#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q7r n GLN 3 N 0.00 -0.02 0.09 0.11 -0.06 -1.26 -0.87 117.38 115.37 2q7r n GLN 3 Ca 0.00 0.83 -0.03 0.00 -2.00 0.00 0.00 57.00 55.80 2q7r n GLN 3 Cb 0.00 -1.71 -0.02 0.00 -4.06 0.00 0.00 30.24 24.45 2q7r n GLN 3 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2q7r h GLU 4 N 0.00 -0.22 -0.60 3.69 4.22 -2.07 -3.07 114.58 116.53 2q7r h GLU 4 Ca 0.62 0.01 0.12 0.00 0.08 0.00 0.00 59.36 60.20 2q7r h GLU 4 Cb 2.16 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 31.36 2q7r h GLU 4 CO -0.23 -0.15 0.05 1.79 -2.18 0.00 0.00 179.01 178.29 2q7r h THR 5 N -0.24 0.55 -1.41 0.32 1.35 -1.45 0.11 112.91 112.14 2q7r h THR 5 Ca -0.02 -0.06 0.42 0.00 -0.55 0.00 0.00 66.41 66.20 2q7r h THR 5 Cb 0.17 0.37 -0.08 0.00 -1.73 0.00 0.00 68.15 66.88 2q7r h THR 5 CO 0.04 0.03 0.98 0.58 -0.25 0.00 0.00 175.52 176.89 2q7r h VAL 6 N 0.16 0.24 0.67 6.82 2.07 -1.49 -0.65 116.25 124.08 2q7r h VAL 6 Ca 0.32 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 2q7r h VAL 6 Cb 0.50 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2q7r h VAL 6 CO -0.48 0.01 -0.32 1.23 0.02 0.00 0.00 177.57 178.03 2q7r h GLY 7 N 0.08 -0.94 -1.56 2.17 0.00 -0.67 -1.37 103.07 100.78 2q7r h GLY 7 Ca 0.74 0.35 0.00 0.00 0.00 0.00 0.00 47.33 48.42 2q7r h GLY 7 CO -0.16 -0.34 0.00 0.70 0.00 0.00 0.00 176.54 176.74 2q7r n ASN 8 N -5.43 0.56 0.00 0.19 5.03 -0.25 -2.11 115.26 113.25 2q7r n ASN 8 Ca -0.13 -0.53 0.00 0.00 0.87 0.00 0.00 54.58 54.80 2q7r n ASN 8 Cb 0.38 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 39.01 2q7r n ASN 8 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2q7r n VAL 9 N 0.65 0.00 -0.33 2.41 0.24 -1.16 -4.85 118.33 115.28 2q7r n VAL 9 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.31 2q7r n VAL 9 Cb 0.10 0.04 0.07 0.00 -1.47 0.00 0.00 33.84 32.58 2q7r n VAL 9 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2q7r h VAL 10 N 0.00 0.07 -0.32 3.34 2.07 -0.69 0.28 116.25 121.00 2q7r h VAL 10 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2q7r h VAL 10 Cb 0.00 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 2q7r h VAL 10 CO 0.00 0.00 0.10 -0.07 0.02 0.00 0.00 177.57 177.62 2q7r h LEU 11 N -0.03 0.11 -0.35 2.57 -0.00 -1.88 0.68 115.31 116.41 2q7r h LEU 11 Ca 0.37 0.04 0.05 0.00 -0.00 0.00 0.00 57.88 58.34 2q7r h LEU 11 Cb 0.62 0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 41.27 2q7r h LEU 11 CO -0.92 0.10 0.06 -0.07 -0.00 0.00 0.00 178.44 177.61 2q7r h LEU 12 N 0.24 0.00 -0.08 1.67 3.38 -0.92 0.51 115.31 120.11 2q7r h LEU 12 Ca 0.14 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.20 2q7r h LEU 12 Cb 0.12 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2q7r h LEU 12 CO -0.15 0.04 -0.08 0.00 0.09 0.00 0.00 178.44 178.34 2q7r h ALA 13 N 1.26 -0.01 0.11 1.53 0.00 0.54 0.19 119.26 122.87 2q7r h ALA 13 Ca 0.17 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2q7r h ALA 13 Cb 0.19 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2q7r h ALA 13 CO -0.22 -0.54 -0.31 0.82 