#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qrg s SER 9 N 0.00 4.59 0.07 5.98 0.15 -1.26 -4.99 113.70 118.23 1qrg s SER 9 Ca 0.00 -0.08 0.26 0.00 0.70 0.00 0.00 55.95 56.83 1qrg s SER 9 Cb 0.00 -1.31 0.66 0.00 -1.71 0.00 0.00 66.02 63.66 1qrg s SER 9 CO 0.00 0.31 1.55 -0.46 1.20 0.00 0.00 173.24 175.83 1qrg n ASN 10 N 2.60 0.50 -4.24 5.45 2.04 -1.26 -4.63 115.26 115.71 1qrg n ASN 10 Ca -0.18 0.15 -0.35 0.00 -0.44 0.00 0.00 54.58 53.76 1qrg n ASN 10 Cb 0.53 -0.09 -0.14 0.00 -2.53 0.00 0.00 39.78 37.55 1qrg n ASN 10 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1qrg s ILE 11 N -3.07 3.12 0.22 1.53 1.01 -1.26 -0.42 121.20 122.34 1qrg s ILE 11 Ca 0.10 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.71 1qrg s ILE 11 Cb 0.16 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 40.09 1qrg s ILE 11 CO 0.66 0.23 0.54 0.00 0.00 0.00 0.00 174.94 176.37 1qrg s ARG 12 N 1.38 1.47 0.64 2.79 1.70 -0.35 -5.00 118.95 121.58 1qrg s ARG 12 Ca 0.02 -0.95 -0.14 0.00 -0.47 0.00 0.00 55.73 54.19 1qrg s ARG 12 Cb -0.16 0.53 -0.01 0.00 -0.57 0.00 0.00 34.95 34.73 1qrg s ARG 12 CO -0.03 -0.63 1.07 -1.21 -1.08 0.00 0.00 175.30 173.42 1qrg s GLU 13 N -3.90 3.05 0.61 3.89 2.02 -1.26 -0.58 118.70 122.53 1qrg s GLU 13 Ca 0.12 1.18 -0.09 0.00 0.02 0.00 0.00 54.97 56.19 1qrg s GLU 13 Cb -0.02 -2.00 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 1qrg s GLU 13 CO 0.01 -1.02 0.99 0.54 0.02 0.00 0.00 175.26 175.79 1qrg s ASN 14 N -3.03 5.94 0.53 -0.19 2.20 -1.05 -4.37 114.94 114.96 1qrg s ASN 14 Ca 0.63 1.15 -0.08 0.00 -0.94 0.00 0.00 52.86 53.62 1qrg s ASN 14 Cb -0.16 -2.18 -0.04 0.00 -2.00 0.00 0.00 41.25 36.87 1qrg s ASN 14 CO 0.43 -0.97 0.88 -2.16 -2.94 0.00 0.00 177.10 172.35 1qrg s PRO 15 N -5.12 3.59 0.12 3.55 0.04 -1.26 -4.55 135.00 131.37 1qrg s PRO 15 Ca 0.54 0.44 -0.30 0.00 0.04 0.00 0.00 61.00 61.73 1qrg s PRO 15 Cb -0.11 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 1qrg s PRO 15 CO 0.50 -0.33 1.13 0.08 0.04 0.00 0.00 177.00 178.42 1qrg s VAL 16 N -2.88 4.00 0.28 -0.36 1.01 -1.26 -4.82 120.40 116.36 1qrg s VAL 16 Ca 0.51 1.58 0.03 0.00 0.00 0.00 0.00 61.98 64.10 1qrg s VAL 16 Cb -0.11 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1qrg s VAL 16 CO 0.47 0.20 0.23 0.42 0.00 0.00 0.00 175.10 176.42 1qrg s THR 17 N 0.36 0.00 0.59 3.92 -4.23 -1.08 -4.99 115.64 110.20 1qrg s THR 17 Ca 0.53 -1.97 0.28 0.00 -1.18 0.00 0.00 61.69 59.35 1qrg s THR 17 Cb -0.29 -2.50 0.35 0.00 1.34 0.00 0.00 72.50 71.40 1qrg s THR 17 CO 0.32 0.00 2.19 -0.65 -0.54 0.00 0.00 174.62 175.94 1qrg h PRO 18 N 2.34 0.00 -0.26 3.99 0.11 -1.95 -1.53 132.00 134.69 1qrg h PRO 18 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1qrg h PRO 18 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1qrg h PRO 18 CO 0.43 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.55 1qrg n TRP 19 N -3.88 0.34 -3.19 0.65 2.14 -1.26 -4.71 117.44 107.53 1qrg n TRP 19 Ca -0.01 -0.24 -0.21 0.00 2.07 0.00 0.00 57.50 59.11 1qrg n TRP 19 Cb 0.18 -0.01 -0.06 0.00 -0.81 0.00 0.00 31.31 30.60 1qrg n TRP 19 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 1qrg n ASN 20 N 1.00 -1.02 -0.18 -0.67 5.15 -0.58 -4.89 115.26 114.07 1qrg n ASN 20 Ca 0.14 -2.61 -0.01 0.00 -0.60 0.00 0.00 54.58 51.50 1qrg n ASN 20 Cb 0.47 -0.01 0.22 0.00 -0.53 0.00 0.00 39.78 39.93 1qrg n ASN 20 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1qrg h PRO 21 N 5.03 0.92 -4.70 1.20 0.13 -1.84 -2.86 132.00 129.87 1qrg h PRO 21 Ca 0.16 -0.12 -0.65 0.00 -0.87 0.00 0.00 66.00 64.52 1qrg h PRO 21 Cb 0.95 -0.17 -0.38 0.00 0.13 0.00 0.00 31.00 31.52 1qrg h PRO 21 CO 0.33 0.71 -0.78 -1.83 -0.23 0.00 0.00 178.00 176.19 1qrg s GLU 22 N -5.54 1.93 0.50 0.86 4.04 -1.26 -4.93 118.70 114.31 1qrg s GLU 22 Ca -0.10 -1.38 -0.23 0.00 0.04 0.00 0.00 54.97 53.30 1qrg s GLU 22 Cb 0.17 -2.87 -0.07 0.00 0.02 0.00 0.00 34.13 31.38 1qrg s GLU 22 CO 0.79 -0.66 1.25 -2.30 -1.84 0.00 0.00 175.26 172.50 1qrg n PRO 23 N 4.45 1.65 -4.60 -4.83 -0.02 -1.26 -5.03 135.00 125.35 1qrg n PRO 23 Ca -0.10 0.60 -0.25 0.00 -2.02 0.00 0.00 63.50 61.73 1qrg n PRO 23 Cb 0.42 -2.42 -0.14 0.00 -0.02 0.00 0.00 33.50 31.35 1qrg n PRO 23 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1qrg s SER 24 N -0.81 2.43 0.08 2.55 0.01 -1.26 -4.96 113.70 111.74 1qrg s SER 24 Ca 0.68 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 57.46 1qrg s SER 24 Cb -0.46 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.54 1qrg s SER 24 CO 0.53 0.15 -0.02 0.00 0.41 0.00 0.00 173.24 174.30 1qrg s ALA 25 N -0.83 3.23 0.42 1.44 0.00 -1.26 -2.53 121.76 122.24 1qrg s ALA 25 Ca 0.07 -1.12 -0.25 0.00 0.00 0.00 0.00 51.96 50.66 1qrg s ALA 25 Cb -0.09 -1.16 -0.10 0.00 0.00 0.00 0.00 23.12 21.77 1qrg s ALA 25 CO 0.02 0.69 1.17 -2.30 0.00 0.00 0.00 175.76 175.34 1qrg n PRO 26 N 0.69 1.69 -3.67 0.00 -0.02 -0.88 -4.61 135.00 128.20 1qrg n PRO 26 Ca -0.12 0.60 -0.39 0.00 -2.02 0.00 0.00 63.50 61.58 1qrg n PRO 26 Cb 0.52 -2.25 -0.11 0.00 -0.02 0.00 0.00 33.50 31.65 1qrg n PRO 26 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qrg s VAL 27 N -1.22 3.90 -0.14 -1.45 1.01 0.45 -4.96 120.40 117.99 1qrg s VAL 27 Ca 0.62 -1.53 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1qrg s VAL 27 Cb -0.53 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1qrg s VAL 27 CO 0.57 -0.50 -0.17 -0.63 0.00 0.00 0.00 175.10 174.38 1qrg s ILE 28 N 1.35 2.61 0.42 2.22 1.01 -1.26 -1.01 121.20 126.53 1qrg s ILE 28 Ca 0.03 -0.81 -0.26 0.00 0.00 0.00 0.00 60.65 59.61 1qrg s ILE 28 Cb -0.23 -2.07 -0.09 0.00 0.01 0.00 0.00 42.46 40.07 1qrg s ILE 28 CO 0.00 0.53 1.46 -0.67 0.00 0.00 0.00 174.94 176.26 1qrg n ASP 29 N 3.80 3.54 0.29 3.58 -0.08 -0.40 -4.87 116.55 122.40 1qrg n ASP 29 Ca -0.19 1.17 0.18 0.00 -1.51 0.00 0.00 54.79 54.44 1qrg n ASP 29 Cb 0.52 -1.61 0.92 0.00 2.34 0.00 0.00 41.12 43.29 1qrg n ASP 29 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1qrg h PRO 30 N 2.57 0.00 -0.01 -0.67 0.11 -1.93 -0.40 132.00 131.67 1qrg h PRO 30 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1qrg h PRO 30 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1qrg h PRO 30 CO 0.62 0.00 -0.22 0.25 -0.21 0.00 0.00 178.00 178.44 1qrg n THR 31 N -3.18 0.00 -2.64 -1.15 -2.24 -1.26 -4.88 114.28 98.93 1qrg n THR 31 Ca -0.01 -0.18 -0.31 0.00 -2.27 0.00 0.00 64.05 61.28 1qrg n THR 31 Cb 0.31 0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 69.05 1qrg n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qrg s ALA 32 N -2.38 3.20 -0.19 6.98 0.00 -0.16 -3.44 121.76 125.76 1qrg s ALA 32 Ca 0.27 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 1qrg s ALA 32 Cb 0.19 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.40 1qrg s ALA 32 CO 0.48 -0.10 -0.11 -0.47 0.00 0.00 0.00 175.76 175.56 1qrg s TYR 33 N -2.47 2.87 -0.31 0.00 5.04 -0.09 -4.92 117.35 117.47 1qrg s TYR 33 Ca 0.55 -1.15 -0.07 0.00 -2.44 0.00 0.00 57.07 53.97 1qrg s TYR 33 Cb -0.10 -2.00 0.02 0.00 0.35 0.00 0.00 41.96 40.23 1qrg s TYR 33 CO 0.30 -0.59 0.09 0.42 -1.34 0.00 0.00 175.55 174.43 1qrg