -4.94 115.26 111.66 1q7y n ASN 42 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 1q7y n ASN 42 Cb 0.03 -0.72 -0.03 0.00 -0.61 0.00 0.00 39.78 38.45 1q7y n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1q7y s ARG 43 N 0.00 4.51 -0.03 3.52 3.52 0.23 -4.99 118.95 125.71 1q7y s ARG 43 Ca 0.00 1.63 -0.30 0.00 -0.13 0.00 0.00 55.73 56.93 1q7y s ARG 43 Cb 0.00 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 1q7y s ARG 43 CO 0.00 -0.12 1.24 -1.01 -0.81 0.00 0.00 175.30 174.60 1q7y s HIS 44 N 0.83 3.15 0.23 5.12 3.76 -1.26 -4.53 115.29 122.60 1q7y s HIS 44 Ca 0.55 1.14 -0.31 0.00 -0.15 0.00 0.00 55.06 56.29 1q7y s HIS 44 Cb -0.26 -3.47 -0.12 0.00 1.11 0.00 0.00 32.58 29.84 1q7y s HIS 44 CO 0.30 -1.54 1.66 -0.35 -0.85 0.00 0.00 174.74 173.96 1q7y n PRO 45 N 5.07 2.69 -4.47 8.40 -0.04 -1.26 -4.82 135.00 140.57 1q7y n PRO 45 Ca 0.11 0.97 -0.33 0.00 -0.04 0.00 0.00 63.50 64.21 1q7y n PRO 45 Cb 0.46 -2.78 -0.10 0.00 -0.04 0.00 0.00 33.50 31.03 1q7y n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1q7y s LYS 46 N 0.56 2.64 -0.01 0.54 -2.85 -1.26 -0.66 119.74 118.70 1q7y s LYS 46 Ca 0.72 -0.66 0.03 0.00 -1.00 0.00 0.00 55.97 55.05 1q7y s LYS 46 Cb -0.52 -2.56 -0.01 0.00 -2.06 0.00 0.00 37.83 32.69 1q7y s LYS 46 CO 0.38 0.62 -0.09 0.00 0.10 0.00 0.00 175.35 176.37 1q7y s ALA 47 N -0.96 0.73 0.00 0.59 0.00 0.27 -4.94 121.76 117.45 1q7y s ALA 47 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1q7y s ALA 47 Cb -0.11 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1q7y s ALA 47 CO 0.06 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.40 1q7y n GLY 48 N 2.93 6.36 3.74 0.00 0.00 -1.26 -0.78 105.19 116.18 1q7y n GLY 48 Ca -0.14 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1q7y n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q7y s LEU 49 N 0.00 4.40 0.00 0.99 1.43 -1.26 -2.49 118.68 121.75 1q7y s LEU 49 Ca 0.00 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 1q7y s LEU 49 Cb 0.00 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1q7y s LEU 49 CO 0.00 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 176.54 1q7y n GLY 50 N 2.36 0.47 3.78 -3.19 0.00 -0.80 -4.97 105.19 102.85 1q7y n GLY 50 Ca 0.07 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 1q7y n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q7y s ASP 51 N -2.48 5.61 -0.33 1.61 1.01 -1.04 -4.89 116.67 116.16 1q7y s ASP 51 Ca 0.00 0.08 -0.17 0.00 0.71 0.00 0.00 52.55 53.17 1q7y s ASP 51 Cb 0.00 -1.57 -0.01 0.00 1.01 0.00 0.00 42.92 42.35 1q7y s ASP 51 CO 0.00 0.23 0.44 -0.75 0.21 0.00 0.00 175.17 175.30 1q7y s LYS 52 N -2.03 3.67 0.47 8.23 2.20 -1.26 -1.45 119.74 129.56 1q7y s LYS 52 Ca 0.26 -0.20 0.05 0.00 -0.36 0.00 0.00 55.97 55.71 1q7y s LYS 52 Cb -0.12 -3.78 -0.03 0.00 -1.51 0.00 0.00 37.83 32.38 1q7y s LYS 52 CO 0.18 -0.54 0.09 0.96 -0.36 0.00 0.00 175.35 175.67 1q7y s ILE 53 N 2.22 1.69 -0.10 5.43 -4.36 -0.26 -1.29 121.20 124.52 1q7y s ILE 53 Ca 0.16 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 1q7y s ILE 53 Cb -0.16 -2.56 -0.02 0.00 1.25 0.00 0.00 42.46 40.96 1q7y s ILE 53 