#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qf0 s GLU 42 N 0.00 2.76 -0.22 -0.67 2.02 -1.26 -5.08 118.70 116.25 2qf0 s GLU 42 Ca 0.00 0.15 -0.05 0.00 0.02 0.00 0.00 54.97 55.08 2qf0 s GLU 42 Cb 0.00 -2.15 -0.02 0.00 0.10 0.00 0.00 34.13 32.06 2qf0 s GLU 42 CO 0.00 -0.93 -0.00 0.99 0.02 0.00 0.00 175.26 175.34 2qf0 s THR 43 N -3.19 3.78 0.40 3.63 2.01 -1.26 -5.10 115.64 115.92 2qf0 s THR 43 Ca 0.57 -0.36 -0.27 0.00 0.31 0.00 0.00 61.69 61.94 2qf0 s THR 43 Cb -0.11 -2.73 -0.10 0.00 0.01 0.00 0.00 72.50 69.57 2qf0 s THR 43 CO 0.48 0.40 1.47 -2.84 -0.69 0.00 0.00 174.62 173.44 2qf0 s PRO 44 N 1.40 3.98 0.22 4.92 0.02 -1.26 -4.94 135.00 139.34 2qf0 s PRO 44 Ca 0.05 2.53 -0.31 0.00 0.02 0.00 0.00 61.00 63.30 2qf0 s PRO 44 Cb -0.15 -2.87 -0.10 0.00 0.02 0.00 0.00 34.50 31.40 2qf0 s PRO 44 CO 0.00 -0.63 1.51 0.00 -0.33 0.00 0.00 177.00 177.55 2qf0 s ALA 45 N -1.14 3.70 -0.03 -1.55 0.00 -1.26 -4.97 121.76 116.51 2qf0 s ALA 45 Ca 0.55 1.38 -0.30 0.00 0.00 0.00 0.00 51.96 53.59 2qf0 s ALA 45 Cb -0.46 -3.59 0.08 0.00 0.00 0.00 0.00 23.12 19.14 2qf0 s ALA 45 CO 0.61 -0.79 0.70 0.45 0.00 0.00 0.00 175.76 176.73 2qf0 s SER 46 N 0.67 -0.62 -0.19 0.00 0.15 -1.26 -5.01 113.70 107.43 2qf0 s SER 46 Ca 0.64 0.58 0.15 0.00 0.70 0.00 0.00 55.95 58.02 2qf0 s SER 46 Cb -0.43 0.53 0.46 0.00 -1.71 0.00 0.00 66.02 64.86 2qf0 s SER 46 CO 0.39 -0.64 1.35 -1.22 1.20 0.00 0.00 173.24 174.33 2qf0 n TYR 47 N 0.70 0.69 -0.13 3.44 4.02 -1.26 -4.69 117.16 119.92 2qf0 n TYR 47 Ca -0.18 -1.10 0.07 0.00 -0.01 0.00 0.00 57.90 56.68 2qf0 n TYR 47 Cb 0.58 -0.31 0.39 0.00 -0.02 0.00 0.00 39.34 39.99 2qf0 n TYR 47 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 2qf0 h ASN 48 N 1.12 0.57 -0.88 7.72 -0.73 -1.95 -1.72 115.58 119.71 2qf0 h ASN 48 Ca 0.05 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.27 2qf0 h ASN 48 Cb 1.36 -0.12 -0.06 0.00 0.27 0.00 0.00 38.32 39.77 2qf0 h ASN 48 CO 0.19 0.37 0.56 0.25 -0.37 0.00 0.00 177.43 178.44 2qf0 h LEU 49 N 0.65 0.90 -0.89 0.34 5.85 -1.91 0.53 115.31 120.79 2qf0 h LEU 49 Ca 0.28 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.89 2qf0 h LEU 49 Cb 0.25 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2qf0 h LEU 49 CO -0.08 0.60 -0.49 0.00 -0.34 0.00 0.00 178.44 178.12 2qf0 h ALA 50 N 1.39 1.07 0.33 1.25 0.00 -1.49 -2.61 119.26 119.20 2qf0 h ALA 50 Ca 0.37 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2qf0 h ALA 50 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qf0 h ALA 50 CO -0.15 0.64 -0.16 0.28 0.00 0.00 0.00 179.25 179.86 2qf0 h VAL 51 N 0.11 0.66 -0.35 0.00 2.07 -0.89 -0.92 116.25 116.94 2qf0 h VAL 51 Ca 0.00 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.07 2qf0 h VAL 51 Cb 0.92 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2qf0 h VAL 51 CO 0.07 0.10 0.24 0.03 0.02 0.00 0.00 177.57 178.03 2qf0 h ARG 52 N -0.75 0.14 0.16 1.57 3.08 -0.96 0.26 114.38 117.87 2qf0 h ARG 52 Ca -0.05 -0.01 -0.30 0.00 0.07 0.00 0.00 59.98 59.69 2qf0 h ARG 52 Cb 0.51 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.53 2qf0 h ARG 52 CO 0.07 0.09 -1.42 0.00 -1.07 0.00 0.00 179.97 177.65 2qf0 h ARG 53 N 0.14 0.34 0.00 0.04 3.08 -1.38 -3.42 114.38 113.17 2qf0 h ARG 53 Ca 0.16 -0.58 -0.28 0.00 0.07 0.00 0.00 59.98 59.36 2qf0 h ARG 53 Cb 0.45 0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 2qf0 h ARG 53 CO -0.02 1.25 -2.05 0.00 -1.07 0.00 0.00 179.97 178.08 2qf0 n ALA 54 N -2.64 1.61 -0.21 0.04 0.00 -0.36 -4.48 120.51 114.46 2qf0 n ALA 54 Ca -0.14 -0.81 0.02 0.00 0.00 0.00 0.00 53.44 52.51 2qf0 n ALA 54 Cb 1.05 0.06 0.12 0.00 0.00 0.00 0.00 19.45 20.68 2qf0 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qf0 h ALA 55 N 0.08 0.70 -0.27 0.00 0.00 -0.67 -1.23 119.26 117.87 2qf0 h ALA 55 Ca -0.41 0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.75 2qf0 h ALA 55 Cb 1.67 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 2qf0 h ALA 55 CO -0.05 -0.37 0.48 -1.35 0.00 0.00 0.00 179.25 177.96 2qf0 h PRO 56 N 0.17 0.00 -0.01 0.00 0.11 -1.82 0.12 132.00 130.58 2qf0 h PRO 56 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 2qf0 h PRO 56 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2qf0 h PRO 56 CO -0.51 0.00 -0.28 0.00 -0.21 0.00 0.00 178.00 177.01 2qf0 n ALA 57 N -2.11 3.12 -2.68 -0.75 0.00 -0.47 -4.57 120.51 113.06 2qf0 n ALA 57 Ca 0.04 -0.45 -0.36 0.00 0.00 0.00 0.00 53.44 52.67 2qf0 n ALA 57 Cb 0.61 -1.07 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 2qf0 n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qf0 s VAL 58 N -2.46 5.37 0.29 0.00 1.01 0.43 -0.69 120.40 124.34 2qf0 s VAL 58 Ca 0.24 0.19 0.09 0.00 0.00 0.00 0.00 61.98 62.50 2qf0 s VAL 58 Cb 0.19 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2qf0 s VAL 58 CO 0.51 0.37 0.08 0.68 0.00 0.00 0.00 175.10 176.74 2qf0 s VAL 59 N 0.91 3.47 -0.16 2.92 -7.23 0.13 -4.57 120.40 115.86 2qf0 s VAL 59 Ca 0.08 -1.76 -0.16 0.00 -1.81 0.00 0.00 61.98 58.32 2qf0 s VAL 59 Cb -0.13 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 2qf0 s VAL 59 CO 0.03 -0.31 0.41 0.20 -0.31 0.00 0.00 175.10 175.12 2qf0 s ASN 60 N -3.76 6.54 -0.12 4.85 0.01 -0.79 -0.76 114.94 120.90 2qf0 s ASN 60 Ca 0.34 0.63 -0.02 0.00 -0.71 0.00 0.00 52.86 53.10 2qf0 s ASN 60 Cb -0.05 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.34 2qf0 s ASN 60 CO 0.22 -0.01 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.07 2qf0 s VAL 61 N 0.84 3.93 -0.12 1.60 1.01 0.85 -1.00 120.40 127.52 2qf0 s VAL 61 Ca 0.21 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2qf0 s VAL 61 Cb -0.14 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.57 2qf0 s VAL 61 CO 0.08 0.54 -0.19 -0.31 0.00 0.00 0.00 175.10 175.22 2qf0 s TYR 62 N -0.17 2.27 -0.37 5.22 1.51 0.80 -0.49 117.35 126.12 2qf0 s TYR 62 Ca 0.03 -1.07 -0.17 0.00 -1.01 0.00 0.00 57.07 54.85 2qf0 s TYR 62 Cb -0.13 -1.58 -0.00 0.00 -0.11 0.00 0.00 41.96 40.14 2qf0 s TYR 62 CO 0.02 -0.51 0.43 1.21 -1.11 0.00 0.00 175.55 175.60 2qf0 s ASN 63 N 0.83 6.23 -0.07 2.29 3.84 0.32 -1.58 114.94 126.80 2qf0 s ASN 63 Ca -0.09 -0.28 0.03 0.00 0.21 0.00 0.00 52.86 52.73 2qf0 s ASN 63 Cb -0.16 -2.23 -0.02 0.00 -0.55 0.00 0.00 41.25 38.29 2qf0 s ASN 63 CO -0.00 -0.45 -0.16 -0.13 -2.79 0.00 0.00 177.10 173.57 2qf0 s ARG 64 N 2.18 2.67 0.26 0.43 0.52 -0.62 0.45 118.95 124.84 2qf0 s ARG 64 Ca 0.14 -0.72 0.09 0.00 -0.52 0.00 0.00 55.73 54.72 2qf0 s ARG 64 Cb -0.16 -2.39 -0.05 0.00 0.52 0.00 0.00 34.95 32.86 2qf0 s ARG 64 CO 0.13 0.52 -0.13 0.20 0.02 0.00 0.00 175.30 176.03 2qf0 s GLY 65 N -0.45 1.75 0.24 -3.53 0.00 -0.49 -1.09 107.32 103.75 2qf0 s GLY 65 Ca 0.05 -1.84 -0.30 0.00 0.00 0.00 0.00 44.72 42.64 2qf0 s GLY 65 CO 0.02 -1.87 1.09 1.08 0.00 0.00 0.00 173.10 173.41 2qf0 s LEU 66 N -3.44 4.54 -0.85 0.66 1.43 -1.26 -1.71 118.68 118.05 2qf0 s LEU 66 Ca 0.28 2.17 -0.16 0.00 -1.03 0.00 0.00 54.13 55.39 2qf0 s LEU 66 Cb -0.00 -3.62 0.19 