s ILE 34 N 1.25 3.92 0.59 3.14 -1.09 -1.26 -0.98 121.20 126.77 1qrg s ILE 34 Ca 0.03 -0.84 -0.19 0.00 -2.23 0.00 0.00 60.65 57.42 1qrg s ILE 34 Cb -0.14 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 1qrg s ILE 34 CO -0.05 -0.01 1.16 -0.67 -1.23 0.00 0.00 174.94 174.14 1qrg n ASP 35 N 4.85 1.66 0.29 3.58 2.03 -0.32 -4.85 116.55 123.80 1qrg n ASP 35 Ca -0.14 0.87 0.16 0.00 0.52 0.00 0.00 54.79 56.20 1qrg n ASP 35 Cb 0.47 -1.48 0.86 0.00 -0.72 0.00 0.00 41.12 40.24 1qrg n ASP 35 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1qrg h PRO 36 N 0.78 0.00 -0.58 -0.67 0.13 -1.95 -0.42 132.00 129.30 1qrg h PRO 36 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1qrg h PRO 36 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1qrg h PRO 36 CO 0.53 0.06 0.00 1.04 -0.23 0.00 0.00 178.00 179.40 1qrg n GLN 37 N -3.50 4.25 -3.31 0.86 6.02 -1.26 -4.84 117.38 115.61 1qrg n GLN 37 Ca -0.02 -3.02 -0.22 0.00 -0.01 0.00 0.00 57.00 53.73 1qrg n GLN 37 Cb 0.18 -2.07 -0.00 0.00 1.02 0.00 0.00 30.24 29.37 1qrg n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qrg s ALA 38 N -2.37 3.86 -0.09 -1.58 0.00 -0.17 -0.63 121.76 120.77 1qrg s ALA 38 Ca 0.52 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1qrg s ALA 38 Cb 0.37 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 21.51 1qrg s ALA 38 CO 0.19 -0.14 -0.19 0.45 0.00 0.00 0.00 175.76 176.08 1qrg s SER 39 N -4.13 2.58 -0.15 0.00 0.15 0.01 -4.81 113.70 107.36 1qrg s SER 39 Ca 0.44 -0.46 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 1qrg s SER 39 Cb -0.10 -1.18 0.04 0.00 -1.71 0.00 0.00 66.02 63.08 1qrg s SER 39 CO 0.35 0.09 -0.01 -0.69 1.20 0.00 0.00 173.24 174.18 1qrg s VAL 40 N 0.60 0.72 -0.04 4.45 1.01 0.45 -0.47 120.40 127.11 1qrg s VAL 40 Ca -0.14 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1qrg s VAL 40 Cb -0.17 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1qrg s VAL 40 CO 0.04 0.07 -0.18 -0.63 0.00 0.00 0.00 175.10 174.40 1qrg s ILE 41 N 1.80 1.51 0.00 2.22 1.01 -0.16 -1.21 121.20 126.37 1qrg s ILE 41 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1qrg s ILE 41 Cb -0.15 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.03 1qrg s ILE 41 CO -0.07 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1qrg n GLY 42 N 3.04 -0.13 3.50 6.18 0.00 0.25 -0.32 105.19 117.71 1qrg n GLY 42 Ca -0.18 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 1qrg n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qrg n GLU 43 N 4.15 3.21 -4.93 1.61 2.13 -1.09 -2.08 120.64 123.63 1qrg n GLU 43 Ca 0.00 -3.33 -0.27 0.00 0.66 0.00 0.00 57.16 54.22 1qrg n GLU 43 Cb 0.00 -3.41 -0.15 0.00 0.27 0.00 0.00 31.44 28.15 1qrg n GLU 43 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1qrg s VAL 44 N 3.71 1.66 -0.15 6.31 1.01 -1.26 -1.33 120.40 130.35 1qrg s VAL 44 Ca 0.52 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1qrg s VAL 44 Cb 0.04 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1qrg s VAL 44 CO 0.06 0.40 -0.19 -0.89 0.00 0.00 0.00 175.10 174.48 1qrg s THR 45 N -0.57 2.34 -0.13 3.92 2.01 -0.46 -0.41 115.64 122.35 1qrg s THR 45 Ca 0.08 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1qrg s THR 45 Cb -0.08 -1.96 -0.00 0.00 0.01 0.00 0.00 72.50 70.46 1qrg s THR 45 CO -0.00 0.53 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.65 1qrg s ILE 46 N 0.81 2.54 0.68 1.82 -1.09 -0.18 -0.32 121.20 125.46 1qrg s ILE 46 Ca -0.06 -0.83 -0.07 0.00 -2.23 0.00 0.00 60.65 57.46 1qrg s ILE 46 Cb -0.15 -2.04 0.15 0.00 -1.58 0.00 0.00 42.46 38.84 1qrg s ILE 46 CO -0.01 0.53 0.93 0.61 -1.23 0.00 0.00 174.94 175.78 1qrg n GLY 47 N 3.73 -0.36 3.77 6.18 0.00 0.20 -1.28 105.19 117.42 1qrg n GLY 47 Ca -0.19 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 1qrg n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qrg s ALA 48 N -3.53 2.64 -1.95 4.61 0.00 -1.26 -3.40 121.76 118.86 1qrg s ALA 48 Ca 0.57 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1qrg s ALA 48 Cb -0.02 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1qrg s ALA 48 CO 0.39 -0.92 0.00 0.09 0.00 0.00 0.00 175.76 175.32 1qrg n ASN 49 N -1.45 -5.65 -4.82 0.00 3.02 -1.22 -0.24 115.26 104.90 1qrg n ASN 49 Ca 0.12 0.23 -0.36 0.00 -0.03 0.00 0.00 54.58 54.54 1qrg n ASN 49 Cb 0.51 -4.83 -0.06 0.00 -0.61 0.00 0.00 39.78 34.79 1qrg n ASN 49 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qrg s VAL 50 N -2.90 4.66 -0.23 2.41 1.01 -1.22 -4.25 120.40 119.88 1qrg s VAL 50 Ca 0.00 1.14 -0.05 0.00 0.00 0.00 0.00 61.98 63.07 1qrg s VAL 50 Cb 0.00 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1qrg s VAL 50 CO 0.00 0.22 0.01 -0.32 0.00 0.00 0.00 175.10 175.00 1qrg s MET 51 N -1.98 3.49 -0.30 2.72 1.75 -1.14 -0.91 119.30 122.93 1qrg s MET 51 Ca 0.41 -0.57 -0.07 0.00 -1.25 0.00 0.00 55.69 54.21 1qrg s MET 51 Cb -0.16 -3.15 0.01 0.00 2.84 0.00 0.00 34.83 34.36 1qrg s MET 51 CO 0.20 -0.20 0.09 0.08 -0.65 0.00 0.00 175.02 174.55 1qrg s VAL 52 N 1.54 4.09 0.74 10.11 1.01 -0.15 -1.19 120.40 136.54 1qrg s VAL 52 Ca 0.06 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 1qrg s VAL 52 Cb -0.15 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 33.21 1qrg s VAL 52 CO -0.00 0.08 1.06 -0.44 0.00 0.00 0.00 175.10 175.80 1qrg s SER 53 N 1.52 4.65 0.42 3.32 0.01 0.00 -1.17 113.70 122.45 1qrg s SER 53 Ca 0.03 0.48 -0.25 0.00 1.31 0.00 0.00 55.95 57.52 1qrg s SER 53 Cb -0.17 -1.06 -0.11 0.00 0.21 0.00 0.00 66.02 64.89 1qrg s SER 53 CO 0.03 -1.72 1.04 -2.65 0.41 0.00 0.00 173.24 170.35 1qrg n PRO 54 N -3.04 1.42 -0.88 12.44 -0.02 -1.26 -2.49 135.00 141.17 1qrg n PRO 54 Ca 0.09 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1qrg n PRO 54 Cb 0.61 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1qrg n PRO 54 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1qrg n MET 55 N 0.15 -0.50 -2.27 -0.52 2.81 0.19 -2.54 117.12 114.44 1qrg n MET 55 Ca 0.09 0.13 -0.34 0.00 -1.81 0.00 0.00 57.70 55.77 1qrg n MET 55 Cb 0.39 -3.75 -0.01 0.00 -0.71 0.00 0.00 33.22 29.14 1qrg n MET 55 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qrg s ALA 56 N -2.00 2.75 -0.16 3.04 0.00 -1.04 -3.26 121.76 121.10 1qrg s ALA 56 Ca 0.00 0.62 -0.02 0.00 0.00 0.00 0.00 51.96 52.57 1qrg s ALA 56 Cb 0.00 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 19.88 1qrg s ALA 56 CO 0.00 -0.65 0.00 0.45 0.00 0.00 0.00 175.76 175.56 1qrg s SER 57 N -2.14 2.60 -0.33 0.00 0.15 0.31 -0.81 113.70 113.48 1qrg s SER 57 Ca 0.68 -0.61 -0.06 0.00 0.70 0.00 0.00 55.95 56.66 1qrg s SER 57 Cb -0.19 -0.66 0.04 0.00 -1.71 0.00 0.00 66.02 63.50 1qrg s SER 57 CO 0.28 -0.25 0.09 -0.63 1.20 0.00 0.00 173.24 173.93 1qrg s ILE 58 N 1.81 3.69 -0.27 6.45 1.01 0.38 -1.19 121.20 133.08 1qrg s ILE 58 Ca 0.01 -1.15 -0.01 0.00 0.00 0.00 0.00 60.65 59.50 1qrg s ILE 58 Cb -0.15 -3.09 0.08 0.00 0.01 0.00 0.00 42.46 39.31 1qrg s ILE 58 CO -0.07 -0.16 0.06 -0.60 0.00 0.00 0.00 174.94 174.16 1qrg s ARG 59 N 1.39 0.87 -0.95 2.79 3.52 -0.34 -0.98 118.95 125.23 1qrg s ARG 59 Ca -0.02 -0.94 -0.03 0.00 -0.13 0.00 0.00 55.73 54.61 1qrg