CO 0.12 0.00 -0.10 -0.89 0.24 0.00 0.00 174.94 174.31 1q7y s THR 54 N -2.76 3.35 0.34 8.37 2.01 -0.70 -1.31 115.64 124.92 1q7y s THR 54 Ca 0.24 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.70 1q7y s THR 54 Cb 0.04 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1q7y s THR 54 CO 0.13 0.55 0.11 -0.69 -0.69 0.00 0.00 174.62 174.04 1q7y s VAL 55 N -0.13 0.67 -0.01 3.82 1.01 0.29 0.58 120.40 126.64 1q7y s VAL 55 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.99 1q7y s VAL 55 Cb -0.13 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.70 1q7y s VAL 55 CO 0.03 0.00 -0.01 -0.94 0.00 0.00 0.00 175.10 174.18 1q7y s SER 56 N -3.47 0.23 -0.41 3.32 1.04 -0.42 -2.00 113.70 111.99 1q7y s SER 56 Ca 0.32 -0.03 -0.28 0.00 0.48 0.00 0.00 55.95 56.45 1q7y s SER 56 Cb 0.06 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.14 1q7y s SER 56 CO 0.15 -0.01 1.06 -0.69 0.98 0.00 0.00 173.24 174.73 1q7y s VAL 57 N 0.19 4.40 -0.05 5.02 1.01 -1.07 -0.75 120.40 129.15 1q7y s VAL 57 Ca -0.02 1.32 -0.19 0.00 0.00 0.00 0.00 61.98 63.10 1q7y s VAL 57 Cb -0.03 -4.48 -0.31 0.00 0.00 0.00 0.00 36.38 31.56 1q7y s VAL 57 CO -0.01 -0.74 0.83 0.74 0.00 0.00 0.00 175.10 175.92 1q7y h THR 58 N 5.99 1.34 -3.81 3.92 2.02 -1.77 -2.09 112.91 118.50 1q7y h THR 58 Ca -0.22 -2.53 -0.40 0.00 0.77 0.00 0.00 66.41 64.02 1q7y h THR 58 Cb 1.07 3.05 -0.31 0.00 -1.74 0.00 0.00 68.15 70.22 1q7y h THR 58 CO 1.06 0.74 -0.78 -0.54 0.37 0.00 0.00 175.52 176.37 1q7y s LYS 59 N -2.47 0.79 0.00 6.66 1.02 -1.20 -4.91 119.74 119.62 1q7y s LYS 59 Ca -0.14 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1q7y s LYS 59 Cb 0.02 -0.76 0.00 0.00 -0.52 0.00 0.00 37.83 36.57 1q7y s LYS 59 CO 0.84 0.09 0.00 0.41 -0.92 0.00 0.00 175.35 175.77 1q7y n GLY 60 N 3.28 -0.75 3.71 -3.33 0.00 -1.26 -0.77 105.19 106.07 1q7y n GLY 60 Ca -0.18 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1q7y n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q7y s THR 61 N -2.96 3.10 0.30 2.61 -4.23 -0.37 -4.73 115.64 109.36 1q7y s THR 61 Ca 0.00 0.71 0.22 0.00 -1.18 0.00 0.00 61.69 61.44 1q7y s THR 61 Cb 0.00 -3.46 0.34 0.00 1.34 0.00 0.00 72.50 70.73 1q7y s THR 61 CO 0.00 0.03 1.07 -2.65 -0.54 0.00 0.00 174.62 172.53 1q7y n PRO 62 N 4.53 -0.03 0.09 3.99 -0.02 -1.26 0.21 135.00 142.51 1q7y n PRO 62 Ca 0.13 0.86 -0.06 0.00 -2.02 0.00 0.00 63.50 62.41 1q7y n PRO 62 Cb 0.41 -1.69 -0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1q7y n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1q7y h GLU 63 N 0.00 0.08 0.00 -0.52 4.39 -1.98 -3.29 114.58 113.26 1q7y h GLU 63 Ca 0.60 -0.09 -0.22 0.00 0.34 0.00 0.00 59.36 59.99 1q7y h GLU 63 Cb 1.93 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.58 1q7y h GLU 63 CO -0.33 0.89 -1.11 0.52 -1.16 0.00 0.00 179.01 177.83 1q7y h MET 64 N 0.04 0.00 -6.88 2.33 2.86 0.22 -3.46 114.93 110.04 1q7y h MET 64 Ca -0.02 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.05 1q7y h MET 64 Cb 1.50 0.00 0.15 0.00 0.06 0.00 0.00 31.60 33.31 1q7y h MET 64 CO 0.12 0.91 0.35 0.54 1.06 0.00 0.00 176.91 179.89 1q7y n ARG 65 N -3.30 1.38 -0.20 1.72 1.74 -0.85 -2.77 116.66 114.39 1q7y n ARG 65 Ca -0.03 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 1q7y n ARG 65 Cb 0.95 -2.