0.00 0.03 0.00 0.00 46.19 42.79 2qf0 s LEU 66 CO 0.12 -0.15 0.87 0.21 0.23 0.00 0.00 176.35 177.63 2qf0 s ASN 67 N -0.60 6.70 0.55 2.29 3.84 0.95 -4.86 114.94 123.82 2qf0 s ASN 67 Ca 0.46 -2.45 0.27 0.00 0.21 0.00 0.00 52.86 51.35 2qf0 s ASN 67 Cb -0.30 -2.27 1.58 0.00 -0.55 0.00 0.00 41.25 39.70 2qf0 s ASN 67 CO 0.38 -0.74 2.15 0.74 -2.79 0.00 0.00 177.10 176.84 2qf0 h THR 68 N 5.15 0.62 -0.00 -5.21 2.02 -1.94 -0.69 112.91 112.86 2qf0 h THR 68 Ca 0.11 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 2qf0 h THR 68 Cb 1.04 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2qf0 h THR 68 CO 0.88 0.06 0.00 0.59 0.37 0.00 0.00 175.52 177.42 2qf0 n ASN 69 N -3.84 2.25 0.00 4.18 5.03 -1.26 -4.77 115.26 116.85 2qf0 n ASN 69 Ca -0.02 -2.00 0.00 0.00 0.87 0.00 0.00 54.58 53.42 2qf0 n ASN 69 Cb 0.16 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.42 2qf0 n ASN 69 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2qf0 n SER 70 N 0.31 0.00 -2.21 6.41 7.64 -0.30 -5.03 113.62 120.44 2qf0 n SER 70 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 2qf0 n SER 70 Cb 0.41 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.56 2qf0 n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qf0 n HIS 71 N 0.00 1.27 -3.92 1.43 1.44 -1.25 -4.76 115.22 109.43 2qf0 n HIS 71 Ca 0.00 -1.84 -0.26 0.00 -2.01 0.00 0.00 57.72 53.61 2qf0 n HIS 71 Cb 0.00 -1.26 -0.01 0.00 0.12 0.00 0.00 29.99 28.84 2qf0 n HIS 71 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 2qf0 n ASN 72 N 1.00 -0.96 -4.83 4.39 4.13 -0.99 -4.94 115.26 113.06 2qf0 n ASN 72 Ca 0.41 -0.96 -0.38 0.00 1.68 0.00 0.00 54.58 55.33 2qf0 n ASN 72 Cb 0.61 -3.27 -0.06 0.00 -1.54 0.00 0.00 39.78 35.52 2qf0 n ASN 72 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2qf0 s GLN 73 N -6.47 3.98 0.22 3.52 0.74 -1.25 -4.57 119.66 115.82 2qf0 s GLN 73 Ca 0.10 0.46 -0.30 0.00 0.05 0.00 0.00 55.36 55.67 2qf0 s GLN 73 Cb -0.05 -3.23 -0.08 0.00 1.10 0.00 0.00 33.01 30.74 2qf0 s GLN 73 CO 0.87 0.66 0.97 -0.51 -0.55 0.00 0.00 175.29 176.74 2qf0 s LEU 74 N -1.02 4.61 0.10 3.68 1.43 -1.26 -0.03 118.68 126.19 2qf0 s LEU 74 Ca 0.25 1.97 -0.19 0.00 -1.03 0.00 0.00 54.13 55.13 2qf0 s LEU 74 Cb -0.17 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.49 2qf0 s LEU 74 CO 0.14 0.07 0.47 -1.83 0.23 0.00 0.00 176.35 175.43 2qf0 s GLU 75 N -0.98 1.08 -0.15 1.70 -1.05 -0.69 -4.93 118.70 113.66 2qf0 s GLU 75 Ca 0.43 -0.48 -0.29 0.00 -0.15 0.00 0.00 54.97 54.48 2qf0 s GLU 75 Cb -0.27 0.48 -0.06 0.00 -0.44 0.00 0.00 34.13 33.85 2qf0 s GLU 75 CO 0.33 -0.42 2.16 -0.89 0.95 0.00 0.00 175.26 177.40 2qf0 n ILE 76 N 0.02 0.45 -0.05 1.83 5.41 -1.26 -1.40 119.36 124.36 2qf0 n ILE 76 Ca -0.17 -0.38 -0.18 0.00 1.00 0.00 0.00 62.75 63.01 2qf0 n ILE 76 Cb 0.62 -2.50 -0.13 0.00 -0.71 0.00 0.00 39.64 36.92 2qf0 n ILE 76 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2qf0 n ARG 77 N 8.45 0.71 -3.47 0.38 0.63 0.17 -4.92 116.66 118.60 2qf0 n ARG 77 Ca 0.28 0.21 -0.13 0.00 -0.92 0.00 0.00 57.85 57.28 2qf0 n ARG 77 Cb 0.44 -1.64 -0.03 0.00 0.45 0.00 0.00 32.46 31.67 2qf0 n ARG 77 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2qf0 s THR 78 N -2.54 0.00 0.05 5.15 2.01 -0.92 -5.01 115.64 114.37 2qf0 s THR 78 Ca -0.24 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 2qf0 s THR 78 Cb 0.07 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 2qf0 s THR 78 CO 0.72 0.00 0.09 -1.48 -0.69 0.00 0.00 174.62 173.26 2qf0 s LEU 79 N -2.12 1.89 0.00 4.42 0.05 -1.26 0.12 118.68 121.77 2qf0 s LEU 79 Ca -0.02 -0.67 0.00 0.00 0.05 0.00 0.00 54.13 53.48 2qf0 s LEU 79 Cb -0.01 0.60 0.00 0.00 -2.05 0.00 0.00 46.19 44.73 2qf0 s LEU 79 CO -0.04 -0.58 0.00 0.61 -0.55 0.00 0.00 176.35 175.79 2qf0 n GLY 80 N 0.43 2.81 3.46 -3.48 0.00 0.35 -4.30 105.19 104.46 2qf0 n GLY 80 Ca -0.17 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 2qf0 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qf0 s SER 81 N 2.00 2.37 0.18 1.61 0.01 0.81 -0.10 113.70 120.58 2qf0 s SER 81 Ca 0.00 -1.55 -0.21 0.00 1.31 0.00 0.00 55.95 55.49 2qf0 s SER 81 Cb 0.00 0.30 0.05 0.00 0.21 0.00 0.00 66.02 66.58 2qf0 s SER 81 CO 0.00 -0.82 0.59 -0.83 0.41 0.00 0.00 173.24 172.60 2qf0 s GLY 82 N -3.52 -0.44 -0.08 3.44 0.00 0.06 -3.82 107.32 102.96 2qf0 s GLY 82 Ca 0.30 0.23 0.03 0.00 0.00 0.00 0.00 44.72 45.29 2qf0 s GLY 82 CO 0.15 0.03 -0.19 0.14 0.00 0.00 0.00 173.10 173.23 2qf0 s VAL 83 N -3.80 1.69 0.69 1.40 1.01 -0.52 0.20 120.40 121.08 2qf0 s VAL 83 Ca 0.04 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 2qf0 s VAL 83 Cb -0.02 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.89 2qf0 s VAL 83 CO -0.08 0.48 1.07 -0.63 0.00 0.00 0.00 175.10 175.93 2qf0 s ILE 84 N 0.45 3.94 0.84 2.22 1.01 0.13 -1.44 121.20 128.35 2qf0 s ILE 84 Ca -0.17 0.63 -0.16 0.00 0.00 0.00 0.00 60.65 60.95 2qf0 s ILE 84 Cb -0.17 -3.51 -0.07 0.00 0.01 0.00 0.00 42.46 38.72 2qf0 s ILE 84 CO 0.07 -0.82 -0.02 -0.67 0.00 0.00 0.00 174.94 173.50 2qf0 n ASP 86 N -3.04 -3.31 0.25 3.58 2.03 -1.18 -2.07 116.55 112.82 2qf0 n ASP 86 Ca 0.07 0.40 0.10 0.00 0.52 0.00 0.00 54.79 55.88 2qf0 n ASP 86 Cb 0.55 -1.02 0.71 0.00 -0.72 0.00 0.00 41.12 40.64 2qf0 n ASP 86 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2qf0 h GLN 87 N -0.83 0.00 0.00 -0.67 1.08 -1.91 -1.75 115.11 111.03 2qf0 h GLN 87 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 2qf0 h GLN 87 Cb 1.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 2qf0 h GLN 87 CO 0.34 0.00 0.00 0.54 -0.95 0.00 0.00 178.83 178.76 2qf0 n ARG 88 N -4.36 0.48 -0.48 1.46 1.74 -1.26 -4.67 116.66 109.56 2qf0 n ARG 88 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2qf0 n ARG 88 Cb 0.12 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2qf0 n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qf0 n GLY 89 N -0.03 0.72 3.73 -0.13 0.00 -0.66 -4.67 105.19 104.13 2qf0 n GLY 89 Ca 0.11 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2qf0 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qf0 s TYR 90 N -2.00 3.76 -0.03 1.61 1.51 -1.23 -1.75 117.35 119.23 2qf0 s TYR 90 Ca 0.00 1.72 0.03 0.00 -1.01 0.00 0.00 57.07 57.82 2qf0 s TYR 90 Cb 0.00 -3.03 -0.00 0.00 -0.11 0.00 0.00 41.96 38.81 2qf0 s TYR 90 CO 0.00 0.16 -0.13 0.42 -1.11 0.00 0.00 175.55 174.89 2qf0 s ILE 91 N 0.24 1.09 0.04 2.71 1.01 0.85 -3.10 121.20 124.04 2qf0 s ILE 91 Ca 0.47 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.54 2qf0 s ILE 91 Cb -0.22 -0.95 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 2qf0 s ILE 91 CO 0.28 0.32 0.26 -0.63 0.00 0.00 0.00 174.94 175.17 2qf0 s ILE 92 N 0.08 5.33 0.37 2.92 1.01 -0.52 0.18 121.20 130.58 2qf0 s ILE 92 Ca -0.03 -0.