s ARG 59 Cb -0.19 -2.16 0.24 0.00 -1.56 0.00 0.00 34.95 31.28 1qrg s ARG 59 CO 0.02 -0.84 0.93 0.45 -0.81 0.00 0.00 175.30 175.05 1qrg n SER 60 N 4.84 4.70 0.00 -2.12 2.88 0.56 -4.34 113.62 120.14 1qrg n SER 60 Ca -0.05 -3.16 0.00 0.00 -1.33 0.00 0.00 58.87 54.33 1qrg n SER 60 Cb 0.44 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1qrg n SER 60 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1qrg n ASP 61 N 2.19 0.03 0.00 -3.46 3.85 -1.26 -2.68 116.55 115.21 1qrg n ASP 61 Ca 0.23 -0.30 0.00 0.00 -0.71 0.00 0.00 54.79 54.01 1qrg n ASP 61 Cb 0.37 0.51 0.00 0.00 -1.35 0.00 0.00 41.12 40.65 1qrg n ASP 61 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1qrg n GLU 62 N -0.51 0.00 -2.47 0.11 2.13 -1.26 -4.93 120.64 113.71 1qrg n GLU 62 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1qrg n GLU 62 Cb 0.01 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.68 1qrg n GLU 62 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1qrg s GLY 63 N -0.75 2.73 0.06 8.31 0.00 -0.86 -4.29 107.32 112.52 1qrg s GLY 63 Ca 0.00 0.85 -0.14 0.00 0.00 0.00 0.00 44.72 45.43 1qrg s GLY 63 CO 0.00 1.77 0.32 1.06 0.00 0.00 0.00 173.10 176.25 1qrg s MET 64 N -0.06 0.86 0.56 2.90 -1.94 -1.26 -4.52 119.30 115.83 1qrg s MET 64 Ca 0.52 -0.56 -0.04 0.00 -1.71 0.00 0.00 55.69 53.90 1qrg s MET 64 Cb -0.30 0.37 0.01 0.00 2.01 0.00 0.00 34.83 36.92 1qrg s MET 64 CO 0.34 -0.29 0.84 -1.25 -0.01 0.00 0.00 175.02 174.66 1qrg s PRO 65 N -2.82 2.93 -0.19 2.03 0.04 -1.26 -4.00 135.00 131.73 1qrg s PRO 65 Ca -0.03 -0.16 -0.02 0.00 0.04 0.00 0.00 61.00 60.83 1qrg s PRO 65 Cb 0.00 -2.35 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 1qrg s PRO 65 CO -0.05 -0.60 -0.10 0.42 0.04 0.00 0.00 177.00 176.71 1qrg s ILE 66 N -2.88 3.02 -0.05 0.56 1.01 -0.45 -0.51 121.20 121.91 1qrg s ILE 66 Ca 0.53 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.58 1qrg s ILE 66 Cb -0.10 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1qrg s ILE 66 CO 0.43 0.47 -0.12 0.12 0.00 0.00 0.00 174.94 175.85 1qrg s PHE 67 N 1.14 2.78 -0.14 3.97 5.36 0.07 -1.35 117.98 129.81 1qrg s PHE 67 Ca 0.01 -0.10 -0.00 0.00 -0.96 0.00 0.00 56.93 55.88 1qrg s PHE 67 Cb -0.14 -1.64 0.03 0.00 -0.34 0.00 0.00 43.02 40.93 1qrg s PHE 67 CO -0.03 0.25 -0.07 0.08 -1.46 0.00 0.00 175.22 173.99 1qrg s VAL 68 N -0.79 1.12 0.97 3.12 1.01 0.57 -0.33 120.40 126.07 1qrg s VAL 68 Ca 0.12 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 1qrg s VAL 68 Cb -0.11 -1.21 0.22 0.00 0.00 0.00 0.00 36.38 35.29 1qrg s VAL 68 CO 0.02 0.26 1.31 0.61 0.00 0.00 0.00 175.10 177.29 1qrg n GLY 69 N 4.89 -1.51 3.77 4.51 0.00 0.01 -0.63 105.19 116.23 1qrg n GLY 69 Ca -0.13 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 1qrg n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qrg s ASP 70 N -5.78 6.11 -1.60 1.61 1.01 -1.26 -3.10 116.67 113.65 1qrg s ASP 70 Ca 0.74 2.82 -0.02 0.00 0.71 0.00 0.00 52.55 56.80 1qrg s ASP 70 Cb -0.02 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.27 1qrg s ASP 70 CO 0.52 -1.01 0.24 0.54 0.21 0.00 0.00 175.17 175.68 1qrg n ARG 71 N 0.01 -2.99 -3.72 8.23 1.74 0.66 -1.20 116.66 119.39 1qrg n ARG 71 Ca 0.04 0.90 -0.21 0.00 -0.77 0.00 0.00 57.85 57.82 1qrg n ARG 71 Cb 0.42 -5.64 -0.03 0.00 -1.02 0.00 0.00 32.46 26.19 1qrg n ARG 71 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1qrg s SER 72 N -2.32 5.42 0.02 0.55 0.01 -1.18 -3.75 113.70 112.45 1qrg s SER 72 Ca 0.13 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 56.96 1qrg s SER 72 Cb -0.06 -1.00 -0.01 0.00 0.21 0.00 0.00 66.02 65.16 1qrg s SER 72 CO 0.16 -0.39 -0.06 0.54 0.41 0.00 0.00 173.24 173.90 1qrg s ASN 73 N -4.04 0.67 -0.34 2.44 2.20 -0.02 -2.90 114.94 112.95 1qrg s ASN 73 Ca 0.42 -0.30 0.04 0.00 -0.94 0.00 0.00 52.86 52.08 1qrg s ASN 73 Cb -0.06 -0.01 0.10 0.00 -2.00 0.00 0.00 41.25 39.27 1qrg s ASN 73 CO 0.28 -0.07 0.06 -0.69 -2.94 0.00 0.00 177.10 173.73 1qrg s VAL 74 N -0.71 2.14 0.95 3.54 1.01 -0.33 -1.36 120.40 125.64 1qrg s VAL 74 Ca -0.04 -2.26 -0.16 0.00 0.00 0.00 0.00 61.98 59.52 1qrg s VAL 74 Cb -0.06 -2.59 0.22 0.00 0.00 0.00 0.00 36.38 33.95 1qrg s VAL 74 CO 0.00 -0.61 1.29 0.00 0.00 0.00 0.00 175.10 175.78 1qrg n GLN 75 N 4.30 -1.26 -1.81 2.72 6.02 -0.35 -0.82 117.38 126.17 1qrg n GLN 75 Ca 0.03 -1.99 -0.42 0.00 -0.01 0.00 0.00 57.00 54.62 1qrg n GLN 75 Cb 0.42 -1.33 -0.03 0.00 1.02 0.00 0.00 30.24 30.33 1qrg n GLN 75 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1qrg s ASP 76 N -5.70 6.45 0.00 1.08 1.11 -1.26 -1.86 116.67 116.50 1qrg s ASP 76 Ca 0.73 2.81 0.00 0.00 0.18 0.00 0.00 52.55 56.27 1qrg s ASP 76 Cb -0.02 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.36 1qrg s ASP 76 CO 0.51 -0.90 0.00 0.61 1.18 0.00 0.00 175.17 176.57 1qrg n GLY 77 N 3.33 0.33 3.74 0.21 0.00 -1.05 -0.59 105.19 111.16 1qrg n GLY 77 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1qrg n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qrg s VAL 78 N -1.73 3.44 -0.11 1.61 1.01 -0.77 -4.26 120.40 119.59 1qrg s VAL 78 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1qrg s VAL 78 Cb 0.00 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1qrg s VAL 78 CO 0.00 0.23 -0.11 -0.69 0.00 0.00 0.00 175.10 174.53 1qrg s VAL 79 N -0.36 3.25 -0.10 2.92 1.01 -1.05 -0.53 120.40 125.54 1qrg s VAL 79 Ca 0.51 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1qrg s VAL 79 Cb -0.33 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1qrg s VAL 79 CO 0.39 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 175.05 1qrg s LEU 80 N -0.03 2.05 0.26 3.92 1.43 -0.33 -2.15 118.68 123.82 1qrg s LEU 80 Ca -0.02 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 52.33 1qrg s LEU 80 Cb -0.14 -1.35 0.03 0.00 0.03 0.00 0.00 46.19 44.75 1qrg s LEU 80 CO 0.04 0.14 0.73 -2.28 0.23 0.00 0.00 176.35 175.20 1qrg s HIS 81 N 0.41 -0.22 0.05 0.29 2.46 -1.22 -1.20 115.29 115.86 1qrg s HIS 81 Ca -0.18 -0.21 -0.19 0.00 0.47 0.00 0.00 55.06 54.95 1qrg s HIS 81 Cb -0.18 0.69 0.04 0.00 -0.13 0.00 0.00 32.58 33.01 1qrg s HIS 81 CO 0.08 -1.17 0.44 0.00 -2.47 0.00 0.00 174.74 171.62 1qrg s ALA 82 N -3.86 -1.10 0.59 1.58 0.00 -1.26 -0.25 121.76 117.47 1qrg s ALA 82 Ca 0.10 0.38 -0.19 0.00 0.00 0.00 0.00 51.96 52.26 1qrg s ALA 82 Cb -0.05 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1qrg s ALA 82 CO 0.05 -0.48 1.21 -0.51 0.00 0.00 0.00 175.76 176.03 1qrg s LEU 83 N -2.02 3.67 0.16 0.00 1.43 -0.95 -2.04 118.68 118.93 1qrg s LEU 83 Ca -0.05 2.40 -0.34 0.00 -1.03 0.00 0.00 54.13 55.11 1qrg s LEU 83 Cb -0.01 -4.59 -0.15 0.00 0.03 0.00 0.00 46.19 41.47 1qrg s LEU 83 CO -0.02 -1.60 1.41 -1.84 0.23 0.00 0.00 176.35 174.53 1qrg n GLU 84 N -1.58 1.69 0.00 1.70 0.28 -1.26 -2.94 120.64 118.53 1qrg n GLU 84 Ca 0.14 0.61 0.09 0.00 -0.16 0.00 0.00 57.16 57.83 1qrg n GLU 84 Cb 0.49 -2.28 -0.10 0.00 1.43 0.00 0.00 31.44 30.99 1qrg n GLU 84 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1qrg n THR 85 N 2.58 0.00 -3.81 3.84 -2.24 -1.26 -4.74 114.28 108.64 1qrg n THR 85 Ca 0.16 -0.07 -0.21 0.00 -2.27 0.00 0.00 