0.00 0.00 0.00 179.25 179.00 2q7r h ILE 14 N -0.10 0.00 -0.90 0.00 5.03 0.14 0.26 117.51 121.94 2q7r h ILE 14 Ca 0.06 0.00 0.18 0.00 -0.12 0.00 0.00 64.86 64.98 2q7r h ILE 14 Cb 0.18 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 33.86 2q7r h ILE 14 CO -0.14 0.00 0.47 1.62 -0.68 0.00 0.00 178.15 179.42 2q7r h VAL 15 N -0.46 0.63 -0.20 1.67 3.04 0.15 0.57 116.25 121.65 2q7r h VAL 15 Ca -0.01 -0.20 -0.01 0.00 -1.01 0.00 0.00 66.70 65.48 2q7r h VAL 15 Cb 0.45 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.73 2q7r h VAL 15 CO -0.14 0.11 0.10 0.74 -1.01 0.00 0.00 177.57 177.36 2q7r h THR 16 N 0.58 1.12 -0.91 3.17 2.02 -0.04 -0.66 112.91 118.19 2q7r h THR 16 Ca 0.53 -0.34 0.09 0.00 0.77 0.00 0.00 66.41 67.45 2q7r h THR 16 Cb 0.86 0.99 -0.07 0.00 -1.74 0.00 0.00 68.15 68.19 2q7r h THR 16 CO -0.42 0.12 0.56 -0.07 0.37 0.00 0.00 175.52 176.08 2q7r h LEU 17 N 0.20 0.86 0.35 2.58 -0.00 0.12 0.12 115.31 119.54 2q7r h LEU 17 Ca 0.07 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 2q7r h LEU 17 Cb 0.10 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.61 2q7r h LEU 17 CO -0.01 0.51 -0.23 0.40 -0.00 0.00 0.00 178.44 179.11 2q7r h ILE 18 N 0.97 0.00 -1.00 1.22 5.03 -0.40 -1.05 117.51 122.28 2q7r h ILE 18 Ca 0.42 0.00 0.30 0.00 -0.12 0.00 0.00 64.86 65.46 2q7r h ILE 18 Cb 0.30 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 33.95 2q7r h ILE 18 CO -0.22 0.00 0.57 0.77 -0.68 0.00 0.00 178.15 178.60 2q7r h SER 19 N -0.54 0.55 -0.94 1.72 4.64 -0.66 0.71 113.55 119.04 2q7r h SER 19 Ca -0.05 0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2q7r h SER 19 Cb 0.44 0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.59 2q7r h SER 19 CO 0.04 -0.07 0.56 1.62 -0.87 0.00 0.00 176.83 178.11 2q7r h VAL 20 N 0.39 1.26 0.18 0.95 3.04 -0.42 0.89 116.25 122.54 2q7r h VAL 20 Ca 0.71 -0.57 -0.01 0.00 -1.01 0.00 0.00 66.70 65.82 2q7r h VAL 20 Cb 1.55 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 2q7r h VAL 20 CO -0.57 0.27 -0.08 0.58 -1.01 0.00 0.00 177.57 176.76 2q7r h VAL 21 N 1.30 0.91 -0.79 1.51 2.07 0.17 -2.85 116.25 118.57 2q7r h VAL 21 Ca 0.34 -0.94 0.11 0.00 0.82 0.00 0.00 66.70 67.02 2q7r h VAL 21 Cb -0.05 1.44 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 2q7r h VAL 21 CO -0.06 0.20 0.42 0.06 0.02 0.00 0.00 177.57 178.20 2q7r h GLN 22 N -0.74 0.65 -1.00 1.57 3.07 -0.76 0.55 115.11 118.47 2q7r h GLN 22 Ca -0.02 -0.04 0.20 0.00 0.09 0.00 0.00 58.65 58.88 2q7r h GLN 22 Cb 0.51 -0.15 -0.11 0.00 0.08 0.00 0.00 27.48 27.81 2q7r h GLN 22 CO 0.04 0.43 0.61 -0.91 0.09 0.00 0.00 178.83 179.10 2q7r h ASN 23 N 0.67 0.73 -0.34 0.06 4.21 0.87 0.51 115.58 122.29 2q7r h ASN 23 Ca 0.40 0.10 -0.05 0.00 1.21 0.00 0.00 56.30 57.96 2q7r h ASN 23 Cb 0.44 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.60 2q7r h ASN 23 CO -0.29 0.24 0.03 1.23 -1.29 0.00 0.00 177.43 177.35 2q7r h GLY 24 N 0.70 0.63 0.52 2.83 0.00 -0.66 -2.44 103.07 104.65 2q7r h GLY 24 Ca 0.58 -0.44 0.06 0.00 0.00 0.00 0.00 47.33 47.53 2q7r h GLY 24 CO -0.38 0.41 0.09 -2.75 0.00 0.00 0.00 176.54 173.92 2q7r h PHE 25 N 0.40 0.16 -0.35 5.60 3.57 -0.49 0.92 116.94 126.76 2q7r h PHE 25 Ca 0.10 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.69 2q7r h PHE 25 Cb 0.41 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 2q7r h PHE 25 CO 0.03 0.03 -0.05 0.74 -2.23 0.00 0.00 178.31 176.82 2q7r h PHE 26 N 0.23 -0.12 0.00 0.41 -1.00 -0.98 0.18 116.94 115.65 2q7r h PHE 26 Ca 0.20 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.01 2q7r h PHE 26 Cb 0.23 0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.90 2q7r h PHE 26 CO -0.19 -0.12 0.00 0.00 -1.61 0.00 0.00 178.31 176.39 2q7r n ALA 27 N -2.58 2.34 -0.12 2.45 0.00 -0.70 -2.84 120.51 119.06 2q7r n ALA 27 Ca 0.01 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 2q7r n ALA 27 Cb 0.19 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.15 2q7r n ALA 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2q7r n HIS 28 N -1.04 0.20 0.31 0.00 -0.00 0.40 -3.56 115.22 111.53 2q7r n HIS 28 Ca 0.17 0.05 0.04 0.00 -0.00 0.00 0.00 57.72 57.98 2q7r n HIS 28 Cb 0.09 -1.02 0.19 0.00 -0.00 0.00 0.00 29.99 29.25 2q7r n HIS 28 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2q7r n LYS 29 N -3.63 0.00 -0.01 1.57 4.01 0.04 -0.70 118.16 119.44 2q7r n LYS 29 Ca -0.46 0.35 -0.13 0.00 -0.51 0.00 0.00 58.31 57.56 2q7r n LYS 29 Cb 0.95 -1.50 -0.14 0.00 -0.51 0.00 0.00 35.03 33.83 2q7r n LYS 29 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2q7r n VAL 30 N -1.50 1.67 0.03 -0.18 0.31 -1.15 -3.86 118.33 113.65 2q7r n VAL 30 Ca 0.02 -0.75 -0.04 0.00 -0.01 0.00 0.00 64.34 63.56 2q7r n VAL 30 Cb 0.10 -1.27 0.18 0.00 -0.91 0.00 0.00 33.84 31.94 2q7r n VAL 30 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2q7r h GLU 31 N 0.02 0.43 -0.63 5.55 4.57 -0.96 -2.91 114.58 120.65 2q7r h GLU 31 Ca -0.32 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 2q7r h GLU 31 Cb 2.02 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 30.57 2q7r h GLU 31 CO 0.08 0.73 0.34 0.45 -1.18 0.00 0.00 179.01 179.43 2q7r h HIS 32 N 0.37 0.88 -0.36 0.92 3.86 -1.55 -2.27 115.15 117.00 2q7r h HIS 32 Ca 0.04 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 2q7r h HIS 32 Cb 0.80 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 2q7r h HIS 32 CO 0.02 0.64 0.12 0.93 0.86 0.00 0.00 177.93 180.51 2q7r h GLU 33 N 0.87 0.56 0.00 2.45 3.07 -1.63 0.16 114.58 120.05 2q7r h GLU 33 Ca 0.22 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 2q7r h GLU 33 Cb 0.06 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 2q7r h GLU 33 CO -0.03 0.57 0.00 1.03 -1.40 0.00 0.00 179.01 179.18 2q7r h SER 34 N 0.43 0.00 0.00 1.42 0.87 -1.43 0.51 113.55 115.36 2q7r h SER 34 Ca 0.12 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2q7r h SER 34 Cb 0.24 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2q7r h SER 34 CO -0.00 0.00 -0.11 -0.09 -0.53 0.00 0.00 176.83 176.09 2q7r h ARG 35 N 0.00 0.00 -0.33 2.24 9.65 -0.87 -3.32 114.38 121.76 2q7r h ARG 35 Ca 0.00 0.00 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 