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 2qf0 s ILE 92 Cb -0.10 -3.59 0.06 0.00 0.01 0.00 0.00 42.46 38.85 2qf0 s ILE 92 CO 0.01 0.25 0.81 0.28 0.00 0.00 0.00 174.94 176.29 2qf0 s THR 93 N -1.42 0.00 0.16 2.92 -1.32 -0.29 -1.44 115.64 114.26 2qf0 s THR 93 Ca 0.32 -0.97 -0.19 0.00 -1.21 0.00 0.00 61.69 59.64 2qf0 s THR 93 Cb -0.13 -2.90 -0.08 0.00 -1.51 0.00 0.00 72.50 67.89 2qf0 s THR 93 CO 0.21 0.00 0.65 0.20 -2.21 0.00 0.00 174.62 173.47 2qf0 s ASN 94 N -3.10 7.05 0.25 8.08 0.02 -1.26 -0.31 114.94 125.67 2qf0 s ASN 94 Ca 0.16 1.33 -0.06 0.00 -1.02 0.00 0.00 52.86 53.27 2qf0 s ASN 94 Cb -0.05 -2.38 0.28 0.00 0.02 0.00 0.00 41.25 39.11 2qf0 s ASN 94 CO 0.11 0.13 1.93 0.50 0.02 0.00 0.00 177.10 179.79 2qf0 h LYS 95 N 3.84 1.31 0.00 -0.60 3.64 -1.20 -1.95 116.57 121.61 2qf0 h LYS 95 Ca -0.48 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 2qf0 h LYS 95 Cb 1.20 -0.30 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2qf0 h LYS 95 CO 0.65 0.87 0.00 -2.39 -2.27 0.00 0.00 179.45 176.31 2qf0 n HIS 96 N -4.39 0.40 0.08 1.91 1.44 -1.26 -1.92 115.22 111.48 2qf0 n HIS 96 Ca 0.12 0.18 -0.12 0.00 -2.01 0.00 0.00 57.72 55.89 2qf0 n HIS 96 Cb 0.02 -0.79 -0.13 0.00 0.12 0.00 0.00 29.99 29.21 2qf0 n HIS 96 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2qf0 h VAL 97 N 0.00 1.51 -0.14 0.61 2.07 -1.74 -3.36 116.25 115.20 2qf0 h VAL 97 Ca 0.00 -3.15 0.00 0.00 0.82 0.00 0.00 66.70 64.37 2qf0 h VAL 97 Cb 0.17 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2qf0 h VAL 97 CO 0.00 0.90 0.00 2.30 0.02 0.00 0.00 177.57 180.79 2qf0 n ILE 98 N -3.43 0.31 -1.75 4.57 -6.64 -0.81 -4.51 119.36 107.10 2qf0 n ILE 98 Ca -0.07 -0.66 -0.42 0.00 -1.77 0.00 0.00 62.75 59.84 2qf0 n ILE 98 Cb 1.00 1.04 -0.01 0.00 -1.44 0.00 0.00 39.64 40.22 2qf0 n ILE 98 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2qf0 n ASN 99 N 0.74 3.80 -1.96 7.28 3.02 -0.85 -2.59 115.26 124.70 2qf0 n ASN 99 Ca 0.10 1.18 -0.20 0.00 -0.03 0.00 0.00 54.58 55.63 2qf0 n ASN 99 Cb 0.37 -1.60 -0.05 0.00 -0.61 0.00 0.00 39.78 37.90 2qf0 n ASN 99 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qf0 n ASP 100 N 1.47 -5.37 -4.74 6.41 10.43 -1.26 -4.96 116.55 118.54 2qf0 n ASP 100 Ca 0.06 0.26 -0.41 0.00 2.57 0.00 0.00 54.79 57.27 2qf0 n ASP 100 Cb 0.37 -4.63 -0.05 0.00 1.84 0.00 0.00 41.12 38.66 2qf0 n ASP 100 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qf0 s ALA 101 N -2.81 3.30 0.02 2.24 0.00 -1.07 -4.88 121.76 118.57 2qf0 s ALA 101 Ca 0.00 0.65 0.05 0.00 0.00 0.00 0.00 51.96 52.66 2qf0 s ALA 101 Cb 0.00 -3.28 -0.24 0.00 0.00 0.00 0.00 23.12 19.60 2qf0 s ALA 101 CO 0.00 -0.02 0.92 -0.44 0.00 0.00 0.00 175.76 176.22 2qf0 h ASP 102 N 5.11 0.14 -3.46 0.00 3.32 -1.47 -3.46 116.42 116.60 2qf0 h ASP 102 Ca -0.44 -0.20 -0.15 0.00 0.02 0.00 0.00 57.03 56.27 2qf0 h ASP 102 Cb 1.21 -0.04 -0.27 0.00 0.22 0.00 0.00 39.33 40.44 2qf0 h ASP 102 CO 0.71 1.17 -0.36 -1.58 -1.72 0.00 0.00 179.24 177.45 2qf0 s GLN 103 N -2.64 0.33 -0.19 3.56 0.74 -0.94 -5.04 119.66 115.48 2qf0 s GLN 103 Ca -0.05 0.60 -0.04 0.00 0.05 0.00 0.00 55.36 55.93 2qf0 s GLN 103 Cb 0.08 0.01 -0.02 0.00 1.10 0.00 0.00 33.01 34.19 2qf0 s GLN 103 CO 0.83 -0.12 -0.03 0.42 -0.55 0.00 0.00 175.29 175.84 2qf0 s ILE 104 N 0.97 3.70 -0.10 -2.34 1.01 -1.26 -1.58 121.20 121.59 2qf0 s ILE 104 Ca -0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 2qf0 s ILE 104 Cb -0.07 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 2qf0 s ILE 104 CO -0.07 0.45 -0.03 -0.63 0.00 0.00 0.00 174.94 174.66 2qf0 s ILE 105 N 0.96 4.05 -0.12 2.92 -1.09 -0.62 -0.82 121.20 126.49 2qf0 s ILE 105 Ca 0.00 -0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.11 2qf0 s ILE 105 Cb -0.15 -2.71 0.02 0.00 -1.58 0.00 0.00 42.46 38.04 2qf0 s ILE 105 CO 0.01 0.57 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.45 2qf0 s VAL 106 N -0.49 1.55 -0.15 2.92 1.01 -0.56 -0.14 120.40 124.55 2qf0 s VAL 106 Ca 0.08 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.42 2qf0 s VAL 106 Cb -0.12 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.85 2qf0 s VAL 106 CO 0.02 0.45 -0.22 0.00 0.00 0.00 0.00 175.10 175.36 2qf0 s ALA 107 N 1.09 2.26 0.53 5.51 0.00 -0.17 -1.39 121.76 129.59 2qf0 s ALA 107 Ca -0.04 -1.11 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 2qf0 s ALA 107 Cb -0.14 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2qf0 s ALA 107 CO -0.04 -0.07 0.88 -0.51 0.00 0.00 0.00 175.76 176.02 2qf0 s LEU 108 N 0.88 3.48 0.53 0.00 1.02 -0.37 -1.89 118.68 122.32 2qf0 s LEU 108 Ca -0.05 1.12 0.31 0.00 0.02 0.00 0.00 54.13 55.53 2qf0 s LEU 108 Cb -0.15 -4.11 1.30 0.00 0.02 0.00 0.00 46.19 43.24 2qf0 s LEU 108 CO -0.03 -0.69 1.96 1.56 0.02 0.00 0.00 176.35 179.17 2qf0 h GLN 109 N 0.03 0.00 -0.00 1.70 1.08 -1.80 -2.71 115.11 113.41 2qf0 h GLN 109 Ca -0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 2qf0 h GLN 109 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 2qf0 h GLN 109 CO 0.62 0.06 0.00 -0.40 -0.95 0.00 0.00 178.83 178.16 2qf0 n ASP 110 N -3.19 0.04 0.00 1.46 5.68 -1.26 -4.90 116.55 114.38 2qf0 n ASP 110 Ca 0.00 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 2qf0 n ASP 110 Cb 0.32 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2qf0 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qf0 n GLY 111 N 0.80 2.82 3.78 6.12 0.00 -1.02 -5.09 105.19 112.61 2qf0 n GLY 111 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2qf0 n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qf0 s ARG 112 N -0.78 4.00 -0.03 1.61 0.52 -1.26 -4.87 118.95 118.15 2qf0 s ARG 112 Ca 0.00 1.65 0.03 0.00 -0.52 0.00 0.00 55.73 56.89 2qf0 s ARG 112 Cb 0.00 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.97 2qf0 s ARG 112 CO 0.00 -0.31 -0.10 0.08 0.02 0.00 0.00 175.30 174.99 2qf0 s VAL 113 N -1.59 0.86 0.09 3.52 1.01 -1.26 -1.24 120.40 121.79 2qf0 s VAL 113 Ca 0.60 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.20 2qf0 s VAL 113 Cb -0.25 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2qf0 s VAL 113 CO 0.32 0.27 -0.07 -0.36 0.00 0.00 0.00 175.10 175.25 2qf0 s PHE 114 N 0.20 0.86 -0.24 5.22 0.40 -0.49 -5.01 117.98 118.93 2qf0 s PHE 114 Ca -0.04 -0.86 -0.16 0.00 -0.60 0.00 0.00 56.93 55.27 2qf0 s PHE 114 Cb -0.09 -0.