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1q7y n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1q7y n ARG 66 N -0.70 0.00 -2.81 5.56 1.74 -0.79 -4.94 116.66 114.73 1q7y n ARG 66 Ca 0.11 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.78 1q7y n ARG 66 Cb 0.44 -2.85 -0.05 0.00 -1.02 0.00 0.00 32.46 28.99 1q7y n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1q7y s GLN 67 N -0.12 4.66 -0.75 5.56 -0.21 -1.11 -4.73 119.66 122.95 1q7y s GLN 67 Ca 0.00 1.34 -0.20 0.00 0.02 0.00 0.00 55.36 56.52 1q7y s GLN 67 Cb 0.00 -3.36 0.10 0.00 1.00 0.00 0.00 33.01 30.75 1q7y s GLN 67 CO 0.00 0.28 0.97 0.08 -2.12 0.00 0.00 175.29 174.50 1q7y s VAL 68 N -0.18 4.61 0.53 1.09 1.01 -1.26 -2.59 120.40 123.61 1q7y s VAL 68 Ca 0.44 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1q7y s VAL 68 Cb -0.23 -4.68 0.02 0.00 0.00 0.00 0.00 36.38 31.50 1q7y s VAL 68 CO 0.28 -1.40 0.31 -0.76 0.00 0.00 0.00 175.10 173.53 1q7y s LEU 69 N 3.17 2.66 0.16 3.92 1.43 -0.85 -4.89 118.68 124.28 1q7y s LEU 69 Ca 0.24 -1.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.10 1q7y s LEU 69 Cb -0.14 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 1q7y s LEU 69 CO 0.01 -1.01 0.01 -0.70 0.23 0.00 0.00 176.35 174.89 1q7y s GLU 70 N -4.18 2.47 0.23 1.70 2.12 -1.26 0.11 118.70 119.89 1q7y s GLU 70 Ca 0.29 -1.03 -0.07 0.00 0.36 0.00 0.00 54.97 54.52 1q7y s GLU 70 Cb -0.01 -2.42 0.03 0.00 0.26 0.00 0.00 34.13 31.99 1q7y s GLU 70 CO 0.18 0.47 0.43 0.00 -0.54 0.00 0.00 175.26 175.80 1q7y n ALA 71 N 0.00 -0.87 -2.72 6.30 0.00 -0.43 -0.08 120.51 122.71 1q7y n ALA 71 Ca -0.10 -0.80 -0.18 0.00 0.00 0.00 0.00 53.44 52.37 1q7y n ALA 71 Cb 0.54 0.64 -0.12 0.00 0.00 0.00 0.00 19.45 20.51 1q7y n ALA 71 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1q7y s VAL 72 N -2.51 1.03 -0.33 0.00 1.01 -0.60 -1.10 120.40 117.91 1q7y s VAL 72 Ca 0.11 -1.24 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 1q7y s VAL 72 Cb -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1q7y s VAL 72 CO 0.08 -0.22 0.75 -0.69 0.00 0.00 0.00 175.10 175.01 1q7y s VAL 73 N -1.24 4.81 -0.20 2.92 1.01 -0.53 -0.39 120.40 126.78 1q7y s VAL 73 Ca -0.03 1.00 0.01 0.00 0.00 0.00 0.00 61.98 62.96 1q7y s VAL 73 Cb -0.10 -4.13 -0.21 0.00 0.00 0.00 0.00 36.38 31.94 1q7y s VAL 73 CO 0.02 -0.28 0.03 0.52 0.00 0.00 0.00 175.10 175.38 1q7y n VAL 74 N 5.58 1.58 -3.89 2.92 0.31 0.64 -1.90 118.33 123.57 1q7y n VAL 74 Ca 0.02 -0.63 -0.11 0.00 -0.01 0.00 0.00 64.34 63.61 1q7y n VAL 74 Cb 0.48 -1.41 -0.11 0.00 -0.91 0.00 0.00 33.84 31.89 1q7y n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1q7y s ARG 75 N -2.53 0.33 0.05 5.55 0.52 -0.68 -3.37 118.95 118.81 1q7y s ARG 75 Ca -0.27 -0.28 -0.02 0.00 -0.52 0.00 0.00 55.73 54.63 1q7y s ARG 75 Cb 0.08 0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.65 1q7y s ARG 75 CO 0.68 -0.07 0.01 1.14 0.02 0.00 0.00 175.30 177.09 1q7y s GLN 76 N -0.95 0.59 0.03 3.54 -2.07 -1.11 0.23 119.66 119.91 1q7y s GLN 76 Ca -0.10 -1.05 -0.16 0.00 -1.82 0.00 0.00 55.36 52.22 1q7y s GLN 76 Cb -0.06 0.21 -0.35 0.00 -1.09 0.00 0.00 33.01 31.72 1q7y s GLN 76 CO 0.00 -0.12 1.01 0.00 -1.32 0.00 0.00 175.29 174.86 1q7y h ARG 77 N 3.38 0.56 -6.77 9.60 3.08 -1.71 0.14 114.38 122.66 1q7y h ARG 77 Ca -0.34 -0.92 -0.52 0.00 0.07 0.00 0.00 59.98 58.27 1q7y h ARG 77 Cb 1.16 0.34 0.05 0.00 0.08 0.00 0.00 29.97 31.60 1q7y h ARG 77 CO 0.60 1.44 0.70 0.21 -1.07 0.00 0.00 179.97 181.85 1q7y s LYS 78 N -2.65 4.32 0.67 0.04 2.47 -1.26 -4.08 119.74 119.24 1q7y s LYS 78 Ca -0.09 2.23 -0.17 0.00 -1.56 0.00 0.00 55.97 56.38 1q7y s LYS 78 Cb 0.04 -3.12 -0.03 0.00 -1.46 0.00 0.00 37.83 33.26 1q7y s LYS 78 CO 0.95 -0.32 0.78 -2.30 0.16 0.00 0.00 175.35 174.61 1q7y n PRO 79 N 1.96 0.55 -3.97 4.03 -0.02 -1.26 -4.73 135.00 131.56 1q7y n PRO 79 Ca 0.05 0.23 -0.09 0.00 -2.02 0.00 0.00 63.50 61.67 1q7y n PRO 79 Cb 0.41 -2.02 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 1q7y n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1q7y s ILE 80 N -1.74 0.13 -0.19 4.25 -4.36 -0.64 -4.20 121.20 114.45 1q7y s ILE 80 Ca 0.71 -1.09 -0.04 0.00 -0.26 0.00 0.00 60.65 59.97 1q7y s ILE 80 Cb -0.38 -0.66 -0.02 0.00 1.25 0.00 0.00 42.46 42.64 1q7y s ILE 80 CO 0.52 -0.60 -0.02 -0.60 0.24 0.00 0.00 174.94 174.48 1q7y s ARG 81 N -2.18 3.59 0.51 0.37 3.52 -0.06 -1.42 118.95 123.28 1q7y s ARG 81 Ca -0.09 -0.54 -0.04 0.00 -0.13 0.00 0.00 55.73 54.93 1q7y s ARG 81 Cb -0.04 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.34 1q7y s ARG 81 CO -0.03 0.07 0.79 1.03 -0.81 0.00 0.00 175.30 176.34 1q7y s ARG 82 N 0.83 3.21 0.51 5.12 0.52 -0.83 -1.15 118.95 127.16 1q7y s ARG 82 Ca -0.00 -0.05 0.37 0.00 -0.52 0.00 0.00 55.73 55.52 1q7y s ARG 82 Cb -0.14 -2.39 1.52 0.00 0.52 0.00 0.00 34.95 34.45 1q7y s ARG 82 CO 0.02 -0.38 1.71 -1.35 0.02 0.00 0.00 175.30 175.32 1q7y h PRO 83 N 0.15 0.06 -0.34 3.54 0.11 -1.89 -0.80 132.00 132.82 1q7y h PRO 83 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1q7y h PRO 83 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1q7y h PRO 83 CO 0.60 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 1q7y n ASP 84 N -4.26 1.93 0.00 -2.05 5.75 -1.26 -4.93 116.55 111.74 1q7y n ASP 84 Ca 0.32 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1q7y n ASP 84 Cb 1.43 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 41.29 1q7y n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q7y n GLY 85 N 1.09 2.88 3.31 6.12 0.00 -0.31 -5.04 105.19 113.24 1q7y n GLY 85 Ca 0.13 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 1q7y n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1q7y n THR 86 N 0.00 0.00 -4.35 2.61 -1.04 -1.26 -4.60 114.28 105.64 1q7y n THR 86 Ca 0.00 -0.27 -0.27 0.00 -2.04 0.00 0.00 64.05 61.47 1q7y n THR 86 Cb 0.00 -0.46 -0.10 0.00 -1.82 0.00 0.00 70.33 67.94 1q7y n THR 86 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1q7y s ARG 87 N -3.22 1.81 -0.03 -2.82 1.81 -1.26 -1.96 118.95 113.28 1q7y s ARG 87 Ca 0.52 -1.38 -0.00 0.00 -1.72 0.00 0.00 55.73 53.15 1q7y