2q7r h ARG 35 Cb 0.41 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 2q7r h ARG 35 CO 0.00 0.04 0.26 1.79 2.80 0.00 0.00 179.97 184.86 2q7r h THR 36 N -1.00 0.69 -0.38 0.20 1.35 -0.68 -3.17 112.91 109.93 2q7r h THR 36 Ca -0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.32 2q7r h THR 36 Cb 0.14 0.81 -0.02 0.00 -1.73 0.00 0.00 68.15 67.35 2q7r h THR 36 CO -0.00 0.00 1.87 0.00 -0.25 0.00 0.00 175.52 177.14 2q7r n GLN 37 N -4.21 2.06 -1.62 4.72 1.13 0.17 -4.88 117.38 114.75 2q7r n GLN 37 Ca 0.05 -2.50 -0.56 0.00 -1.94 0.00 0.00 57.00 52.05 2q7r n GLN 37 Cb 0.43 -3.42 -0.08 0.00 0.11 0.00 0.00 30.24 27.28 2q7r n GLN 37 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2q7r n ASN 38 N 10.39 2.20 0.00 1.08 2.85 -1.20 -4.76 115.26 125.83 2q7r n ASN 38 Ca 0.48 0.90 0.00 0.00 -0.11 0.00 0.00 54.58 55.85 2q7r n ASN 38 Cb 0.44 -1.15 0.00 0.00 1.24 0.00 0.00 39.78 40.31 2q7r n ASN 38 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2q7r n GLY 39 N 5.00 -1.26 0.00 8.20 0.00 -1.26 -5.14 105.19 110.73 2q7r n GLY 39 Ca 0.32 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2q7r n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q7r n ARG 40 N -0.00 0.00 0.00 1.61 5.12 -1.26 -5.06 116.66 117.07 2q7r n ARG 40 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2q7r n ARG 40 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2q7r n ARG 40 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2q7r n SER 41 N 0.00 0.00 -3.66 0.55 3.41 -1.26 -5.06 113.62 107.60 2q7r n SER 41 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2q7r n SER 41 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 2q7r n SER 41 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2q7r s PHE 42 N 0.00 -0.76 0.07 7.33 5.36 -1.26 -5.01 117.98 123.70 2q7r s PHE 42 Ca 0.00 1.48 0.02 0.00 -0.96 0.00 0.00 56.93 57.47 2q7r s PHE 42 Cb 0.00 0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.94 2q7r s PHE 42 CO 0.00 -0.46 -0.07 -0.65 -1.46 0.00 0.00 175.22 172.58 2q7r s GLN 43 N 2.44 0.65 0.47 10.12 -0.21 -1.26 -5.06 119.66 126.82 2q7r s GLN 43 Ca -0.03 -1.02 0.20 0.00 0.02 0.00 0.00 55.36 54.54 2q7r s GLN 43 Cb -0.11 -0.22 1.17 0.00 1.00 0.00 0.00 33.01 34.85 2q7r s GLN 43 CO -0.13 0.01 2.01 -0.09 -2.12 0.00 0.00 175.29 174.97 2q7r h ARG 44 N 3.79 0.00 -4.32 2.91 2.43 -2.02 -3.39 114.38 113.78 2q7r h ARG 44 Ca -0.35 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.17 2q7r h ARG 44 Cb 1.18 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.33 2q7r h ARG 44 CO 0.52 0.18 -0.72 0.99 -1.51 0.00 0.00 179.97 179.43 2q7r s THR 45 N -4.37 2.02 -0.04 0.20 2.01 -1.26 -4.86 115.64 109.34 2q7r s THR 45 Ca -0.03 -2.26 -0.02 0.00 0.31 0.00 0.00 61.69 59.68 2q7r s THR 45 Cb 0.14 -2.49 0.02 0.00 0.01 0.00 0.00 72.50 70.19 2q7r s THR 45 CO 0.65 -0.64 0.10 -0.83 -0.69 0.00 0.00 174.62 173.21 2q7r s GLY 46 N 0.92 -0.02 0.00 4.40 0.00 -1.26 -5.08 107.32 106.28 2q7r s GLY 46 Ca 0.11 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.25 2q7r s GLY 46 