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.90 2qf0 s PHE 114 CO 0.01 -0.14 0.40 -2.00 0.70 0.00 0.00 175.22 174.18 2qf0 s GLU 115 N -3.56 4.09 0.03 0.44 2.12 -1.26 -1.49 118.70 119.07 2qf0 s GLU 115 Ca 0.09 0.14 -0.09 0.00 0.36 0.00 0.00 54.97 55.47 2qf0 s GLU 115 Cb 0.03 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 2qf0 s GLU 115 CO -0.04 -0.17 0.34 0.00 -0.54 0.00 0.00 175.26 174.85 2qf0 s ALA 116 N 1.74 3.77 -0.10 6.30 0.00 0.00 -4.71 121.76 128.77 2qf0 s ALA 116 Ca 0.17 -0.43 -0.06 0.00 0.00 0.00 0.00 51.96 51.64 2qf0 s ALA 116 Cb -0.15 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 2qf0 s ALA 116 CO 0.09 0.58 0.14 -1.17 0.00 0.00 0.00 175.76 175.40 2qf0 s LEU 117 N -1.67 4.36 -0.40 0.00 0.20 -0.20 -4.29 118.68 116.68 2qf0 s LEU 117 Ca 0.29 0.44 -0.27 0.00 0.69 0.00 0.00 54.13 55.28 2qf0 s LEU 117 Cb -0.14 -2.15 0.02 0.00 -0.43 0.00 0.00 46.19 43.50 2qf0 s LEU 117 CO 0.16 0.39 0.99 -0.22 -0.29 0.00 0.00 176.35 177.38 2qf0 s LEU 118 N -1.17 3.91 -0.02 -0.68 2.96 -1.26 -1.00 118.68 121.42 2qf0 s LEU 118 Ca 0.17 0.53 -0.20 0.00 -0.22 0.00 0.00 54.13 54.41 2qf0 s LEU 118 Cb -0.12 -3.35 -0.33 0.00 0.50 0.00 0.00 46.19 42.89 2qf0 s LEU 118 CO 0.06 -0.98 0.93 0.58 -1.32 0.00 0.00 176.35 175.62 2qf0 h VAL 119 N 5.95 1.43 0.00 1.68 2.07 -1.29 -3.49 116.25 122.60 2qf0 h VAL 119 Ca -0.23 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 64.69 2qf0 h VAL 119 Cb 1.07 3.15 0.00 0.00 -1.52 0.00 0.00 31.29 33.99 2qf0 h VAL 119 CO 1.03 0.75 0.00 0.61 0.02 0.00 0.00 177.57 179.98 2qf0 n GLY 120 N 1.69 1.20 3.19 2.17 0.00 -1.09 -4.69 105.19 107.66 2qf0 n GLY 120 Ca -0.15 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 2qf0 n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qf0 s SER 121 N 0.00 0.22 -0.20 1.61 1.04 -1.26 0.40 113.70 115.51 2qf0 s SER 121 Ca 0.00 -0.85 -0.05 0.00 0.48 0.00 0.00 55.95 55.53 2qf0 s SER 121 Cb 0.00 0.32 0.07 0.00 0.10 0.00 0.00 66.02 66.51 2qf0 s SER 121 CO 0.00 -0.73 0.12 -0.62 0.98 0.00 0.00 173.24 172.99 2qf0 s ASP 122 N -2.92 2.37 0.47 7.02 2.15 0.64 -4.71 116.67 121.69 2qf0 s ASP 122 Ca 0.10 -0.66 0.15 0.00 0.43 0.00 0.00 52.55 52.57 2qf0 s ASP 122 Cb 0.06 -0.15 1.10 0.00 -0.30 0.00 0.00 42.92 43.63 2qf0 s ASP 122 CO -0.07 -0.36 2.05 0.77 -0.17 0.00 0.00 175.17 177.38 2qf0 h SER 123 N 8.40 0.00 -0.90 -0.34 4.64 -1.95 0.28 113.55 123.69 2qf0 h SER 123 Ca -0.16 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2qf0 h SER 123 Cb 1.13 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 2qf0 h SER 123 CO 0.31 0.12 0.55 0.25 -0.87 0.00 0.00 176.83 177.20 2qf0 h LEU 124 N 0.00 1.07 -1.04 5.97 5.85 -1.96 -3.00 115.31 122.19 2qf0 h LEU 124 Ca -0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2qf0 h LEU 124 Cb 0.21 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2qf0 h LEU 124 CO 0.02 0.81 -0.17 0.35 -0.34 0.00 0.00 178.44 179.10 2qf0 n THR 125 N -4.37 0.00 -3.07 1.05 -2.24 -1.09 -5.00 114.28 99.57 2qf0 n THR 125 Ca 0.10 -0.42 -0.22 0.00 -2.27 0.00 0.00 64.05 61.25 2qf0 n THR 125 Cb 0.05 1.19 0.04 0.00 -2.10 0.00 0.00 70.33 69.51 2qf0 n THR 125 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2qf0 n ASP 126 N 0.12 -6.01 -4.67 3.42 2.03 0.96 -4.95 116.55 107.44 2qf0 n ASP 126 Ca 0.06 -0.31 -0.28 0.00 0.52 0.00 0.00 54.79 54.78 2qf0 n ASP 126 Cb 0.28 -4.80 -0.08 0.00 -0.72 0.00 0.00 41.12 35.81 2qf0 n ASP 126 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2qf0 s LEU 127 N -6.51 3.37 0.02 -2.67 1.43 -0.97 -0.92 118.68 112.42 2qf0 s LEU 127 Ca 0.33 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 2qf0 s LEU 127 Cb -0.15 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.03 2qf0 s LEU 127 CO 0.41 0.12 0.21 0.00 0.23 0.00 0.00 176.35 177.32 2qf0 s ALA 128 N -1.57 -0.46 -0.07 4.21 0.00 0.57 -0.26 121.76 124.18 2qf0 s ALA 128 Ca 0.27 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.19 2qf0 s ALA 128 Cb -0.10 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 2qf0 s ALA 128 CO 0.18 -0.29 -0.23 0.08 0.00 0.00 0.00 175.76 175.51 2qf0 s VAL 129 N -1.90 1.91 0.31 0.00 1.01 0.16 -1.14 120.40 120.76 2qf0 s VAL 129 Ca -0.10 -0.97 0.11 0.00 0.00 0.00 0.00 61.98 61.02 2qf0 s VAL 129 Cb -0.04 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 2qf0 s VAL 129 CO -0.00 0.53 -0.14 -0.76 0.00 0.00 0.00 175.10 174.73 2qf0 s LEU 130 N 0.07 2.68 -0.00 3.92 1.43 0.13 -0.79 118.68 126.12 2qf0 s LEU 130 Ca -0.09 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 51.91 2qf0 s LEU 130 Cb -0.15 -1.07 -0.00 0.00 0.03 0.00 0.00 46.19 45.00 2qf0 s LEU 130 CO 0.05 -0.09 -0.03 -0.75 0.23 0.00 0.00 176.35 175.77 2qf0 s LYS 131 N -3.57 0.21 0.10 1.70 2.20 -0.17 -0.11 119.74 120.10 2qf0 s LYS 131 Ca 0.31 -0.10 0.08 0.00 -0.36 0.00 0.00 55.97 55.90 2qf0 s LYS 131 Cb -0.01 -0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.07 2qf0 s LYS 131 CO 0.16 0.05 -0.19 0.96 -0.36 0.00 0.00 175.35 175.97 2qf0 s ILE 132 N -0.07 1.58 -0.40 5.43 -4.36 -0.71 -1.03 121.20 121.64 2qf0 s ILE 132 Ca 0.01 -1.49 -0.09 0.00 -0.26 0.00 0.00 60.65 58.82 2qf0 s ILE 132 Cb -0.01 -1.45 0.06 0.00 1.25 0.00 0.00 42.46 42.31 2qf0 s ILE 132 CO -0.00 -0.10 0.22 0.20 0.24 0.00 0.00 174.94 175.50 2qf0 s ASN 133 N -1.87 5.59 -0.06 4.36 0.01 -1.26 -4.47 114.94 117.22 2qf0 s ASN 133 Ca 0.05 -1.36 0.03 0.00 -0.71 0.00 0.00 52.86 50.87 2qf0 s ASN 133 Cb -0.10 -1.97 -0.02 0.00 0.41 0.00 0.00 41.25 39.57 2qf0 s ASN 133 CO 0.04 -0.47 -0.13 0.00 -1.51 0.00 0.00 177.10 175.03 2qf0 s ALA 134 N 1.44 2.69 0.10 0.60 0.00 -1.26 -5.00 121.76 120.32 2qf0 s ALA 134 Ca 0.02 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 2qf0 s ALA 134 Cb -0.22 -1.03 -0.20 0.00 0.00 0.00 0.00 23.12 21.67 2qf0 s ALA 134 CO 0.03 0.51 1.21 0.00 0.00 0.00 0.00 175.76 177.51 2qf0 h THR 135 N 4.49 1.43 -2.74 0.00 1.03 -2.02 -3.45 112.91 111.65 2qf0 h THR 135 Ca -0.44 -2.72 -0.50 0.00 -0.01 0.00 0.00 66.41 62.75 2qf0 h THR 135 Cb 1.16 2.68 -0.01 0.00 -1.07 0.00 0.00 68.15 70.92 2qf0 h THR 135 CO 0.51 0.80 -0.28 -0.83 -0.01 0.00 0.00 175.52 175.72 2qf0 s GLY 136 N -4.53 1.52 0.74 2.99 0.00 -1.26 -5.06 107.32 101.72 2qf0 s GLY 136 Ca -0.05 -0.91 -0.15 0.00 0.00 0.00 0.00 44.72 43.60 2qf0 s GLY 136 CO 0.88 -0.87 1.12 0.61 0.00 0.00 0.00 173.10 174.85 2qf0 n GLY 137 N -1.25 -0.08 3.53 0.20 0.00 -1.26 -5.01 105.19 101.31 2qf0 n GLY 137 Ca -0.05 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 2qf0 n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qf0 s LEU 138 N -4.34 2.87 0.26 0.99 1.43 -1.26 -5.11 118.68 113.53 2qf0 s LEU 138 Ca 0.75 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 53.20 2qf0 s LEU 138 Cb -0.33 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.11 2qf0 s LEU 138 CO 0.49 0.23 0.96 -2.16 0.23 0.00 0.00 176.35 176.10 2qf0 s PRO 139 N -1.73 4.77 0.17 1.29 0.04 -1.26 -4.87 135.00 133.42 2qf0 s PRO 139 Ca 0.17 1.50 0.11 0.00 0.04 0.00 0.00 61.00 62.83 2qf0 s PRO 139 Cb -0.11 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2qf0 s PRO 139 CO 0.09 0.43 -0.24 0.95 0.04 0.00 0.00 177.00 178.26 2qf0 s THR 140 N -1.26 2.36 0.07 1.26 -4.23 -1.26 -4.60 115.64 107.97 2qf0 s THR 140 Ca 0.43 -1.94 -0.30 0.00 -1.18 0.00 0.00 61.69 58.70 2qf0 s THR 140 Cb -0.25 -2.11 -0.06 0.00 1.34 0.00 0.00 72.50 71.42 2qf0 s THR 140 CO 0.32 -0.06 1.16 -0.51 -0.54 0.00 0.00 174.62 174.99 2qf0 s ILE 141 N -1.50 4.10 0.10 2.99 1.10 -0.88 -4.74 121.20 122.38 2qf0 s ILE 141 Ca 0.19 1.55 -0.31 0.00 -0.51 0.00 0.00 60.65 61.57 2qf0 s ILE 141 Cb -0.09 -3.99 -0.10 0.00 0.15 0.00 0.00 42.46 38.44 2qf0 s ILE 141 CO 0.09 0.14 1.75 -2.84 -2.11 0.00 0.00 174.94 171.97 2qf0 s PRO 142 N 0.83 4.16 0.03 3.50 0.02 -1.26 -4.92 135.00 137.36 2qf0 s PRO 142 Ca 0.56 2.48 0.08 0.00 0.02 0.00 0.00 61.00 64.15 2qf0 s