s ARG 87 Cb -0.20 -2.02 0.03 0.00 -0.45 0.00 0.00 34.95 32.31 1q7y s ARG 87 CO 0.71 0.42 0.03 0.08 -0.68 0.00 0.00 175.30 175.86 1q7y s VAL 88 N -1.69 0.04 0.05 3.52 1.01 -0.51 -4.92 120.40 117.90 1q7y s VAL 88 Ca 0.23 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.44 1q7y s VAL 88 Cb -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 1q7y s VAL 88 CO 0.13 0.14 -0.05 -1.59 0.00 0.00 0.00 175.10 173.73 1q7y s LYS 89 N 1.41 0.53 0.38 2.72 -2.85 -1.26 -1.63 119.74 119.04 1q7y s LYS 89 Ca -0.05 -0.92 0.08 0.00 -1.00 0.00 0.00 55.97 54.08 1q7y s LYS 89 Cb -0.13 -0.03 -0.03 0.00 -2.06 0.00 0.00 37.83 35.58 1q7y s LYS 89 CO -0.03 -0.03 0.28 -0.06 0.10 0.00 0.00 175.35 175.61 1q7y s PHE 90 N -2.38 2.75 0.28 1.78 0.40 0.48 -5.01 117.98 116.30 1q7y s PHE 90 Ca -0.04 -0.42 0.20 0.00 -0.60 0.00 0.00 56.93 56.06 1q7y s PHE 90 Cb -0.03 -1.92 0.90 0.00 0.51 0.00 0.00 43.02 42.48 1q7y s PHE 90 CO -0.03 0.10 1.85 1.49 0.70 0.00 0.00 175.22 179.33 1q7y h GLU 91 N 1.25 0.00 0.00 0.44 4.22 -1.93 -3.37 114.58 115.19 1q7y h GLU 91 Ca -0.43 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 58.73 1q7y h GLU 91 Cb 1.26 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 1q7y h GLU 91 CO 0.60 0.30 -0.18 -0.40 -2.18 0.00 0.00 179.01 177.15 1q7y n ASP 92 N -3.69 -1.10 -4.42 1.04 5.75 -1.26 -4.92 116.55 107.94 1q7y n ASP 92 Ca -0.01 -2.72 -0.34 0.00 -0.01 0.00 0.00 54.79 51.72 1q7y n ASP 92 Cb 0.41 2.11 -0.13 0.00 -1.03 0.00 0.00 41.12 42.47 1q7y n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1q7y s ASN 93 N -2.94 4.47 0.11 -1.12 0.01 -1.26 -2.76 114.94 111.45 1q7y s ASN 93 Ca 0.27 -0.24 -0.16 0.00 -0.71 0.00 0.00 52.86 52.02 1q7y s ASN 93 Cb -0.00 -1.72 0.03 0.00 0.41 0.00 0.00 41.25 39.97 1q7y s ASN 93 CO 0.20 0.13 0.39 0.00 -1.51 0.00 0.00 177.10 176.31 1q7y s ALA 94 N 0.59 -0.91 0.09 0.60 0.00 0.14 -1.70 121.76 120.56 1q7y s ALA 94 Ca -0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.85 1q7y s ALA 94 Cb -0.15 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 1q7y s ALA 94 CO 0.03 -0.61 0.13 0.00 0.00 0.00 0.00 175.76 175.31 1q7y s ALA 95 N -3.58 0.12 -0.19 0.00 0.00 0.22 -0.26 121.76 118.07 1q7y s ALA 95 Ca 0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1q7y s ALA 95 Cb 0.02 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 1q7y s ALA 95 CO -0.10 -0.49 -0.09 0.08 0.00 0.00 0.00 175.76 175.16 1q7y s VAL 96 N -3.91 3.13 0.18 0.00 1.01 0.48 -2.17 120.40 119.12 1q7y s VAL 96 Ca 0.09 -0.59 -0.32 0.00 0.00 0.00 0.00 61.98 61.16 1q7y s VAL 96 Cb 0.06 -2.38 -0.11 0.00 0.00 0.00 0.00 36.38 33.95 1q7y s VAL 96 CO -0.08 0.47 1.68 -0.63 0.00 0.00 0.00 175.10 176.54 1q7y s ILE 97 N 1.13 2.29 0.24 2.22 1.01 -1.26 -1.56 121.20 125.27 1q7y s ILE 97 Ca 0.01 0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.92 1q7y s ILE 97 Cb -0.14 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 1q7y s ILE 97 CO -0.02 0.01 -0.13 0.54 0.00 0.00 0.00 174.94 175.34 1q7y s VAL 98 N 1.35 1.89 0.41 2.92 0.11 0.88 -2.04 120.40 125.92 1q7y s VAL 98 Ca 0.74 -2.23 0.06 0.00 -2.93 0.00 0.00 61.98 57.61 1q7y