64.05 61.66 1qrg n THR 85 Cb 0.26 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.33 1qrg n THR 85 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1qrg s ILE 86 N -2.74 0.24 0.24 2.28 -1.09 -1.26 -1.82 121.20 117.05 1qrg s ILE 86 Ca 0.08 0.16 -0.03 0.00 -2.23 0.00 0.00 60.65 58.63 1qrg s ILE 86 Cb 0.14 -0.40 -0.05 0.00 -1.58 0.00 0.00 42.46 40.58 1qrg s ILE 86 CO 0.75 0.22 0.46 0.54 -1.23 0.00 0.00 174.94 175.68 1qrg s ASN 87 N 1.74 6.42 0.00 3.58 6.03 0.36 -4.81 114.94 128.25 1qrg s ASN 87 Ca 0.01 0.55 0.00 0.00 -1.03 0.00 0.00 52.86 52.39 1qrg s ASN 87 Cb -0.13 -2.07 0.00 0.00 -3.03 0.00 0.00 41.25 36.02 1qrg s ASN 87 CO -0.04 -0.10 0.00 -0.62 -2.03 0.00 0.00 177.10 174.31 1qrg n GLU 88 N -0.73 0.00 -0.06 3.55 -0.58 -1.26 0.13 120.64 121.68 1qrg n GLU 88 Ca -0.03 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.72 1qrg n GLU 88 Cb 0.54 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.45 1qrg n GLU 88 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1qrg n GLU 89 N -0.73 1.27 -1.12 3.49 1.02 -1.26 -4.84 120.64 118.48 1qrg n GLU 89 Ca 0.00 -0.35 -0.04 0.00 -0.02 0.00 0.00 57.16 56.75 1qrg n GLU 89 Cb 0.00 -1.18 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 1qrg n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qrg n GLY 90 N 0.53 0.69 3.74 0.62 0.00 0.34 -5.02 105.19 106.09 1qrg n GLY 90 Ca 0.03 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 1qrg n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qrg s GLU 91 N -2.16 4.32 0.03 1.61 2.02 -0.93 -4.77 118.70 118.81 1qrg s GLU 91 Ca 0.00 0.53 -0.30 0.00 0.02 0.00 0.00 54.97 55.22 1qrg s GLU 91 Cb 0.00 -3.41 -0.07 0.00 0.10 0.00 0.00 34.13 30.75 1qrg s GLU 91 CO 0.00 0.22 1.58 -1.25 0.02 0.00 0.00 175.26 175.83 1qrg s PRO 92 N 0.41 4.22 -0.81 0.39 0.05 -1.26 0.13 135.00 138.13 1qrg s PRO 92 Ca 0.28 2.20 -0.19 0.00 0.05 0.00 0.00 61.00 63.34 1qrg s PRO 92 Cb -0.16 -3.66 0.12 0.00 0.05 0.00 0.00 34.50 30.85 1qrg s PRO 92 CO 0.12 -0.71 1.01 0.42 0.05 0.00 0.00 177.00 177.89 1qrg s ILE 93 N 2.80 4.70 0.56 0.56 1.01 -0.75 -4.91 121.20 125.17 1qrg s ILE 93 Ca 0.71 -1.26 0.25 0.00 0.00 0.00 0.00 60.65 60.36 1qrg s ILE 93 Cb -0.36 -4.70 0.36 0.00 0.01 0.00 0.00 42.46 37.77 1qrg s ILE 93 CO 0.30 -1.41 2.07 -0.33 0.00 0.00 0.00 174.94 175.57 1qrg h GLU 94 N 9.00 0.00 0.00 2.79 4.39 -1.93 -0.76 114.58 128.07 1qrg h GLU 94 Ca -0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1qrg h GLU 94 Cb 1.05 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1qrg h GLU 94 CO 1.10 0.00 -0.13 -0.44 -1.16 0.00 0.00 179.01 178.38 1qrg h ASP 95 N 0.00 0.00 -0.65 1.42 3.32 -1.97 -2.67 116.42 115.86 1qrg h ASP 95 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1qrg h ASP 95 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1qrg h ASP 95 CO -0.00 0.13 0.00 0.59 -1.72 0.00 0.00 179.24 178.24 1qrg n ASN 96 N -3.61 4.51 -4.20 6.45 3.02 -0.29 -4.85 115.26 116.29 1qrg n ASN 96 Ca -0.02 -2.35 -0.31 0.00 -0.03 0.00 0.00 54.58 51.88 1qrg n ASN 96 Cb 0.26 -0.56 -0.17 0.00 -0.61 0.00 0.00 39.78 38.71 1qrg n ASN 96 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1qrg s ILE 97 N -1.69 1.91 0.11 2.41 1.01 -1.01 -4.31 121.20 119.63 1qrg s ILE 97 Ca 0.50 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1qrg s ILE 97 Cb 0.31 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1qrg s ILE 97 CO 0.26 0.53 0.15 0.68 0.00 0.00 0.00 174.94 176.56 1qrg s VAL 98 N 0.29 4.81 -0.17 2.92 -7.23 -0.08 -4.94 120.40 116.00 1qrg s VAL 98 Ca -0.15 -0.77 0.01 0.00 -1.81 0.00 0.00 61.98 59.26 1qrg s VAL 98 Cb -0.17 -3.39 0.01 0.00 0.56 0.00 0.00 36.38 33.40 1qrg s VAL 98 CO 0.07 0.03 -0.18 -0.70 -0.31 0.00 0.00 175.10 174.01 1qrg s GLU 99 N -2.74 3.09 -0.05 4.82 2.56 -1.26 -0.70 118.70 124.41 1qrg s GLU 99 Ca 0.32 -0.80 0.00 0.00 0.00 0.00 0.00 54.97 54.49 1qrg s GLU 99 Cb -0.12 -2.59 0.02 0.00 2.00 0.00 0.00 34.13 33.45 1qrg s GLU 99 CO 0.25 -0.10 -0.02 0.08 -0.56 0.00 0.00 175.26 174.90 1qrg s VAL 100 N 1.07 0.41 -1.34 3.70 1.01 -0.04 -4.85 120.40 120.35 1qrg s VAL 100 Ca -0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 1qrg s VAL 100 Cb -0.14 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.76 1qrg s VAL 100 CO -0.06 0.22 0.44 0.47 0.00 0.00 0.00 175.10 176.17 1qrg n ASP 101 N 4.38 -2.00 -0.77 3.32 8.00 -1.26 -1.12 116.55 127.11 1qrg n ASP 101 Ca -0.20 -1.20 -0.10 0.00 0.71 0.00 0.00 54.79 54.00 1qrg n ASP 101 Cb 0.50 -2.17 -0.04 0.00 -0.02 0.00 0.00 41.12 39.39 1qrg n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qrg n GLY 102 N -2.17 1.01 3.27 0.44 0.00 -1.26 -5.00 105.19 101.49 1qrg n GLY 102 Ca -0.21 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1qrg n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qrg s LYS 103 N -2.73 1.10 -0.14 1.61 1.02 -0.27 -5.13 119.74 115.19 1qrg s LYS 103 Ca 0.00 -1.20 -0.06 0.00 0.02 0.00 0.00 55.97 54.73 1qrg s LYS 103 Cb 0.00 -1.23 -0.04 0.00 -0.52 0.00 0.00 37.83 36.04 1qrg s LYS 103 CO 0.00 0.27 0.08 -1.21 -0.92 0.00 0.00 175.35 173.57 1qrg s GLU 104 N -2.19 3.61 0.08 1.68 2.02 -1.26 -0.86 118.70 121.78 1qrg s GLU 104 Ca 0.08 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.81 1qrg s GLU 104 Cb -0.08 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 1qrg s GLU 104 CO 0.04 0.54 -0.06 0.71 0.02 0.00 0.00 175.26 176.52 1qrg s TYR 105 N -0.37 0.76 -0.16 1.61 1.51 0.12 -4.64 117.35 116.18 1qrg s TYR 105 Ca 0.10 -0.93 -0.22 0.00 -1.01 0.00 0.00 57.07 55.01 1qrg s TYR 105 Cb -0.12 -0.47 -0.19 0.00 -0.11 0.00 0.00 41.96 41.07 1qrg s TYR 105 CO 0.02 -0.21 0.42 0.00 -1.11 0.00 0.00 175.55 174.66 1qrg h ALA 106 N 3.13 0.09 -3.34 3.71 0.00 -0.93 -0.19 119.26 121.72 1qrg h ALA 106 Ca -0.35 -0.68 -0.55 0.00 0.00 0.00 0.00 54.91 53.33 1qrg h ALA 106 Cb 1.16 0.29 -0.34 0.00 0.00 0.00 0.00 17.79 18.90 1qrg h ALA 106 CO 0.63 0.28 -0.82 0.08 0.00 0.00 0.00 179.25 179.42 1qrg s VAL 107 N -2.19 1.29 -0.23 0.00 1.01 -1.01 -2.26 120.40 117.02 1qrg s VAL 107 Ca -0.20 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1qrg s VAL 107 Cb 0.01 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1qrg s VAL 107 CO 0.54 0.40 -0.10 -0.47 0.00 0.00 0.00 175.10 175.47 1qrg s TYR 108 N 0.84 3.00 -0.24 5.22 5.04 -0.28 -0.75 117.35 130.18 1qrg s TYR 108 Ca -0.11 -1.57 -0.07 0.00 -2.44 0.00 0.00 57.07 52.88 1qrg s TYR 108 Cb -0.15 -2.02 -0.03 0.00 0.35 0.00 0.00 41.96 40.11 1qrg s TYR 108 CO 0.01 -0.74 0.04 0.42 -1.34 0.00 0.00 175.55 173.95 1qrg s ILE 109 N 1.31 4.14 0.00 3.14 -1.09 0.55 -0.86 121.20 128.40 1qrg s ILE 109 Ca 0.01 -0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 1qrg s ILE 109 Cb -0.16 -2.92 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 1qrg s ILE 109 CO -0.07 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1qrg n GLY 110 N 4.77 -2.10 3.86 6.18 0.00 0.24 -0.81 105.19 117.33 1qrg n GLY 110 Ca -0.17 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 1qrg n GLY 110 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qrg s ASN 111 N -1.42 6.68 -1.46 1.61 0.01 -1.26 -2.73 