CO -0.10 0.58 0.00 2.41 0.00 0.00 0.00 173.10 175.99 2q7r n THR 47 N 3.67 0.00 -0.07 0.90 -1.04 -1.26 -2.45 114.28 114.02 2q7r n THR 47 Ca -0.20 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.65 2q7r n THR 47 Cb 0.55 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.00 2q7r n THR 47 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2q7r n LEU 48 N 0.00 1.22 0.02 -4.42 4.77 -1.26 -4.06 117.00 113.27 2q7r n LEU 48 Ca 0.00 0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 56.08 2q7r n LEU 48 Cb 0.00 -0.44 0.13 0.00 -2.33 0.00 0.00 43.42 40.78 2q7r n LEU 48 CO 0.00 0.35 0.60 0.00 -1.33 0.00 0.00 177.39 177.01 2q7r h ALA 49 N -0.48 0.91 -0.05 -1.18 0.00 -1.96 -1.16 119.26 115.33 2q7r h ALA 49 Ca -0.37 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 2q7r h ALA 49 Cb 1.34 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2q7r h ALA 49 CO -0.21 0.64 -0.04 0.35 0.00 0.00 0.00 179.25 179.99 2q7r h PHE 50 N 0.39 0.13 -0.01 0.00 3.57 -1.83 0.18 116.94 119.38 2q7r h PHE 50 Ca 0.03 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.53 2q7r h PHE 50 Cb 0.89 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 2q7r h PHE 50 CO 0.03 0.54 -0.24 0.93 -2.23 0.00 0.00 178.31 177.34 2q7r h GLU 51 N -0.31 -0.35 -0.73 1.11 4.39 -1.41 0.22 114.58 117.50 2q7r h GLU 51 Ca 0.01 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.76 2q7r h GLU 51 Cb 0.51 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 2q7r h GLU 51 CO 0.01 -0.24 0.48 0.00 -1.16 0.00 0.00 179.01 178.11 2q7r h ARG 52 N -0.37 0.89 0.46 2.33 3.08 -1.16 -2.02 114.38 117.60 2q7r h ARG 52 Ca 0.07 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2q7r h ARG 52 Cb 0.46 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2q7r h ARG 52 CO -0.22 0.59 -0.22 0.28 -1.07 0.00 0.00 179.97 179.32 2q7r h VAL 53 N 0.91 0.30 -1.00 2.04 2.07 0.07 -2.12 116.25 118.53 2q7r h VAL 53 Ca 0.28 -0.55 0.16 0.00 0.82 0.00 0.00 66.70 67.42 2q7r h VAL 53 Cb 0.00 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 30.13 2q7r h VAL 53 CO -0.08 0.06 0.62 0.22 0.02 0.00 0.00 177.57 178.41 2q7r h TYR 54 N -1.04 1.10 0.81 1.57 3.20 -0.91 0.09 116.97 121.78 2q7r h TYR 54 Ca -0.06 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 2q7r h TYR 54 Cb 0.57 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2q7r h TYR 54 CO 0.02 0.32 -0.42 1.15 -1.64 0.00 0.00 178.16 177.59 2q7r h THR 55 N 0.86 0.00 -0.72 1.81 2.02 -1.38 0.41 112.91 115.91 2q7r h THR 55 Ca 0.54 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.86 2q7r h THR 55 Cb 0.73 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.01 2q7r h THR 55 CO -0.34 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 175.26 2q7r h ALA 56 N -1.41 0.19 -0.03 6.16 0.00 -0.61 -0.72 119.26 122.83 2q7r h ALA 56 Ca -0.11 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2q7r h ALA 56 Cb 0.87 0.75 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 2q7r h ALA 56 CO 0.16 -0.57 -0.01 -0.97 0.00 0.00 0.00 179.25 177.87 2q7r h ASN 57 N -0.08 0.06 0.00 