s VAL 98 Cb -0.47 -2.22 0.06 0.00 -1.53 0.00 0.00 36.38 32.22 1q7y s VAL 98 CO 0.32 -0.47 0.50 -0.90 -3.33 0.00 0.00 175.10 171.22 1q7y n ASP 99 N -0.49 1.71 -0.29 3.54 5.68 -0.84 -4.06 116.55 121.79 1q7y n ASP 99 Ca -0.07 -2.17 0.09 0.00 -0.50 0.00 0.00 54.79 52.14 1q7y n ASP 99 Cb 0.61 -0.23 0.21 0.00 -1.14 0.00 0.00 41.12 40.57 1q7y n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1q7y h GLU 100 N 0.00 0.08 0.00 0.11 5.08 -1.98 0.68 114.58 118.56 1q7y h GLU 100 Ca -0.21 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1q7y h GLU 100 Cb 0.90 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1q7y h GLU 100 CO 0.31 0.05 0.00 0.09 -1.00 0.00 0.00 179.01 178.46 1q7y n ASN 101 N -5.39 0.00 0.00 1.42 3.02 -1.26 -4.91 115.26 108.15 1q7y n ASN 101 Ca 0.18 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1q7y n ASN 101 Cb 0.59 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1q7y n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1q7y n GLU 102 N -1.46 0.00 -3.55 3.52 1.02 0.24 -5.03 120.64 115.37 1q7y n GLU 102 Ca 0.08 0.36 -0.38 0.00 -0.02 0.00 0.00 57.16 57.20 1q7y n GLU 102 Cb 0.32 -3.45 -0.06 0.00 -0.02 0.00 0.00 31.44 28.23 1q7y n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1q7y s ASP 103 N -2.88 6.70 0.28 1.62 1.01 -1.26 -4.45 116.67 117.67 1q7y s ASP 103 Ca 0.00 0.83 -0.30 0.00 0.71 0.00 0.00 52.55 53.79 1q7y s ASP 103 Cb 0.00 -2.22 -0.13 0.00 1.01 0.00 0.00 42.92 41.58 1q7y s ASP 103 CO 0.00 0.29 1.26 -0.81 0.21 0.00 0.00 175.17 176.12 1q7y n PRO 104 N 2.18 1.84 0.25 8.23 -0.04 -1.26 -1.99 135.00 144.21 1q7y n PRO 104 Ca -0.14 0.65 0.13 0.00 -0.04 0.00 0.00 63.50 64.10 1q7y n PRO 104 Cb 0.53 -2.21 0.61 0.00 -0.04 0.00 0.00 33.50 32.39 1q7y n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1q7y h ARG 105 N 3.13 0.00 0.00 0.54 2.43 -1.73 -3.45 114.38 115.30 1q7y h ARG 105 Ca -0.44 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.33 1q7y h ARG 105 Cb 1.30 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 30.91 1q7y h ARG 105 CO 0.68 0.12 0.05 0.41 -1.51 0.00 0.00 179.97 179.72 1q7y n GLY 106 N -0.06 1.07 0.17 2.80 0.00 -1.26 -4.95 105.19 102.95 1q7y n GLY 106 Ca -0.00 -2.08 -0.23 0.00 0.00 0.00 0.00 46.02 43.71 1q7y n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1q7y n THR 107 N -2.47 1.41 -4.95 2.61 -1.04 -1.26 -5.01 114.28 103.57 1q7y n THR 107 Ca 0.14 -0.43 -0.30 0.00 -2.04 0.00 0.00 64.05 61.42 1q7y n THR 107 Cb 0.51 -1.64 -0.15 0.00 -1.82 0.00 0.00 70.33 67.23 1q7y n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1q7y s GLU 108 N -2.48 1.80 -0.19 -2.82 2.02 -1.26 -5.01 118.70 110.77 1q7y s GLU 108 Ca -0.35 -1.06 -0.09 0.00 0.02 0.00 0.00 54.97 53.49 1q7y s GLU 108 Cb 0.12 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.37 1q7y s GLU 108 CO 0.50 0.50 0.11 -0.51 0.02 0.00 0.00 175.26 175.89 1q7y s LEU 109 N -1.11 4.11 -0.11 1.80 1.43 -1.25 -2.39 118.68 121.15 1q7y s LEU 109 Ca 0.11 0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.27 1q7y s LEU 109 Cb -0.10 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 1q7y s LEU 109 