114.94 116.37 1qrg s ASN 111 Ca 0.00 1.27 -0.08 0.00 -0.71 0.00 0.00 52.86 53.34 1qrg s ASN 111 Cb 0.00 -2.37 0.04 0.00 0.41 0.00 0.00 41.25 39.32 1qrg s ASN 111 CO 0.00 -0.31 0.78 0.59 -1.51 0.00 0.00 177.10 176.66 1qrg n ASN 112 N -0.79 -5.45 -4.72 -1.22 5.03 -0.34 -2.04 115.26 105.73 1qrg n ASN 112 Ca 0.04 -0.46 -0.35 0.00 0.87 0.00 0.00 54.58 54.67 1qrg n ASN 112 Cb 0.54 -4.38 -0.09 0.00 -1.02 0.00 0.00 39.78 34.83 1qrg n ASN 112 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1qrg s VAL 113 N -3.18 4.51 -0.21 2.41 1.01 -1.26 -2.65 120.40 121.03 1qrg s VAL 113 Ca 0.46 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 1qrg s VAL 113 Cb -0.22 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 1qrg s VAL 113 CO 0.57 0.57 -0.01 -0.44 0.00 0.00 0.00 175.10 175.79 1qrg s SER 114 N -1.01 4.72 -0.54 3.32 0.01 -0.89 -0.84 113.70 118.47 1qrg s SER 114 Ca 0.15 -0.24 -0.11 0.00 1.31 0.00 0.00 55.95 57.06 1qrg s SER 114 Cb -0.11 -1.81 0.14 0.00 0.21 0.00 0.00 66.02 64.44 1qrg s SER 114 CO 0.04 0.04 0.44 -0.76 0.41 0.00 0.00 173.24 173.41 1qrg s LEU 115 N 1.12 5.90 0.98 2.44 1.43 -0.46 -0.17 118.68 129.92 1qrg s LEU 115 Ca 0.02 -2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 50.95 1qrg s LEU 115 Cb -0.14 -2.07 0.18 0.00 0.03 0.00 0.00 46.19 44.18 1qrg s LEU 115 CO 0.01 -0.69 1.12 0.00 0.23 0.00 0.00 176.35 177.02 1qrg s ALA 116 N 1.17 1.35 -0.07 4.21 0.00 0.48 -1.22 121.76 127.68 1qrg s ALA 116 Ca 0.07 -0.53 -0.39 0.00 0.00 0.00 0.00 51.96 51.11 1qrg s ALA 116 Cb -0.25 -3.04 -0.18 0.00 0.00 0.00 0.00 23.12 19.65 1qrg s ALA 116 CO -0.01 -2.64 1.38 0.72 0.00 0.00 0.00 175.76 175.21 1qrg n HIS 117 N -4.02 1.42 -0.97 0.00 -0.00 -1.26 -1.67 115.22 108.73 1qrg n HIS 117 Ca 0.07 0.78 0.00 0.00 -0.00 0.00 0.00 57.72 58.57 1qrg n HIS 117 Cb 0.59 -2.28 0.00 0.00 -0.00 0.00 0.00 29.99 28.29 1qrg n HIS 117 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1qrg n GLN 118 N 2.98 -0.93 -1.62 -0.41 6.02 0.24 -1.83 117.38 121.84 1qrg n GLN 118 Ca 0.22 0.23 -0.30 0.00 -0.01 0.00 0.00 57.00 57.14 1qrg n GLN 118 Cb 0.12 -4.00 0.19 0.00 1.02 0.00 0.00 30.24 27.57 1qrg n GLN 118 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1qrg s SER 119 N -2.06 2.66 -0.18 1.08 1.04 -0.67 -3.99 113.70 111.59 1qrg s SER 119 Ca 0.00 0.54 -0.15 0.00 0.48 0.00 0.00 55.95 56.81 1qrg s SER 119 Cb 0.00 -0.76 0.05 0.00 0.10 0.00 0.00 66.02 65.40 1qrg s SER 119 CO 0.00 -3.04 0.47 -1.58 0.98 0.00 0.00 173.24 170.07 1qrg s GLN 120 N -5.62 0.53 -0.18 4.02 0.74 -0.73 -2.54 119.66 115.89 1qrg s GLN 120 Ca 0.70 0.68 0.00 0.00 0.05 0.00 0.00 55.36 56.80 1qrg s GLN 120 Cb -0.08 0.23 0.04 0.00 1.10 0.00 0.00 33.01 34.30 1qrg s GLN 120 CO 0.54 -0.08 -0.10 0.08 -0.55 0.00 0.00 175.29 175.18 1qrg s VAL 121 N 0.41 1.48 -0.15 1.34 1.01 -0.92 -1.51 120.40 122.06 1qrg s VAL 121 Ca -0.01 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 1qrg s VAL 121 Cb -0.04 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1qrg s VAL 121 CO -0.01 0.24 -0.12 -2.28 0.00 0.00 0.00 175.10 172.92 1qrg s HIS 122 N 1.49 2.83 0.70 5.22 2.46 0.48 -3.43 115.29 125.04 1qrg s HIS 122 Ca 0.01 -0.76 -0.13 0.00 0.47 0.00 0.00 55.06 54.64 1qrg s HIS 122 Cb -0.15 -1.89 0.02 0.00 -0.13 0.00 0.00 32.58 30.43 1qrg s HIS 122 CO -0.09 -0.31 1.10 0.20 -2.47 0.00 0.00 174.74 173.17 1qrg s GLY 123 N 0.60 1.97 0.09 1.59 0.00 0.66 -3.43 107.32 108.80 1qrg s GLY 123 Ca -0.07 0.43 -0.31 0.00 0.00 0.00 0.00 44.72 44.77 1qrg s GLY 123 CO 0.03 0.78 1.35 2.56 0.00 0.00 0.00 173.10 177.82 1qrg s PRO 124 N -4.41 4.34 -0.06 2.90 0.04 -1.26 -2.24 135.00 134.31 1qrg s PRO 124 Ca 0.65 1.99 -0.30 0.00 0.04 0.00 0.00 61.00 63.37 1qrg s PRO 124 Cb -0.19 -3.31 0.08 0.00 0.04 0.00 0.00 34.50 31.12 1qrg s PRO 124 CO 0.47 -0.41 0.74 0.00 0.04 0.00 0.00 177.00 177.84 1qrg s ALA 125 N 1.25 -1.80 0.00 8.56 0.00 -0.96 -0.81 121.76 128.01 1qrg s ALA 125 Ca 0.63 1.34 0.01 0.00 0.00 0.00 0.00 51.96 53.93 1qrg s ALA 125 Cb -0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 1qrg s ALA 125 CO 0.30 -0.38 -0.03 0.00 0.00 0.00 0.00 175.76 175.65 1qrg s ALA 126 N -1.30 0.21 -0.20 0.00 0.00 -0.71 -1.13 121.76 118.63 1qrg s ALA 126 Ca -0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 1qrg s ALA 126 Cb -0.00 -0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.13 1qrg s ALA 126 CO 0.07 0.04 -0.05 0.08 0.00 0.00 0.00 175.76 175.91 1qrg s VAL 127 N -0.14 1.23 0.87 0.00 1.01 -0.04 -0.03 120.40 123.31 1qrg s VAL 127 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 1qrg s VAL 127 Cb -0.01 -1.48 0.12 0.00 0.00 0.00 0.00 36.38 35.01 1qrg s VAL 127 CO -0.00 0.00 1.13 -0.83 0.00 0.00 0.00 175.10 175.40 1qrg s GLY 128 N 1.56 1.68 0.75 4.51 0.00 0.84 -0.60 107.32 116.06 1qrg s GLY 128 Ca -0.02 0.46 -0.15 0.00 0.00 0.00 0.00 44.72 45.01 1qrg s GLY 128 CO -0.07 0.86 0.80 1.22 0.00 0.00 0.00 173.10 175.91 1qrg n ASP 129 N -4.01 -0.23 -4.03 1.64 10.43 -1.26 -3.42 116.55 115.67 1qrg n ASP 129 Ca 0.11 0.61 -0.32 0.00 2.57 0.00 0.00 54.79 57.76 1qrg n ASP 129 Cb 0.52 -1.34 0.00 0.00 1.84 0.00 0.00 41.12 42.15 1qrg n ASP 129 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1qrg n ASP 130 N -1.35 -3.71 -4.53 -2.24 8.00 -0.86 -1.33 116.55 110.52 1qrg n ASP 130 Ca 0.12 -0.89 -0.31 0.00 0.71 0.00 0.00 54.79 54.42 1qrg n ASP 130 Cb 0.50 -3.40 -0.11 0.00 -0.02 0.00 0.00 41.12 38.09 1qrg n ASP 130 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1qrg s THR 131 N -3.36 3.18 -0.23 -3.53 2.01 -1.22 -3.51 115.64 108.97 1qrg s THR 131 Ca 0.61 -1.17 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1qrg s THR 131 Cb -0.32 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1qrg s THR 131 CO 0.87 0.24 0.10 0.12 -0.69 0.00 0.00 174.62 175.27 1qrg s PHE 132 N -1.07 3.19 -0.43 4.92 5.36 -0.70 -2.09 117.98 127.17 1qrg s PHE 132 Ca 0.18 -0.07 -0.11 0.00 -0.96 0.00 0.00 56.93 55.97 1qrg s PHE 132 Cb -0.11 -2.21 0.07 0.00 -0.34 0.00 0.00 43.02 40.43 1qrg s PHE 132 CO 0.09 -0.09 0.30 0.42 -1.46 0.00 0.00 175.22 174.48 1qrg s ILE 133 N 1.14 4.55 1.11 3.12 -1.09 0.76 -0.37 121.20 130.43 1qrg s ILE 133 Ca 0.05 -1.26 -0.13 0.00 -2.23 0.00 0.00 60.65 57.09 1qrg s ILE 133 Cb -0.14 -3.75 0.25 0.00 -1.58 0.00 0.00 42.46 37.24 1qrg s ILE 133 CO 0.04 -0.51 1.05 -0.83 -1.23 0.00 0.00 174.94 173.47 1qrg s GLY 134 N 2.21 1.54 0.22 6.18 0.00 0.15 -0.39 107.32 117.23 1qrg s GLY 134 Ca 0.03 -0.28 -0.32 0.00 0.00 0.00 0.00 44.72 44.15 1qrg s GLY 134 CO 0.04 0.41 1.51 1.03 0.00 0.00 0.00 173.10 176.09 1qrg n MET 135 N -4.64 2.20 -1.38 2.90 2.81 -1.26 -1.17 117.12 116.57 1qrg n MET 135 Ca 0.04 0.79 -0.13 0.00 -1.81 0.00 0.00 57.70 56.58 1qrg n MET 135 Cb 0.56 -2.51 -0.06 0.00 -0.71 0.00 0.00 33.22 30.50 1qrg n MET 135 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1qrg n GLN 136 N 2.63 -1.38 -2.03 0.03 6.02 -0.76 -1.25 117.38 120.65 1qrg n GLN 136 Ca 0.13 0.94 -0.28 0.00 -0.01 0.00 0.00 57.00 57.78 1qrg n GLN 136 Cb 0.31 -5.21 0.13 0.00 1.02 0.00 0.00 30.24 26.50 1qrg n GLN 136 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qrg s ALA 