PRO 142 Cb -0.29 -3.57 -0.03 0.00 0.02 0.00 0.00 34.50 30.64 2qf0 s PRO 142 CO 0.30 -0.79 -0.24 0.42 -0.33 0.00 0.00 177.00 176.36 2qf0 s ILE 143 N 2.61 1.93 -0.40 2.83 1.01 -1.26 -1.18 121.20 126.74 2qf0 s ILE 143 Ca 0.78 -1.24 0.02 0.00 0.00 0.00 0.00 60.65 60.20 2qf0 s ILE 143 Cb -0.43 -1.65 0.15 0.00 0.01 0.00 0.00 42.46 40.54 2qf0 s ILE 143 CO 0.34 0.36 0.26 0.21 0.00 0.00 0.00 174.94 176.11 2qf0 s ASN 144 N -1.06 2.75 0.58 3.58 3.84 -1.26 -4.97 114.94 118.40 2qf0 s ASN 144 Ca 0.10 -2.58 0.23 0.00 0.21 0.00 0.00 52.86 50.82 2qf0 s ASN 144 Cb -0.09 -0.58 1.25 0.00 -0.55 0.00 0.00 41.25 41.27 2qf0 s ASN 144 CO 0.01 -0.25 1.68 0.00 -2.79 0.00 0.00 177.10 175.75 2qf0 h ALA 145 N 6.52 1.37 0.00 1.71 0.00 -1.98 -2.00 119.26 124.88 2qf0 h ALA 145 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 2qf0 h ALA 145 Cb 0.94 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2qf0 h ALA 145 CO 0.35 -0.37 -1.67 0.54 0.00 0.00 0.00 179.25 178.11 2qf0 n ARG 146 N -2.65 0.64 -1.84 0.00 1.74 -1.26 -4.94 116.66 108.35 2qf0 n ARG 146 Ca -0.02 0.17 -0.41 0.00 -0.77 0.00 0.00 57.85 56.82 2qf0 n ARG 146 Cb 0.43 -1.74 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 2qf0 n ARG 146 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2qf0 s ARG 147 N -2.84 4.15 -0.19 5.56 3.52 -0.75 -5.00 118.95 123.39 2qf0 s ARG 147 Ca -0.05 2.52 -0.02 0.00 -0.13 0.00 0.00 55.73 58.06 2qf0 s ARG 147 Cb 0.09 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.47 2qf0 s ARG 147 CO 0.82 -0.52 -0.09 0.08 -0.81 0.00 0.00 175.30 174.79 2qf0 s VAL 148 N -0.80 3.08 0.20 7.11 1.01 -1.26 -5.03 120.40 124.72 2qf0 s VAL 148 Ca 0.55 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 2qf0 s VAL 148 Cb -0.46 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 2qf0 s VAL 148 CO 0.57 0.47 1.43 -2.16 0.00 0.00 0.00 175.10 175.42 2qf0 s PRO 149 N 1.11 4.29 0.11 2.72 0.04 -1.26 -5.02 135.00 136.99 2qf0 s PRO 149 Ca 0.01 2.23 0.10 0.00 0.04 0.00 0.00 61.00 63.38 2qf0 s PRO 149 Cb -0.14 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 2qf0 s PRO 149 CO -0.02 -0.43 -0.25 -1.01 0.04 0.00 0.00 177.00 175.33 2qf0 s HIS 150 N 0.41 2.18 0.08 0.56 3.76 -1.26 -5.09 115.29 115.92 2qf0 s HIS 150 Ca 0.62 -0.39 -0.31 0.00 -0.15 0.00 0.00 55.06 54.83 2qf0 s HIS 150 Cb -0.40 -1.20 -0.09 0.00 1.11 0.00 0.00 32.58 32.00 2qf0 s HIS 150 CO 0.38 0.28 1.68 0.42 -0.85 0.00 0.00 174.74 176.65 2qf0 s ILE 151 N -1.05 2.97 0.00 0.60 1.01 -1.26 -1.80 121.20 121.66 2qf0 s ILE 151 Ca 0.12 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.19 2qf0 s ILE 151 Cb -0.10 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.10 2qf0 s ILE 151 CO 0.05 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2qf0 n GLY 152 N 4.03 0.47 3.77 6.18 0.00 -0.41 -4.99 105.19 114.23 2qf0 n GLY 152 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2qf0 n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qf0 s ASP 153 N -2.03 6.89 0.06 1.61 1.01 -0.75 -4.76 116.67 118.70 2qf0 s ASP 153 Ca 0.00 2.56 -0.30 0.00 0.71 0.00 0.00 52.55 55.51 2qf0 s ASP 153 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 2qf0 s ASP 153 CO 0.00 -0.44 1.15 -0.69 0.21 0.00 0.00 175.17 175.40 2qf0 s VAL 154 N -1.16 4.18 0.14 -1.27 1.01 -1.26 -1.47 120.40 120.57 2qf0 s VAL 154 Ca 0.48 1.59 0.06 0.00 0.00 0.00 0.00 61.98 64.12 2qf0 s VAL 154 Cb -0.37 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 2qf0 s VAL 154 CO 0.49 0.14 -0.15 0.68 0.00 0.00 0.00 175.10 176.26 2qf0 s VAL 155 N 0.92 1.45 -0.09 2.92 -7.23 -0.08 -3.22 120.40 115.07 2qf0 s VAL 155 Ca 0.56 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 58.94 2qf0 s VAL 155 Cb -0.28 -1.66 0.01 0.00 0.56 0.00 0.00 36.38 35.01 2qf0 s VAL 155 CO 0.30 -0.44 -0.18 -0.76 -0.31 0.00 0.00 175.10 173.70 2qf0 s LEU 156 N -2.63 1.87 -0.12 1.32 1.43 0.13 -0.83 118.68 119.85 2qf0 s LEU 156 Ca 0.12 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.65 2qf0 s LEU 156 Cb -0.04 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 2qf0 s LEU 156 CO 0.04 0.09 0.30 0.00 0.23 0.00 0.00 176.35 177.01 2qf0 s ALA 157 N 0.56 3.65 -0.14 4.21 0.00 0.12 -1.51 121.76 128.64 2qf0 s ALA 157 Ca -0.15 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2qf0 s ALA 157 Cb -0.17 -2.35 0.03 0.00 0.00 0.00 0.00 23.12 20.63 2qf0 s ALA 157 CO 0.05 0.24 -0.11 0.42 0.00 0.00 0.00 175.76 176.36 2qf0 s ILE 158 N -0.05 1.39 0.00 0.00 1.01 0.90 -1.37 121.20 123.07 2qf0 s ILE 158 Ca 0.18 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2qf0 s ILE 158 Cb -0.14 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.97 2qf0 s ILE 158 CO 0.06 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2qf0 n GLY 159 N 4.82 1.83 2.72 6.18 0.00 -0.88 -1.80 105.19 118.06 2qf0 n GLY 159 Ca -0.15 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 2qf0 n GLY 159 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qf0 n ASN 160 N -0.55 2.74 -4.74 1.61 5.15 -1.22 0.91 115.26 119.18 2qf0 n ASN 160 Ca 0.00 -3.16 -0.41 0.00 -0.60 0.00 0.00 54.58 50.40 2qf0 n ASN 160 Cb 0.00 -0.72 -0.03 0.00 -0.53 0.00 0.00 39.78 38.51 2qf0 n ASN 160 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2qf0 s PRO 161 N -1.53 4.28 -0.33 1.20 0.02 -1.26 -3.06 135.00 134.32 2qf0 s PRO 161 Ca 0.29 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.58 2qf0 s PRO 161 Cb 0.02 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.40 2qf0 s PRO 161 CO -0.14 -0.43 0.00 0.66 -0.33 0.00 0.00 177.00 176.77 2qf0 n TYR 162 N 2.68 -1.72 -2.89 6.54 4.02 -0.29 -1.43 117.16 124.08 2qf0 n TYR 162 Ca 0.08 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.79 2qf0 n TYR 162 Cb 0.40 -1.52 0.00 0.00 -0.02 0.00 0.00 39.34 38.21 2qf0 n TYR 162 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2qf0 n ASN 163 N -1.36 -4.20 0.08 7.72 5.15 -1.17 -4.83 115.26 116.65 2qf0 n ASN 163 Ca -0.04 -0.11 0.13 0.00 -0.60 0.00 0.00 54.58 53.96 2qf0 n ASN 163 Cb 0.49 -3.50 0.39 0.00 -0.53 0.00 0.00 39.78 36.64 2qf0 n ASN 163 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2qf0 n LEU 164 N -3.35 0.66 0.00 1.20 4.77 -0.51 -5.01 117.00 114.75 2qf0 n LEU 164 Ca -0.09 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2qf0 n LEU 164 Cb 0.59 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2qf0 n LEU 164 CO 0.35 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2qf0 n GLY 165 N 1.35 3.18 3.63 -0.72 0.00 -1.26 -5.03 105.19 106.34 2qf0 n GLY 165 Ca 0.05 -1.85 -0.59 0.00 0.00 0.00 0.00 46.02 43.63 2qf0 n GLY 165 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2qf0 n GLN 166 N -0.61 0.51 -4.95 1.61 7.27 -1.26 -4.50 117.38 115.45 2qf0 n GLN 166 Ca 0.00 0.19 -0.28 0.00 0.07 0.00 0.00 57.00 56.98 2qf0 n GLN 166 Cb 0.00 -1.76 -0.15 0.00 2.41 0.00 0.00 30.24 30.74 2qf0 n GLN 166 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2qf0 s THR 167 N 1.60 1.74 -0.19 1.69 2.01 0.26 -4.97 115.64 117.78 2qf0 s THR 167 Ca 0.94 -1.