CO 0.01 0.19 0.31 -0.54 0.23 0.00 0.00 176.35 176.55 1q7y s LYS 110 N 0.31 4.05 0.00 1.70 1.02 -1.23 -4.58 119.74 121.02 1q7y s LYS 110 Ca 0.07 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.22 1q7y s LYS 110 Cb -0.11 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 1q7y s LYS 110 CO -0.01 0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.26 1q7y n GLY 111 N 2.78 -1.17 3.88 -3.33 0.00 -1.26 -4.63 105.19 101.46 1q7y n GLY 111 Ca -0.13 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 1q7y n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q7y s PRO 112 N -1.27 3.27 0.02 1.61 0.04 -1.26 -4.49 135.00 132.93 1q7y s PRO 112 Ca 0.00 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1q7y s PRO 112 Cb 0.00 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1q7y s PRO 112 CO 0.00 -0.71 -0.04 0.42 0.04 0.00 0.00 177.00 176.72 1q7y s ILE 113 N -3.18 0.20 0.10 0.56 1.01 -0.68 -4.79 121.20 114.42 1q7y s ILE 113 Ca 0.55 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.99 1q7y s ILE 113 Cb -0.11 -0.32 -0.06 0.00 0.01 0.00 0.00 42.46 41.98 1q7y s ILE 113 CO 0.51 -0.46 0.97 0.00 0.00 0.00 0.00 174.94 175.96 1q7y s ALA 114 N -1.39 3.24 0.19 9.38 0.00 -1.22 -0.53 121.76 131.43 1q7y s ALA 114 Ca -0.14 0.58 -0.22 0.00 0.00 0.00 0.00 51.96 52.18 1q7y s ALA 114 Cb -0.10 -3.29 0.12 0.00 0.00 0.00 0.00 23.12 19.85 1q7y s ALA 114 CO -0.01 -0.04 1.57 0.07 0.00 0.00 0.00 175.76 177.35 1q7y h ARG 115 N 5.65 -0.14 -1.60 0.00 0.11 -1.75 -0.15 114.38 116.49 1q7y h ARG 115 Ca -0.43 0.01 0.51 0.00 0.10 0.00 0.00 59.98 60.17 1q7y h ARG 115 Cb 1.21 0.03 -0.11 0.00 1.11 0.00 0.00 29.97 32.21 1q7y h ARG 115 CO 0.72 -0.09 1.09 0.93 0.10 0.00 0.00 179.97 182.72 1q7y h GLU 116 N -0.15 0.01 -0.14 0.08 3.07 -1.86 2.90 114.58 118.50 1q7y h GLU 116 Ca 0.24 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 1q7y h GLU 116 Cb 0.56 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1q7y h GLU 116 CO -0.75 0.01 -0.05 0.28 -1.40 0.00 0.00 179.01 177.10 1q7y h VAL 117 N 0.01 1.13 0.00 3.13 2.07 -1.34 -2.88 116.25 118.37 1q7y h VAL 117 Ca 0.89 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.89 1q7y h VAL 117 Cb 3.16 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 34.01 1q7y h VAL 117 CO -0.28 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.48 1q7y n ALA 118 N -2.50 -0.13 0.00 1.67 0.00 0.97 -0.57 120.51 119.94 1q7y n ALA 118 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1q7y n ALA 118 Cb 0.20 0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1q7y n ALA 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1q7y n GLN 119 N -2.39 0.00 0.00 0.00 6.02 -1.09 -0.40 117.38 119.53 1q7y n GLN 119 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1q7y n GLN 119 Cb 0.00 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.74 1q7y n GLN 119 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1q7y n ARG 120 N -0.54 0.00 -3.80 -1.09 1.74 -0.40 -4.89 116.66 107.68 1q7y n ARG 120 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1q7y n ARG 120 Cb 0.02 -0.76 -0.12 0.00 -1.02 0.00 0.00 