137 N -2.26 2.63 -0.12 -1.58 0.00 -0.32 -4.07 121.76 116.04 1qrg s ALA 137 Ca 0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 51.96 50.83 1qrg s ALA 137 Cb 0.00 -2.72 0.05 0.00 0.00 0.00 0.00 23.12 20.45 1qrg s ALA 137 CO 0.00 -1.97 0.28 0.12 0.00 0.00 0.00 175.76 174.19 1qrg s PHE 138 N -3.64 -0.40 -0.08 0.00 5.36 -0.84 -1.77 117.98 116.61 1qrg s PHE 138 Ca 0.68 0.91 0.02 0.00 -0.96 0.00 0.00 56.93 57.58 1qrg s PHE 138 Cb -0.07 0.09 0.01 0.00 -0.34 0.00 0.00 43.02 42.71 1qrg s PHE 138 CO 0.50 -0.27 -0.13 0.08 -1.46 0.00 0.00 175.22 173.94 1qrg s VAL 139 N 1.41 1.28 -0.18 3.12 1.01 -0.57 -0.99 120.40 125.49 1qrg s VAL 139 Ca -0.08 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1qrg s VAL 139 Cb -0.10 -1.18 0.06 0.00 0.00 0.00 0.00 36.38 35.16 1qrg s VAL 139 CO -0.09 0.39 0.44 0.12 0.00 0.00 0.00 175.10 175.96 1qrg s PHE 140 N 0.84 -0.61 -1.45 5.22 5.36 -0.69 -0.38 117.98 126.27 1qrg s PHE 140 Ca -0.11 1.33 -0.10 0.00 -0.96 0.00 0.00 56.93 57.10 1qrg s PHE 140 Cb -0.15 0.27 0.06 0.00 -0.34 0.00 0.00 43.02 42.85 1qrg s PHE 140 CO 0.01 -0.33 0.93 1.63 -1.46 0.00 0.00 175.22 176.01 1qrg n LYS 141 N 3.94 -5.66 -4.01 10.12 5.02 0.01 -1.63 118.16 125.96 1qrg n LYS 141 Ca -0.21 0.63 -0.09 0.00 -2.02 0.00 0.00 58.31 56.63 1qrg n LYS 141 Cb 0.56 -5.46 -0.09 0.00 -0.02 0.00 0.00 35.03 30.02 1qrg n LYS 141 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1qrg s SER 142 N -3.60 0.24 -0.23 4.39 0.01 -1.13 -1.68 113.70 111.70 1qrg s SER 142 Ca 0.48 -0.91 0.02 0.00 1.31 0.00 0.00 55.95 56.84 1qrg s SER 142 Cb -0.24 0.31 0.05 0.00 0.21 0.00 0.00 66.02 66.36 1qrg s SER 142 CO 0.81 -0.73 -0.12 -0.54 0.41 0.00 0.00 173.24 173.08 1qrg s LYS 143 N -3.94 2.24 -0.21 12.44 1.02 -0.07 -1.75 119.74 129.47 1qrg s LYS 143 Ca 0.12 -1.14 -0.13 0.00 0.02 0.00 0.00 55.97 54.84 1qrg s LYS 143 Cb 0.06 -2.73 -0.05 0.00 -0.52 0.00 0.00 37.83 34.60 1qrg s LYS 143 CO -0.06 -0.50 0.26 0.08 -0.92 0.00 0.00 175.35 174.21 1qrg s VAL 144 N 1.21 5.30 0.95 3.17 1.01 0.96 -0.45 120.40 132.55 1qrg s VAL 144 Ca -0.05 0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.18 1qrg s VAL 144 Cb -0.18 -3.59 0.24 0.00 0.00 0.00 0.00 36.38 32.84 1qrg s VAL 144 CO -0.07 0.33 0.80 0.61 0.00 0.00 0.00 175.10 176.77 1qrg n GLY 145 N 3.94 -2.86 3.85 4.51 0.00 0.33 -0.11 105.19 114.85 1qrg n GLY 145 Ca -0.12 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 1qrg n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qrg s ASN 146 N -3.60 6.41 -1.46 1.61 4.22 -1.26 -3.56 114.94 117.29 1qrg s ASN 146 Ca 0.53 1.51 -0.07 0.00 -2.14 0.00 0.00 52.86 52.70 1qrg s ASN 146 Cb -0.06 -2.49 0.03 0.00 1.28 0.00 0.00 41.25 40.01 1qrg s ASN 146 CO 0.41 -0.74 0.60 0.59 -2.04 0.00 0.00 177.10 175.93 1qrg n ASN 147 N -2.13 -5.35 -5.00 3.54 3.02 -0.44 -0.89 115.26 108.01 1qrg n ASN 147 Ca 0.06 -0.34 -0.18 0.00 -0.03 0.00 0.00 54.58 54.09 1qrg n ASN 147 Cb 0.54 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.37 1qrg n ASN 147 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qrg s VAL 149 N -2.25 0.41 -0.37 0.00 1.01 -0.86 -1.72 120.40 116.61 1qrg s VAL 149 Ca 0.49 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.42 1qrg s VAL 149 Cb -0.10 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.72 1qrg s VAL 149 CO 0.32 0.25 0.24 -0.76 0.00 0.00 0.00 175.10 175.15 1qrg s LEU 150 N 1.96 4.74 1.02 3.92 1.02 0.50 -0.65 118.68 131.20 1qrg s LEU 150 Ca 0.05 -0.76 -0.12 0.00 0.02 0.00 0.00 54.13 53.32 1qrg s LEU 150 Cb -0.12 -2.10 0.20 0.00 0.02 0.00 0.00 46.19 44.19 1qrg s LEU 150 CO -0.05 -0.35 1.08 -1.61 0.02 0.00 0.00 176.35 175.44 1qrg s GLU 151 N 1.65 0.23 0.23 1.70 2.02 -0.46 0.31 118.70 124.38 1qrg s GLU 151 Ca 0.04 0.64 -0.31 0.00 0.02 0.00 0.00 54.97 55.37 1qrg s GLU 151 Cb -0.18 -1.70 -0.14 0.00 0.10 0.00 0.00 34.13 32.20 1qrg s GLU 151 CO 0.09 -2.90 1.29 -2.30 0.02 0.00 0.00 175.26 171.46 1qrg n PRO 152 N -4.31 1.73 -1.27 0.39 -0.02 -1.26 -1.71 135.00 128.55 1qrg n PRO 152 Ca 0.05 0.62 -0.09 0.00 -2.02 0.00 0.00 63.50 62.05 1qrg n PRO 152 Cb 0.56 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 1qrg n PRO 152 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qrg n ARG 153 N 1.70 -1.31 -2.20 -0.52 5.12 -0.38 -1.86 116.66 117.20 1qrg n ARG 153 Ca 0.12 0.79 -0.26 0.00 -1.93 0.00 0.00 57.85 56.56 1qrg n ARG 153 Cb 0.30 -4.97 0.07 0.00 -1.16 0.00 0.00 32.46 26.70 1qrg n ARG 153 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1qrg s SER 154 N -2.48 4.88 -0.08 0.55 1.04 -0.69 -2.94 113.70 113.98 1qrg s SER 154 Ca 0.00 0.49 -0.17 0.00 0.48 0.00 0.00 55.95 56.76 1qrg s SER 154 Cb 0.00 -1.17 0.04 0.00 0.10 0.00 0.00 66.02 64.99 1qrg s SER 154 CO 0.00 -1.56 0.40 0.00 0.98 0.00 0.00 173.24 173.06 1qrg s ALA 155 N -3.24 -1.02 -0.20 5.32 0.00 0.47 -2.00 121.76 121.10 1qrg s ALA 155 Ca 0.60 0.80 0.01 0.00 0.00 0.00 0.00 51.96 53.37 1qrg s ALA 155 Cb -0.11 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.81 1qrg s ALA 155 CO 0.45 -0.25 -0.12 0.00 0.00 0.00 0.00 175.76 175.83 1qrg s ALA 156 N -0.69 2.11 -0.12 0.00 0.00 -0.16 -0.76 121.76 122.15 1qrg s ALA 156 Ca -0.08 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 50.63 1qrg s ALA 156 Cb -0.04 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1qrg s ALA 156 CO 0.04 -0.75 -0.09 0.42 0.00 0.00 0.00 175.76 175.38 1qrg s ILE 157 N 1.35 1.10 -0.39 0.00 1.01 0.51 -1.70 121.20 123.08 1qrg s ILE 157 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1qrg s ILE 157 Cb -0.16 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.21 1qrg s ILE 157 CO -0.09 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1qrg n GLY 158 N 4.89 0.67 3.43 6.18 0.00 -0.64 -4.24 105.19 115.48 1qrg n GLY 158 Ca -0.13 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 1qrg n GLY 158 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qrg s VAL 159 N -2.10 0.91 -0.19 1.61 -7.23 -1.14 -4.76 120.40 107.50 1qrg s VAL 159 Ca 0.00 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 1qrg s VAL 159 Cb 0.00 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 1qrg s VAL 159 CO 0.00 0.00 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.84 1qrg s THR 160 N -3.38 3.32 -0.35 5.32 2.01 -1.26 -0.89 115.64 120.40 1qrg s THR 160 Ca 0.34 -0.52 -0.15 0.00 0.31 0.00 0.00 61.69 61.67 1qrg s THR 160 Cb 0.07 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.09 1qrg s THR 160 CO 0.15 0.45 0.33 -0.63 -0.69 0.00 0.00 174.62 174.24 1qrg s ILE 161 N 1.13 5.20 0.75 1.82 -1.09 0.40 -4.67 121.20 124.74 1qrg s ILE 161 Ca 0.01 -0.11 -0.15 0.00 -2.23 0.00 0.00 60.65 58.17 1qrg s ILE 161 Cb -0.15 -3.82 0.04 0.00 -1.58 0.00 0.00 42.46 36.96 1qrg s ILE 161 CO -0.01 -0.11 1.17 -2.65 -1.23 0.00 0.00 174.94 172.11 1qrg n PRO 162 N 5.31 0.50 -1.60 2.79 -0.02 -1.26 -0.52 135.00 140.20 1qrg n PRO 162 Ca -0.10 0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 61.22 1qrg n PRO 162 Cb 0.49 -2.41 0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1qrg n PRO 162 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1qrg n ASP 163 N -2.56 