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 2qf0 s THR 167 Cb -1.21 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 69.83 2qf0 s THR 167 CO 0.63 0.41 -0.11 -0.63 -0.69 0.00 0.00 174.62 174.22 2qf0 s ILE 168 N -0.61 2.87 0.15 1.82 -1.09 -1.26 -2.08 121.20 121.01 2qf0 s ILE 168 Ca 0.08 -0.67 0.11 0.00 -2.23 0.00 0.00 60.65 57.94 2qf0 s ILE 168 Cb -0.09 -2.26 -0.04 0.00 -1.58 0.00 0.00 42.46 38.49 2qf0 s ILE 168 CO 0.00 0.48 -0.25 0.42 -1.23 0.00 0.00 174.94 174.36 2qf0 s THR 169 N 1.22 2.22 0.10 2.92 -4.23 -0.47 -4.94 115.64 112.46 2qf0 s THR 169 Ca 0.02 -1.85 0.10 0.00 -1.18 0.00 0.00 61.69 58.78 2qf0 s THR 169 Cb -0.14 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 2qf0 s THR 169 CO -0.05 -0.02 -0.24 -1.58 -0.54 0.00 0.00 174.62 172.19 2qf0 s GLN 170 N -2.32 1.65 0.00 3.99 -0.44 -1.26 0.15 119.66 121.43 2qf0 s GLN 170 Ca 0.16 -1.22 0.00 0.00 -2.50 0.00 0.00 55.36 51.80 2qf0 s GLN 170 Cb -0.09 -1.99 0.00 0.00 -1.64 0.00 0.00 33.01 29.29 2qf0 s GLN 170 CO 0.07 0.48 0.00 0.41 0.50 0.00 0.00 175.29 176.76 2qf0 n GLY 171 N 1.19 2.79 3.32 2.59 0.00 -0.01 -4.45 105.19 110.62 2qf0 n GLY 171 Ca -0.17 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 2qf0 n GLY 171 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qf0 s ILE 172 N -0.68 0.06 -0.19 -0.61 -4.36 -1.26 -0.91 121.20 113.25 2qf0 s ILE 172 Ca 0.00 -1.54 -0.27 0.00 -0.26 0.00 0.00 60.65 58.58 2qf0 s ILE 172 Cb 0.00 -1.98 -0.00 0.00 1.25 0.00 0.00 42.46 41.72 2qf0 s ILE 172 CO 0.00 -0.27 0.92 -0.63 0.24 0.00 0.00 174.94 175.20 2qf0 s ILE 173 N -4.01 4.80 -0.22 8.37 1.01 -0.54 -2.63 121.20 127.98 2qf0 s ILE 173 Ca 0.21 1.80 0.22 0.00 0.00 0.00 0.00 60.65 62.88 2qf0 s ILE 173 Cb 0.04 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 2qf0 s ILE 173 CO 0.02 -0.06 1.00 -1.20 0.00 0.00 0.00 174.94 174.71 2qf0 n SER 174 N 5.68 0.79 -3.61 3.58 7.64 0.37 -1.29 113.62 126.79 2qf0 n SER 174 Ca 0.08 0.31 -0.00 0.00 1.01 0.00 0.00 58.87 60.26 2qf0 n SER 174 Cb 0.48 0.55 -0.01 0.00 -1.01 0.00 0.00 64.21 64.21 2qf0 n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qf0 s ALA 175 N -3.37 -2.24 0.28 -0.43 0.00 -1.12 -4.94 121.76 109.94 2qf0 s ALA 175 Ca -0.01 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.19 2qf0 s ALA 175 Cb 0.10 0.07 -0.06 0.00 0.00 0.00 0.00 23.12 23.23 2qf0 s ALA 175 CO 0.80 -0.84 0.07 0.95 0.00 0.00 0.00 175.76 176.74 2qf0 s THR 176 N -2.28 0.86 -1.43 0.00 -4.23 -1.26 -0.63 115.64 106.68 2qf0 s THR 176 Ca 0.13 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.53 2qf0 s THR 176 Cb 0.03 -2.68 0.04 0.00 1.34 0.00 0.00 72.50 71.23 2qf0 s THR 176 CO -0.04 -0.03 1.04 0.61 -0.54 0.00 0.00 174.62 175.66 2qf0 n GLY 177 N -0.55 -0.49 3.96 3.99 0.00 -1.08 -4.94 105.19 106.07 2qf0 n GLY 177 Ca -0.01 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 2qf0 n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qf0 s ARG 178 N -6.37 3.43 -0.11 1.61 1.81 -0.50 -4.80 118.95 114.03 2qf0 s ARG 178 Ca 0.54 -0.64 -0.04 0.00 -1.72 0.00 0.00 55.73 53.86 2qf0 s ARG 178 Cb -0.25 -2.81 -0.04 0.00 -0.45 0.00 0.00 34.95 31.40 2qf0 s ARG 178 CO 0.78 0.31 0.07 0.42 -0.68 0.00 0.00 175.30 176.21 2qf0 s ILE 179 N -2.10 4.88 0.00 1.52 1.09 -1.26 -0.30 121.20 125.04 2qf0 s ILE 179 Ca 0.37 -0.03 0.00 0.00 -1.10 0.00 0.00 60.65 59.89 2qf0 s ILE 179 Cb -0.09 -3.10 0.00 0.00 -1.06 0.00 0.00 42.46 38.21 2qf0 s ILE 179 CO 0.31 0.61 0.00 0.00 -0.10 0.00 0.00 174.94 175.76 2qf0 n GLN 187 N 2.13 0.00 -3.17 2.79 1.13 -1.26 -4.88 117.38 114.11 2qf0 n GLN 187 Ca -0.19 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.65 2qf0 n GLN 187 Cb 0.54 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.84 2qf0 n GLN 187 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2qf0 n ASN 188 N -2.29 1.67 -4.84 1.08 5.15 -1.21 -5.00 115.26 109.82 2qf0 n ASN 188 Ca 0.00 -3.10 -0.32 0.00 -0.60 0.00 0.00 54.58 50.56 2qf0 n ASN 188 Cb 0.00 -0.62 -0.04 0.00 -0.53 0.00 0.00 39.78 38.59 2qf0 n ASN 188 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2qf0 s PHE 189 N -2.29 3.43 0.05 1.20 0.40 0.59 -4.33 117.98 117.03 2qf0 s PHE 189 Ca 0.40 1.45 -0.11 0.00 -0.60 0.00 0.00 56.93 58.07 2qf0 s PHE 189 Cb 0.27 -2.77 -0.06 0.00 0.51 0.00 0.00 43.02 40.97 2qf0 s PHE 189 CO -0.09 -0.30 0.39 -0.51 0.70 0.00 0.00 175.22 175.40 2qf0 s LEU 190 N -3.91 4.38 -0.11 -0.37 1.43 -0.25 -1.42 118.68 118.44 2qf0 s LEU 190 Ca 0.59 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 2qf0 s LEU 190 Cb -0.10 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.27 2qf0 s LEU 190 CO 0.29 0.22 -0.11 -1.58 0.23 0.00 0.00 176.35 175.40 2qf0 s GLN 191 N -1.66 3.15 0.13 1.70 0.74 0.20 -1.61 119.66 122.32 2qf0 s GLN 191 Ca 0.30 -0.65 0.03 0.00 0.05 0.00 0.00 55.36 55.09 2qf0 s GLN 191 Cb -0.14 -2.61 -0.04 0.00 1.10 0.00 0.00 33.01 31.31 2qf0 s GLN 191 CO 0.16 0.36 -0.09 -0.08 -0.55 0.00 0.00 175.29 175.10 2qf0 s THR 192 N -0.03 0.98 -0.20 -0.34 -1.32 -0.45 0.14 115.64 114.41 2qf0 s THR 192 Ca -0.02 -2.00 0.15 0.00 -1.21 0.00 0.00 61.69 58.61 2qf0 s THR 192 Cb -0.14 -1.77 0.52 0.00 -1.51 0.00 0.00 72.50 69.61 2qf0 s THR 192 CO 0.04 -0.79 1.43 -0.90 -2.21 0.00 0.00 174.62 172.19 2qf0 n ASP 193 N -0.11 3.59 -4.66 8.08 5.75 -1.08 -1.12 116.55 127.00 2qf0 n ASP 193 Ca -0.11 -3.17 -0.42 0.00 -0.01 0.00 0.00 54.79 51.08 2qf0 n ASP 193 Cb 0.61 -0.56 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 2qf0 n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qf0 s ALA 194 N -2.92 3.64 -0.36 2.12 0.00 -1.26 -4.66 121.76 118.32 2qf0 s ALA 194 Ca 0.43 0.09 -0.41 0.00 0.00 0.00 0.00 51.96 52.07 2qf0 s ALA 194 Cb 0.35 -3.43 -0.16 0.00 0.00 0.00 0.00 23.12 19.88 2qf0 s ALA 194 CO 0.07 -0.94 1.86 0.43 0.00 0.00 0.00 175.76 177.19 2qf0 n SER 195 N 6.01 1.90 -4.36 0.00 7.64 -1.26 -4.81 113.62 118.74 2qf0 n SER 195 Ca 0.09 0.92 -0.32 0.00 1.01 0.00 0.00 58.87 60.56 2qf0 n SER 195 Cb 0.47 -1.08 -0.15 0.00 -1.01 0.00 0.00 64.21 62.44 2qf0 n SER 195 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2qf0 s ILE 196 N 4.52 2.68 0.30 0.44 -1.09 -1.26 -4.78 121.20 122.01 2qf0 s ILE 196 Ca 1.05 -0.83 0.02 0.00 -2.23 0.00 0.00 60.65 58.66 2qf0 s ILE 196 Cb -1.17 -2.05 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 2qf0 s ILE 196 CO 0.66 0.56 0.12 0.20 -1.23 0.00 0.00 174.94 175.24 2qf0 s ASN 197 N -0.11 1.60 0.18 3.58 0.01 -1.26 -4.81 114.94 114.12 2qf0 s ASN 197 Ca -0.03 -1.47 -0.33 0.00 -0.71 0.00 0.00 52.86 50.31 2qf0 s ASN 197 Cb -0.14 0.25 -0.14 0.00 0.41 0.00 0.00 41.25 41.63 2qf0 s ASN 197 CO 0.04 -0.79 1.55 1.57 -1.51 0.00 0.00 177.10 177.95 2qf0 n HIS 198 N -0.58 2.27 0.00 2.20 -0.00 -1.26 -0.70 115.22 117.16 2qf0 n HIS 198 Ca -0.00 0.30 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 2qf0 n HIS 198 Cb 0.66 -2.53 0.00 0.00 -0.00 0.00 0.00 29.99 28.12 2qf0 n HIS 198 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2qf0 n GLY 199 N 3.16 2.83 0.20 1.57 0.00 -1.26 -1.13 105.19 110.56 2qf0 n GLY 199 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2qf0 n GLY 199 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2qf0 h ASN 200 N 0.00 0.00 -3.76 1.61 4.21 -1.10 -3.16 115.58 113.38 2qf0 h ASN 200 Ca 0.00 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.97 2qf0 h ASN 200 Cb 0.00 0.00 0.10 0.00 -1.12 0.00 0.00 38.32 37.30 2qf0 h ASN 200 CO 0.00 0.00 0.80 -1.20 -1.29 0.00 0.00 177.43 175.74 2qf0 n SER 201 N -2.95 3.82 0.00 5.81 7.64 -1.26 -1.41 113.62 125.27 2qf0 n SER 201 Ca 0.04 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.13 2qf0 n SER 201 Cb 0.51 -1.