32.46 30.58 1q7y n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1q7y s PHE 121 N -1.64 3.04 0.00 -1.55 0.40 0.47 -4.98 117.98 113.73 1q7y s PHE 121 Ca 0.00 -3.12 0.00 0.00 -0.60 0.00 0.00 56.93 53.21 1q7y s PHE 121 Cb 0.00 -2.35 0.00 0.00 0.51 0.00 0.00 43.02 41.18 1q7y s PHE 121 CO 0.00 -0.61 0.57 0.41 0.70 0.00 0.00 175.22 176.29 1q7y n GLY 122 N 2.22 -3.36 0.59 4.36 0.00 -1.17 -0.36 105.19 107.48 1q7y n GLY 122 Ca 0.21 0.49 0.45 0.00 0.00 0.00 0.00 46.02 47.18 1q7y n GLY 122 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1q7y h SER 123 N 0.00 0.11 -0.31 1.61 4.64 -1.92 2.39 113.55 120.07 1q7y h SER 123 Ca 0.00 0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.29 1q7y h SER 123 Cb 0.00 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1q7y h SER 123 CO 0.00 -0.12 -0.23 0.58 -0.87 0.00 0.00 176.83 176.20 1q7y h VAL 124 N 0.02 1.30 0.43 0.95 2.07 -1.49 -3.23 116.25 116.29 1q7y h VAL 124 Ca 0.89 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1q7y h VAL 124 Cb 3.20 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 34.47 1q7y h VAL 124 CO -0.23 0.44 -0.21 0.00 0.02 0.00 0.00 177.57 177.59 1q7y h ALA 125 N 0.74 -0.58 0.00 1.67 0.00 0.69 -2.62 119.26 119.15 1q7y h ALA 125 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1q7y h ALA 125 Cb 0.78 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1q7y h ALA 125 CO 0.06 -0.80 0.00 -1.13 0.00 0.00 0.00 179.25 177.38 1q7y n SER 126 N -5.32 0.11 0.00 0.00 3.41 0.52 -0.65 113.62 111.70 1q7y n SER 126 Ca -0.11 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 1q7y n SER 126 Cb 0.26 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1q7y n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q7y n ALA 127 N -0.07 1.82 -1.78 7.33 0.00 -0.99 -5.02 120.51 121.80 1q7y n ALA 127 Ca 0.00 -0.32 -0.37 0.00 0.00 0.00 0.00 53.44 52.75 1q7y n ALA 127 Cb 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 1q7y n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q7y s ALA 128 N -0.10 3.19 -0.20 0.00 0.00 0.18 -3.91 121.76 120.91 1q7y s ALA 128 Ca 0.00 0.60 -0.21 0.00 0.00 0.00 0.00 51.96 52.35 1q7y s ALA 128 Cb 0.00 -3.22 -0.18 0.00 0.00 0.00 0.00 23.12 19.72 1q7y s ALA 128 CO 0.00 0.04 0.23 1.15 0.00 0.00 0.00 175.76 177.18 1q7y h THR 129 N 2.52 0.91 -3.28 0.00 2.02 -1.83 -3.46 112.91 109.79 1q7y h THR 129 Ca -0.47 -2.08 -0.56 0.00 0.77 0.00 0.00 66.41 64.07 1q7y h THR 129 Cb 1.20 2.13 -0.35 0.00 -1.74 0.00 0.00 68.15 69.39 1q7y h THR 129 CO 0.64 0.31 -0.82 -0.04 0.37 0.00 0.00 175.52 175.98 1q7y s MET 130 N -2.33 1.94 -0.27 6.66 -1.94 -1.26 -5.10 119.30 116.99 1q7y s MET 130 Ca -0.26 -0.46 0.03 0.00 -1.71 0.00 0.00 55.69 53.29 1q7y s MET 130 Cb 0.05 -1.71 0.06 0.00 2.01 0.00 0.00 34.83 35.24 1q7y s MET 130 CO 0.56 -0.09 -0.09 0.42 -0.01 0.00 0.00 175.02 175.82 1q7y s ILE 131 N 1.07 2.25 -2.43 2.53 1.01 -1.26 -1.68 121.20 122.69 1q7y s ILE 131 Ca -0.06 -1.68 0.29 0.00 0.00 0.00 0.00 60.65 59.19 1q7y s ILE 131 Cb -0.15 -2.36 0.60 0.00 0.01 0.00 0.00 42.46 40.57 1q7y s ILE 131 CO -0.02 -0.09 1.81 0.52 0.00 0.00 0.00 174.94 177.17