0.94 -1.37 2.55 10.43 -1.26 -2.97 116.55 122.32 1qrg n ASP 163 Ca 0.14 0.94 -0.16 0.00 2.57 0.00 0.00 54.79 58.28 1qrg n ASP 163 Cb 0.50 -1.35 -0.06 0.00 1.84 0.00 0.00 41.12 42.04 1qrg n ASP 163 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1qrg n GLY 164 N 1.26 1.29 3.75 0.44 0.00 -0.07 -4.97 105.19 106.89 1qrg n GLY 164 Ca 0.11 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1qrg n GLY 164 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qrg s ARG 165 N -3.65 2.42 0.18 1.61 1.81 -1.16 -1.00 118.95 119.16 1qrg s ARG 165 Ca 0.00 -1.52 0.08 0.00 -1.72 0.00 0.00 55.73 52.57 1qrg s ARG 165 Cb 0.00 -2.21 -0.04 0.00 -0.45 0.00 0.00 34.95 32.24 1qrg s ARG 165 CO 0.00 0.11 -0.16 1.52 -0.68 0.00 0.00 175.30 176.09 1qrg s TYR 166 N -2.41 1.73 -0.26 -0.53 -0.85 -0.29 -2.04 117.35 112.70 1qrg s TYR 166 Ca 0.38 -0.52 -0.01 0.00 -0.52 0.00 0.00 57.07 56.41 1qrg s TYR 166 Cb -0.03 -0.84 0.04 0.00 0.38 0.00 0.00 41.96 41.51 1qrg s TYR 166 CO 0.23 0.32 -0.06 0.42 -1.52 0.00 0.00 175.55 174.95 1qrg s ILE 167 N -2.42 2.76 0.37 -3.49 1.01 0.18 -3.95 121.20 115.65 1qrg s ILE 167 Ca 0.18 -1.23 -0.24 0.00 0.00 0.00 0.00 60.65 59.35 1qrg s ILE 167 Cb -0.04 -2.48 -0.13 0.00 0.01 0.00 0.00 42.46 39.82 1qrg s ILE 167 CO 0.06 0.08 0.64 -2.65 0.00 0.00 0.00 174.94 173.08 1qrg n PRO 168 N 4.61 0.68 -1.61 2.79 -0.02 -1.26 -1.36 135.00 138.83 1qrg n PRO 168 Ca -0.15 0.24 -0.49 0.00 -2.02 0.00 0.00 63.50 61.09 1qrg n PRO 168 Cb 0.45 -1.53 -0.04 0.00 -0.02 0.00 0.00 33.50 32.36 1qrg n PRO 168 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qrg n ALA 169 N -0.55 -0.16 0.00 3.55 0.00 -1.26 -1.88 120.51 120.21 1qrg n ALA 169 Ca 0.12 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1qrg n ALA 169 Cb 0.36 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1qrg n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qrg n GLY 170 N 2.43 2.57 3.71 0.00 0.00 -0.78 -4.86 105.19 108.26 1qrg n GLY 170 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1qrg n GLY 170 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qrg s MET 171 N -0.31 4.50 -0.41 1.61 0.00 -0.79 -4.75 119.30 119.16 1qrg s MET 171 Ca 0.00 1.60 -0.10 0.00 0.00 0.00 0.00 55.69 57.19 1qrg s MET 171 Cb 0.00 -3.40 0.06 0.00 0.00 0.00 0.00 34.83 31.49 1qrg s MET 171 CO 0.00 -0.14 0.25 0.08 0.00 0.00 0.00 175.02 175.21 1qrg s VAL 172 N 0.98 4.42 -0.39 10.11 1.01 -1.26 -0.40 120.40 134.87 1qrg s VAL 172 Ca 0.55 -1.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 1qrg s VAL 172 Cb -0.25 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1qrg s VAL 172 CO 0.29 -0.43 0.51 -0.69 0.00 0.00 0.00 175.10 174.78 1qrg s VAL 173 N 1.48 5.00 -0.04 2.92 1.01 0.06 -4.91 120.40 125.92 1qrg s VAL 173 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1qrg s VAL 173 Cb -0.22 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1qrg s VAL 173 CO 0.04 -0.35 0.51 0.35 0.00 0.00 0.00 175.10 175.64 1qrg n THR 174 N 5.52 0.00 -4.25 3.92 -2.24 -1.26 -0.36 114.28 115.60 1qrg n THR 174 Ca -0.05 -0.50 -0.18 0.00 -2.27 0.00 0.00 64.05 61.05 1qrg n THR 174 Cb 0.48 1.01 -0.13 0.00 -2.10 0.00 0.00 70.33 69.59 1qrg n THR 174 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qrg s SER 175 N -0.04 1.35 0.51 3.42 1.04 -1.26 -4.78 113.70 113.94 1qrg s SER 175 Ca 0.00 -0.44 0.18 0.00 0.48 0.00 0.00 55.95 56.17 1qrg s SER 175 Cb 0.00 -0.07 1.26 0.00 0.10 0.00 0.00 66.02 67.32 1qrg s SER 175 CO 0.00 -0.02 2.11 -0.61 0.98 0.00 0.00 173.24 175.70 1qrg h GLN 176 N 4.93 0.00 -0.51 4.02 5.75 -1.95 -0.81 115.11 126.54 1qrg h GLN 176 Ca -0.36 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.06 1qrg h GLN 176 Cb 1.19 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.72 1qrg h GLN 176 CO 0.44 0.06 0.03 0.00 -2.65 0.00 0.00 178.83 176.70 1qrg h ALA 177 N 1.94 0.68 -0.18 3.38 0.00 -1.99 -0.31 119.26 122.78 1qrg h ALA 177 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1qrg h ALA 177 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1qrg h ALA 177 CO 0.01 0.47 -0.01 0.93 0.00 0.00 0.00 179.25 180.65 1qrg h GLU 178 N 0.75 0.33 -0.59 0.00 5.08 -1.62 -3.16 114.58 115.37 1qrg h GLU 178 Ca 0.15 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1qrg h GLU 178 Cb 0.48 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1qrg h GLU 178 CO 0.02 0.55 0.32 0.00 -1.00 0.00 0.00 179.01 178.90 1qrg h ALA 179 N 0.77 1.45 -0.05 3.43 0.00 -0.96 -1.74 119.26 122.16 1qrg h ALA 179 Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1qrg h ALA 179 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1qrg h ALA 179 CO 0.01 0.45 -0.11 -0.44 0.00 0.00 0.00 179.25 179.17 1qrg h ASP 180 N 0.82 0.07 -0.55 0.00 3.32 -1.06 -2.83 116.42 116.20 1qrg h ASP 180 Ca 0.21 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1qrg h ASP 180 Cb 0.03 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1qrg h ASP 180 CO -0.03 0.19 0.00 0.29 -1.72 0.00 0.00 179.24 177.96 1qrg n LYS 181 N -4.37 4.71 -1.23 3.56 5.02 -0.66 -4.98 118.16 120.20 1qrg n LYS 181 Ca -0.02 -2.99 -0.32 0.00 -2.02 0.00 0.00 58.31 52.97 1qrg n LYS 181 Cb 0.20 -2.23 0.10 0.00 -0.02 0.00 0.00 35.03 33.08 1qrg n LYS 181 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qrg s LEU 182 N -2.61 3.08 0.75 -0.35 1.43 -1.07 -4.98 118.68 114.93 1qrg s LEU 182 Ca 0.52 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 55.51 1qrg s LEU 182 Cb 0.39 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 42.11 1qrg s LEU 182 CO 0.15 -2.25 1.08 -2.16 0.23 0.00 0.00 176.35 173.40 1qrg s PRO 183 N -4.58 2.49 0.08 1.29 0.04 -1.25 -4.84 135.00 128.22 1qrg s PRO 183 Ca 0.65 1.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.67 1qrg s PRO 183 Cb -0.20 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1qrg s PRO 183 CO 0.53 -1.45 0.36 -2.00 0.04 0.00 0.00 177.00 174.48 1qrg s GLU 184 N -4.97 3.68 0.01 4.56 2.12 -1.26 -1.14 118.70 121.69 1qrg s GLU 184 Ca 0.60 0.04 -0.30 0.00 0.36 0.00 0.00 54.97 55.66 1qrg s GLU 184 Cb -0.16 -2.97 -0.05 0.00 0.26 0.00 0.00 34.13 31.21 1qrg s GLU 184 CO 0.56 0.55 1.20 0.08 -0.54 0.00 0.00 175.26 177.11 1qrg s VAL 185 N -1.45 4.15 0.38 3.70 1.01 -0.17 -4.79 120.40 123.23 1qrg s VAL 185 Ca 0.34 1.52 0.06 0.00 0.00 0.00 0.00 61.98 63.90 1qrg s VAL 185 Cb -0.13 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 1qrg s VAL 185 CO 0.19 0.07 0.03 0.42 0.00 0.00 0.00 175.10 175.81 1qrg s THR 186 N 1.57 1.66 0.35 3.92 -4.23 -1.26 -4.98 115.64 112.67 1qrg s THR 186 Ca 0.57 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.17 1qrg s THR 186 Cb -0.27 -2.90 0.32 0.00 1.34 0.00 0.00 72.50 70.98 1qrg s THR 186 CO 0.26 0.00 1.87 0.44 -0.54 0.00 0.00 174.62 176.65 1qrg h ASP 187 N 1.90 0.68 -0.02 3.99 3.32 -1.96 -1.14 116.42 123.18 1qrg h ASP 187 Ca -0.43 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1qrg h ASP 187 Cb 1.24 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1qrg h ASP 187 CO 0.76 0.35 0.00 0.47 -1.72 0.00 0.00 179.24 179.10 1qrg n ASP 188 N -4.56 1.32 -4.76 6.45 9.92 -1.26 -4.81 116.55 118.85 1qrg n ASP 188 