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 2qf0 n SER 201 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qf0 n GLY 202 N 0.88 2.48 3.69 0.23 0.00 0.04 -0.13 105.19 112.37 2qf0 n GLY 202 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2qf0 n GLY 202 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qf0 s GLY 203 N -2.02 1.63 -0.01 -0.02 0.00 -0.50 -3.13 107.32 103.27 2qf0 s GLY 203 Ca 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 2qf0 s GLY 203 CO 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 173.10 173.06 2qf0 s ALA 204 N -3.25 3.71 -0.23 3.20 0.00 -0.74 -1.63 121.76 122.82 2qf0 s ALA 204 Ca 0.71 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2qf0 s ALA 204 Cb -0.08 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.37 2qf0 s ALA 204 CO 0.55 0.70 -0.12 -1.17 0.00 0.00 0.00 175.76 175.72 2qf0 s LEU 205 N -1.73 2.88 0.27 0.00 2.96 -0.38 -0.07 118.68 122.61 2qf0 s LEU 205 Ca 0.23 -0.92 0.07 0.00 -0.22 0.00 0.00 54.13 53.29 2qf0 s LEU 205 Cb -0.12 -1.57 -0.06 0.00 0.50 0.00 0.00 46.19 44.94 2qf0 s LEU 205 CO 0.14 -0.10 -0.08 0.68 -1.32 0.00 0.00 176.35 175.68 2qf0 s VAL 206 N 1.26 1.71 0.72 1.68 -7.23 -0.57 -2.12 120.40 115.84 2qf0 s VAL 206 Ca -0.00 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 2qf0 s VAL 206 Cb -0.16 -2.39 0.13 0.00 0.56 0.00 0.00 36.38 34.52 2qf0 s VAL 206 CO -0.08 -0.35 0.99 0.54 -0.31 0.00 0.00 175.10 175.90 2qf0 s ASN 207 N -3.43 4.34 0.00 4.85 2.20 -0.58 -0.69 114.94 121.62 2qf0 s ASN 207 Ca 0.29 -0.44 0.00 0.00 -0.94 0.00 0.00 52.86 51.77 2qf0 s ASN 207 Cb 0.03 0.08 0.00 0.00 -2.00 0.00 0.00 41.25 39.36 2qf0 s ASN 207 CO 0.11 -1.87 0.79 -1.54 -2.94 0.00 0.00 177.10 171.64 2qf0 n SER 208 N -2.82 0.00 -0.01 3.54 3.41 -1.20 -0.94 113.62 115.61 2qf0 n SER 208 Ca 0.16 0.30 0.10 0.00 -0.26 0.00 0.00 58.87 59.17 2qf0 n SER 208 Cb 0.61 -0.30 -0.16 0.00 -0.26 0.00 0.00 64.21 64.10 2qf0 n SER 208 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qf0 n LEU 209 N -1.29 0.08 0.00 1.04 4.77 -1.26 -4.22 117.00 116.12 2qf0 n LEU 209 Ca 0.00 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2qf0 n LEU 209 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2qf0 n LEU 209 CO 0.00 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 2qf0 n GLY 210 N 1.33 0.76 3.77 -0.72 0.00 -0.11 -4.62 105.19 105.60 2qf0 n GLY 210 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2qf0 n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qf0 s GLU 211 N -0.64 4.41 0.86 1.61 2.02 -1.26 -4.05 118.70 121.64 2qf0 s GLU 211 Ca 0.00 1.53 -0.12 0.00 0.02 0.00 0.00 54.97 56.41 2qf0 s GLU 211 Cb 0.00 -2.79 0.10 0.00 0.10 0.00 0.00 34.13 31.54 2qf0 s GLU 211 CO 0.00 0.07 1.10 -1.17 0.02 0.00 0.00 175.26 175.29 2qf0 s LEU 212 N -2.15 2.34 0.00 1.80 2.96 -0.32 -1.53 118.68 121.78 2qf0 s LEU 212 Ca 0.52 1.27 0.02 0.00 -0.22 0.00 0.00 54.13 55.72 2qf0 s LEU 212 Cb -0.24 -3.76 0.08 0.00 0.50 0.00 0.00 46.19 42.77 2qf0 s LEU 212 CO 0.30 -2.32 0.58 0.61 -1.32 0.00 0.00 176.35 174.20 2qf0 n GLY 214 N -1.83 1.07 3.30 7.98 0.00 -0.90 -4.77 105.19 110.05 2qf0 n GLY 214 Ca 0.07 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 2qf0 n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qf0 s ILE 215 N -1.63 3.52 0.13 -0.61 -1.09 0.43 -1.25 121.20 120.71 2qf0 s ILE 215 Ca 0.40 -0.70 -0.31 0.00 -2.23 0.00 0.00 60.65 57.81 2qf0 s ILE 215 Cb -0.03 -2.74 -0.10 0.00 -1.58 0.00 0.00 42.46 38.01 2qf0 s ILE 215 CO 0.26 0.22 1.73 0.20 -1.23 0.00 0.00 174.94 176.12 2qf0 s ASN 216 N 1.45 6.48 0.00 3.58 0.01 -0.65 -0.37 114.94 125.45 2qf0 s ASN 216 Ca 0.03 2.69 0.00 0.00 -0.71 0.00 0.00 52.86 54.87 2qf0 s ASN 216 Cb -0.16 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.92 2qf0 s ASN 216 CO -0.01 -0.94 0.00 0.41 -1.51 0.00 0.00 177.10 175.05 2qf0 n THR 217 N 4.49 0.00 -4.20 1.60 -1.04 -0.49 -0.78 114.28 113.85 2qf0 n THR 217 Ca 0.16 0.21 -0.12 0.00 -2.04 0.00 0.00 64.05 62.26 2qf0 n THR 217 Cb 0.38 -1.14 -0.10 0.00 -1.82 0.00 0.00 70.33 67.65 2qf0 n THR 217 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2qf0 s LEU 218 N -4.21 1.80 -0.24 -4.42 2.01 -1.24 -4.33 118.68 108.06 2qf0 s LEU 218 Ca 0.00 -1.24 -0.07 0.00 0.01 0.00 0.00 54.13 52.84 2qf0 s LEU 218 Cb 0.00 0.16 -0.03 0.00 0.01 0.00 0.00 46.19 46.34 2qf0 s LEU 218 CO 0.00 -0.69 0.05 -0.55 1.01 0.00 0.00 176.35 176.17 2qf0 s SER 219 N -3.13 5.01 0.08 2.29 0.15 -1.26 -1.12 113.70 115.72 2qf0 s SER 219 Ca 0.27 -0.22 -0.31 0.00 0.70 0.00 0.00 55.95 56.39 2qf0 s SER 219 Cb 0.07 -1.89 -0.10 0.00 -1.71 0.00 0.00 66.02 62.39 2qf0 s SER 219 CO 0.05 -0.01 1.91 0.33 1.20 0.00 0.00 173.24 176.71 2qf0 n PHE 220 N 4.78 2.58 -4.05 3.44 -0.00 0.13 -4.96 117.46 119.37 2qf0 n PHE 220 Ca -0.17 -0.26 -0.03 0.00 -0.00 0.00 0.00 57.45 56.99 2qf0 n PHE 220 Cb 0.51 -2.77 -0.01 0.00 -0.00 0.00 0.00 39.48 37.21 2qf0 n PHE 220 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2qf0 n ASP 221 N 6.53 0.13 -1.36 -2.13 8.00 -1.26 -4.65 116.55 121.80 2qf0 n ASP 221 Ca 0.19 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.33 2qf0 n ASP 221 Cb 0.39 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 2qf0 n ASP 221 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qf0 n LYS 222 N -0.11 0.00 0.00 -1.24 5.02 -1.26 -4.94 118.16 115.63 2qf0 n LYS 222 Ca 0.01 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 2qf0 n LYS 222 Cb 0.10 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 2qf0 n LYS 222 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2qf0 n SER 223 N 0.00 -0.56 -4.56 4.39 7.64 -1.26 -4.90 113.62 114.37 2qf0 n SER 223 Ca 0.00 -0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.41 2qf0 n SER 223 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2qf0 n SER 223 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2qf0 s THR 228 N -0.33 4.94 0.31 0.44 2.01 -1.26 -5.29 115.64 116.47 2qf0 s THR 228 Ca 0.00 0.40 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 2qf0 s THR 228 Cb 0.00 -4.04 -0.11 0.00 0.01 0.00 0.00 72.50 68.35 2qf0 s THR 228 CO 0.00 -0.31 1.58 -2.65 -0.69 0.00 0.00 174.62 172.55 2qf0 n PRO 229 N 5.93 2.72 -5.08 4.92 -0.02 -1.26 -5.01 135.00 137.19 2qf0 n PRO 229 Ca -0.03 0.96 -0.31 0.00 -2.02 0.00 0.00 63.50 62.10 2qf0 n PRO 229 Cb 0.49 -2.74 -0.17 0.00 -0.02 0.00 0.00 33.50 31.06 2qf0 n PRO 229 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2qf0 s GLU 230 N -0.86 2.85 -1.36 -0.52 2.12 -1.26 -4.81 118.70 114.85 2qf0 s GLU 230 Ca 0.62 -0.81 -0.08 0.00 0.36 0.00 0.00 54.97 55.06 2qf0 s GLU 230 Cb -0.49 -2.18 0.02 0.00 0.26 0.00 0.00 34.13 31.75 2qf0 s GLU 230 CO 0.52 0.14 1.06 0.41 -0.54 0.00 0.00 175.26 176.85 2qf0 n GLY 231 N 3.61 -0.48 2.79 -1.50 0.00 -1.26 -4.99 105.19 103.36 2qf0 n GLY 231 Ca -0.20 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2qf0 n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qf0 s ILE 232 N -3.36 1.41 0.27 -0.61 1.01 -1.26 -3.94 121.20 114.72 2qf0 s ILE 232 Ca 0.44 -2.04 0.10 0.00 0.00 0.00 0.00 60.65 59.15 2qf0 s ILE 232 Cb -0.20 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 2qf0 s ILE 232 CO 0.76 -0.74 -0.17 -0.83 0.00 0.00 0.00 174.94 173.97 2qf0 s GLY 233 N 0.98 1.83 0.15 6.18 0.00 -0.28 -0.69 107.32 115.49 2qf0 s GLY 233 Ca 0.13 -1.86 0.08 0.00 0.00 0.00 0.00 44.72 43.06 2qf0 s GLY 233 CO -0.13 -1.92 -0.18 -1.36 0.00 0.00 0.00 173.10 169.51 2qf0 s PHE 234 N -2.65 1.73 -0.11 1.90 0.40 -0.27 -1.35 117.98 117.63 2qf0 s PHE 234 Ca 0.29 -0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 56.03 2qf0 s PHE 234 Cb -0.03 -0.88 0.03 0.00 0.51 0.00 0.00 43.02 42.65 2qf0 s PHE 234 CO 0.13 0.28 0.30 0.00 0.70 0.00 0.00 175.22 176.63 2qf0 s ALA 235 N -1.94 -0.74 -0.04 5.36 0.00 -0.63 -1.40 121.76 122.37 2qf0 s ALA 235 Ca 0.13 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 2qf0 s ALA 235 Cb -0.06 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 2qf0 s ALA 235 CO 0.06 -0.15 1.27 0.42 0.00 0.00 0.00 175.76 177.35 2qf0 s ILE 236 N 0.05 4.06 0.34 0.00 -1.09 0.50 -1.08 121.20 123.99 2qf0 s ILE 236 Ca -0.01 1.41 -0.29 0.00 -2.23 0.00 0.00 60.65 59.53 2qf0 s ILE 236 Cb -0.02 -3.91 -0.11 0.00 -1.58 0.00 0.00 42.46 36.84 2qf0 s ILE 236 CO 0.01 -0.00 1.52 -0.81 -1.23 0.00 0.00 174.94 174.42 2qf0 n PRO 237 N 5.25 2.64 0.08 2.79 -0.04 -1.26 -0.43 135.00 144.04 2qf0 n PRO 237 Ca 0.12 0.93 0.19 0.00 -0.04 0.00 0.00 63.50 64.70 2qf0 n PRO 237 Cb 0.45 -2.67 0.74 0.00 -0.04 0.00 0.00 33.50 31.98 2qf0 n PRO 237 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2qf0 h PHE 238 N 3.67 0.00 -0.22 0.54 -5.15 -1.88 -2.01 116.94 111.88 2qf0 h PHE 238 Ca -0.49 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.11 2qf0 h PHE 238 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.41 2qf0 h PHE 238 CO 0.55 0.00 -0.57 1.96 -2.00 0.00 0.00 178.31 178.25 2qf0 h GLN 239 N 0.00 0.70 -0.11 6.09 4.20 -1.93 -1.22 115.11 122.84 2qf0 h GLN 239 Ca 0.19 -0.45 -0.14 0.00 0.06 0.00 0.00 58.65 58.32 2qf0 h GLN 239 Cb 0.90 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 2qf0 h GLN 239 CO -0.00 1.07 -0.53 1.25 -0.67 0.00 0.00 178.83 179.96 2qf0 h LEU 240 N 0.53 0.33 0.05 1.46 5.85 -1.75 -2.52 115.31 119.26 2qf0 h LEU 240 Ca 0.01 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 2qf0 h LEU 240 Cb 1.15 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2qf0 h LEU 240 CO 0.12 0.80 -0.02 0.00 -0.34 0.00 0.00 178.44 178.99 2qf0 h ALA 241 N 1.21 -0.07 -0.78 1.25 0.00 -1.27 -1.45 119.26 118.15 2qf0 h ALA 241 Ca 0.01 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2qf0 h ALA 241 Cb 1.01 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2qf0 h ALA 241 CO 0.08 -0.41 0.49 1.15 0.00 0.00 0.00 179.25 180.57 2qf0 h THR 242 N -0.33 1.11 0.37 0.00 2.02 -1.21 -2.70 112.91 112.17 2qf0 h THR 242 Ca -0.01 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 2qf0 h THR 242 Cb 0.30 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2qf0 h THR 242 CO 0.01 0.18 -0.26 0.50 0.37 0.00 0.00 175.52 176.32 2qf0 h LYS 243 N 0.96 -0.60 -1.98 6.66 3.64 -1.36 -1.98 116.57 121.92 2qf0 h LYS 243 Ca 0.31 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2qf0 h LYS 243 Cb 0.02 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2qf0 h LYS 243 CO -0.11 -0.40 0.00 -0.89 -2.27 0.00 0.00 179.45 175.78 2qf0 n ILE 244 N -5.39 0.02 0.00 2.00 2.08 -0.56 -2.71 119.36 114.81 2qf0 n ILE 244 Ca -0.10 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.21 2qf0 n ILE 244 Cb 0.29 -0.52 0.00 0.00 -0.75 0.00 0.00 39.64 38.67 2qf0 n ILE 244 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2qf0 n ASP 246 N 1.00 0.00 0.04 4.38 8.00 -0.74 -1.45 116.55 127.78 2qf0 n ASP 246 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 2qf0 n ASP 246 Cb 0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 2qf0 n ASP 246 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2qf0 h LYS 247 N 0.00 0.53 0.00 -1.24 1.57 -1.78 -1.12 116.57 114.53 2qf0 h LYS 247 Ca 0.00 -0.49 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 2qf0 h LYS 247 Cb 0.00 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2qf0 h LYS 247 CO 0.00 1.12 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.55 2qf0 h LEU 248 N 0.34 0.00 0.16 2.94 3.38 -1.46 -0.39 115.31 120.28 2qf0 h LEU 248 Ca -0.06 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.59 2qf0 h LEU 248 Cb 1.45 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.20 2qf0 h LEU 248 CO 0.15 0.38 -1.52 0.40 0.09 0.00 0.00 178.44 177.94 2qf0 h ILE 249 N 0.00 1.18 0.00 1.22 2.04 -1.82 -0.79 117.51 119.34 2qf0 h ILE 249 Ca -0.00 -2.77 -0.08 0.00 1.00 0.00 0.00 64.86 63.01 2qf0 h ILE 249 Cb 0.90 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.80 2qf0 h ILE 249 CO 0.05 0.84 -0.59 -0.09 0.00 0.00 0.00 178.15 178.36 2qf0 h ARG 250 N 0.09 0.00 0.00 2.37 2.43 -1.13 -3.39 114.38 114.74 2qf0 h ARG 250 Ca -0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2qf0 h ARG 250 Cb 2.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 2qf0 h ARG 250 CO 0.19 0.30 -0.09 -0.25 -1.51 0.00 0.00 179.97 178.60 2qf0 n ASP 251 N -3.08 0.47 0.00 -3.80 8.00 -0.16 -5.01 116.55 112.96 2qf0 n ASP 251 Ca 0.00 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.35 2qf0 n ASP 251 Cb 0.68 0.40 0.00 0.00 -0.02 0.00 0.00 41.12 42.19 2qf0 n ASP 251 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qf0 n GLY 252 N 0.54 2.32 3.73 0.44 0.00 -0.30 -4.93 105.19 106.98 2qf0 n GLY 252 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2qf0 n GLY 252 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qf0 s ARG 253 N -0.11 1.60 -0.33 1.61 0.52 -1.26 -4.44 118.95 116.54 2qf0 s ARG 253 Ca 0.00 -0.82 -0.14 0.00 -0.52 0.00 0.00 55.73 54.25 2qf0 s ARG 253 Cb 0.00 0.59 -0.02 0.00 0.52 0.00 0.00 34.95 36.04 2qf0 s ARG 253 CO 0.00 -0.73 0.30 0.08 0.02 0.00 0.00 175.30 174.97 2qf0 s VAL 254 N -3.83 5.23 -2.31 3.52 1.01 -1.26 -4.41 120.40 118.35 2qf0 s VAL 254 Ca 0.08 -0.03 0.30 0.00 0.00 0.00 0.00 61.98 62.33 2qf0 s VAL 254 Cb -0.04 -3.75 0.69 0.00 0.00 0.00 0.00 36.38 33.27 2qf0 s VAL 254 CO 0.01 -0.03 1.93 -0.38 0.00 0.00 0.00 175.10 176.64