Ca 0.17 -1.44 -0.41 0.00 -0.53 0.00 0.00 54.79 52.58 1qrg n ASP 188 Cb 0.45 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.89 1qrg n ASP 188 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1qrg s TYR 189 N -1.99 3.26 0.41 1.24 5.04 -0.43 -4.92 117.35 119.96 1qrg s TYR 189 Ca 0.39 1.48 0.15 0.00 -2.44 0.00 0.00 57.07 56.64 1qrg s TYR 189 Cb 0.21 -3.53 1.01 0.00 0.35 0.00 0.00 41.96 39.99 1qrg s TYR 189 CO 0.34 -1.43 1.89 0.00 -1.34 0.00 0.00 175.55 175.01 1qrg h ALA 190 N 3.89 2.07 -0.65 3.97 0.00 -1.89 -1.32 119.26 125.32 1qrg h ALA 190 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1qrg h ALA 190 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1qrg h ALA 190 CO 0.68 -0.30 0.00 0.66 0.00 0.00 0.00 179.25 180.29 1qrg n TYR 191 N -4.50 1.61 0.08 0.00 4.02 -1.26 -4.61 117.16 112.49 1qrg n TYR 191 Ca 0.16 -0.63 0.06 0.00 -0.01 0.00 0.00 57.90 57.48 1qrg n TYR 191 Cb 0.56 -0.29 0.50 0.00 -0.02 0.00 0.00 39.34 40.09 1qrg n TYR 191 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1qrg h SER 192 N 4.17 0.31 -0.32 7.72 4.64 -1.50 -2.62 113.55 125.95 1qrg h SER 192 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1qrg h SER 192 Cb 1.55 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1qrg h SER 192 CO 0.27 0.22 0.00 1.41 -0.87 0.00 0.00 176.83 177.87 1qrg n HIS 193 N -4.50 0.41 -0.02 4.77 8.25 -1.26 -4.70 115.22 118.17 1qrg n HIS 193 Ca 0.01 -0.35 -0.10 0.00 -0.26 0.00 0.00 57.72 57.02 1qrg n HIS 193 Cb 0.08 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.14 1qrg n HIS 193 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1qrg h THR 194 N 2.60 1.03 -0.56 1.59 2.02 -1.76 -2.98 112.91 114.85 1qrg h THR 194 Ca 0.00 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 1qrg h THR 194 Cb 0.73 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1qrg h THR 194 CO 0.00 0.04 -0.06 -1.13 0.37 0.00 0.00 175.52 174.74 1qrg h ASN 195 N 0.20 1.01 0.47 4.18 -1.24 -1.84 -1.60 115.58 116.76 1qrg h ASN 195 Ca 0.06 -0.31 -0.09 0.00 0.71 0.00 0.00 56.30 56.67 1qrg h ASN 195 Cb -0.01 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.75 1qrg h ASN 195 CO -0.02 1.09 -0.41 1.05 -1.29 0.00 0.00 177.43 177.85 1qrg h GLU 196 N 0.92 0.00 -0.29 6.67 4.11 -1.89 0.24 114.58 124.33 1qrg h GLU 196 Ca 0.15 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.51 1qrg h GLU 196 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1qrg h GLU 196 CO 0.04 0.41 -0.09 0.00 0.07 0.00 0.00 179.01 179.45 1qrg h ALA 197 N 1.59 0.40 -0.66 1.06 0.00 -1.29 -2.10 119.26 118.25 1qrg h ALA 197 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1qrg h ALA 197 Cb 0.76 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1qrg h ALA 197 CO 0.05 0.24 0.37 0.28 0.00 0.00 0.00 179.25 180.19 1qrg h VAL 198 N 0.33 1.21 -0.11 0.00 2.07 -0.74 -0.51 116.25 118.49 1qrg h VAL 198 Ca 0.07 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1qrg h VAL 198 Cb 0.58 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1qrg h VAL 198 CO 0.03 0.23 0.05 0.58 0.02 0.00 0.00 177.57 178.47 1qrg h VAL 199 N 0.91 1.14 -0.29 2.57 2.07 -0.97 1.00 116.25 122.68 1qrg h VAL 199 Ca 0.23 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1qrg h VAL 199 Cb 0.03 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1qrg h VAL 199 CO -0.04 0.13 0.03 0.22 0.02 0.00 0.00 177.57 177.93 1qrg h TYR 200 N 0.03 0.03 0.12 1.57 3.20 -1.14 0.27 116.97 121.06 1qrg h TYR 200 Ca 0.04 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1qrg h TYR 200 Cb 0.16 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1qrg h TYR 200 CO -0.02 -0.02 -0.09 0.28 -1.64 0.00 0.00 178.16 176.67 1qrg h VAL 201 N 0.12 0.80 -0.33 1.81 2.07 -0.98 -2.56 116.25 117.17 1qrg h VAL 201 Ca 0.14 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.58 1qrg h VAL 201 Cb 0.17 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1qrg h VAL 201 CO -0.21 0.00 -0.13 0.78 0.02 0.00 0.00 177.57 178.04 1qrg h ASN 202 N -0.22 0.56 -0.27 0.57 2.35 -0.36 0.30 115.58 118.51 1qrg h ASN 202 Ca -0.00 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1qrg h ASN 202 Cb 0.20 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1qrg h ASN 202 CO -0.01 0.72 0.16 0.58 -1.65 0.00 0.00 177.43 177.23 1qrg h VAL 203 N 0.53 1.02 -0.66 2.81 2.07 -0.91 -0.68 116.25 120.44 1qrg h VAL 203 Ca 0.09 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1qrg h VAL 203 Cb 0.53 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1qrg h VAL 203 CO 0.03 0.06 0.16 0.45 0.02 0.00 0.00 177.57 178.29 1qrg h HIS 204 N 0.32 1.08 -0.74 1.57 3.86 -1.11 -2.40 115.15 117.74 1qrg h HIS 204 Ca 0.11 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1qrg h HIS 204 Cb 0.00 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.13 1qrg h HIS 204 CO -0.08 0.89 0.29 -0.07 0.86 0.00 0.00 177.93 179.81 1qrg h LEU 205 N 0.99 1.03 -0.46 2.43 3.38 -0.74 -0.37 115.31 121.57 1qrg h LEU 205 Ca 0.21 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1qrg h LEU 205 Cb 0.35 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1qrg h LEU 205 CO 0.00 0.92 0.27 0.00 0.09 0.00 0.00 178.44 179.73 1qrg h ALA 206 N 1.14 0.59 -0.30 1.53 0.00 -0.95 0.27 119.26 121.55 1qrg h ALA 206 Ca 0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1qrg h ALA 206 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1qrg h ALA 206 CO -0.02 -0.04 0.02 1.49 0.00 0.00 0.00 179.25 180.70 1qrg h GLU 207 N 0.54 0.51 -0.12 0.00 4.57 -1.25 0.54 114.58 119.37 1qrg h GLU 207 Ca 0.19 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1qrg h GLU 207 Cb 0.02 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1qrg h GLU 207 CO -0.09 0.64 0.08 0.78 -1.18 0.00 0.00 179.01 179.24 1qrg h GLY 208 N 0.31 0.17 2.00 1.92 0.00 -0.66 -2.27 103.07 104.55 1qrg h GLY 208 Ca 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1qrg h GLY 208 CO 0.01 0.06 -0.27 -0.97 0.00 0.00 0.00 176.54 175.38 1qrg h TYR 209 N 0.17 0.00 0.00 5.60 -1.99 -0.32 -2.02 116.97 118.40 1qrg h TYR 209 Ca 0.05 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.73 1qrg h TYR 209 Cb -0.02 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 1qrg h TYR 209 CO -0.07 0.27 -0.20 0.87 -0.00 0.00 0.00 178.16 179.03 1qrg h LYS 210 N 0.00 0.00 -0.02 4.88 1.79 -0.34 -1.08 116.57 121.80 1qrg h LYS 210 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1qrg h LYS 210 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1qrg h LYS 210 CO 0.03 0.20 0.00 0.39 -1.08 0.00 0.00 179.45 178.99 1qrg n GLU 211 N -3.82 1.16 -0.00 3.15 1.02 -0.76 -2.27 120.64 119.12 1qrg n GLU 211 Ca -0.02 -0.24 0.07 0.00 -0.02 0.00 0.00 57.16 56.96 1qrg n GLU 211 Cb 0.30 -1.40 -0.09 0.00 -0.02 0.00 0.00 31.44 30.22 1qrg n GLU 211 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1qrg n THR 212 N -0.63 0.00 1.48 2.62 -2.24 -0.41 -5.11 114.28 109.98 1qrg n THR 212 Ca 0.19 -0.15 0.14 0.00 -2.27 0.00 0.00 64.05 61.95 1qrg n THR 212 Cb 0.15 0.91 0.51 0.00 -2.10 0.00 0.00 70.33 69.79 1qrg n THR 212 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96