0.00 -0.73 -0.95 -2.73 115.58 111.14 2q7r h ASN 57 Ca 0.30 -0.35 0.00 0.00 1.87 0.00 0.00 56.30 58.12 2q7r h ASN 57 Cb 0.56 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.14 2q7r h ASN 57 CO -0.77 0.40 0.00 1.67 -0.37 0.00 0.00 177.43 178.35 2q7r n GLN 58 N -4.88 0.27 -0.10 6.67 -0.06 0.14 -0.92 117.38 118.50 2q7r n GLN 58 Ca -0.08 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.80 2q7r n GLN 58 Cb 0.20 -1.30 -0.15 0.00 -4.06 0.00 0.00 30.24 24.93 2q7r n GLN 58 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 2q7r n ASN 59 N -0.80 0.75 0.13 1.69 4.13 -0.39 -4.02 115.26 116.75 2q7r n ASN 59 Ca 0.04 -0.01 0.12 0.00 1.68 0.00 0.00 54.58 56.41 2q7r n ASN 59 Cb 0.02 0.43 0.24 0.00 -1.54 0.00 0.00 39.78 38.93 2q7r n ASN 59 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2q7r h VAL 61 N 0.00 1.41 0.00 0.00 2.07 -1.46 -2.44 116.25 115.83 2q7r h VAL 61 Ca 0.00 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.24 2q7r h VAL 61 Cb 0.85 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2q7r h VAL 61 CO 0.00 0.68 0.00 0.47 0.02 0.00 0.00 177.57 178.74 2q7r n ASP 62 N -3.78 0.77 0.00 0.57 8.00 -1.20 -3.99 116.55 116.92 2q7r n ASP 62 Ca -0.04 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.06 2q7r n ASP 62 Cb 0.74 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 2q7r n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2q7r n ALA 63 N -1.78 0.00 0.00 2.24 0.00 -1.05 -4.51 120.51 115.41 2q7r n ALA 63 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2q7r n ALA 63 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2q7r n ALA 63 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2q7r n TYR 64 N -1.95 0.00 0.06 0.00 9.36 -0.95 -0.97 117.16 122.71 2q7r n TYR 64 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 2q7r n TYR 64 Cb 0.00 -0.33 -0.05 0.00 -0.63 0.00 0.00 39.34 38.32 2q7r n TYR 64 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2q7r h PRO 65 N 0.00 -0.38 -0.44 2.98 0.13 -1.80 1.08 132.00 133.57 2q7r h PRO 65 Ca 0.00 0.03 0.13 0.00 -0.87 0.00 0.00 66.00 65.28 2q7r h PRO 65 Cb 0.00 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.20 2q7r h PRO 65 CO 0.00 -0.25 0.33 1.15 -0.23 0.00 0.00 178.00 179.00 2q7r h THR 66 N -0.39 0.72 0.04 1.56 2.02 -1.28 0.12 112.91 115.69 2q7r h THR 66 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2q7r h THR 66 Cb 0.40 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2q7r h THR 66 CO -0.15 0.00 -0.02 0.15 0.37 0.00 0.00 175.52 175.87 2q7r h PHE 67 N 0.00 -0.06 -0.83 3.16 3.57 -0.52 -3.09 116.94 119.18 2q7r h PHE 67 Ca 0.21 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.88 2q7r h PHE 67 Cb 0.88 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.57 2q7r h PHE 67 CO 0.00 0.55 0.55 -0.07 -2.23 0.00 0.00 178.31 177.11 2q7r h LEU 68 N -0.93 0.45 0.08 0.59 4.07 0.18 0.28 115.31 120.03 2q7r h LEU 68 Ca -0.01 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 2q7r h LEU 68 Cb 0.63 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2q7r h LEU 68 CO 0.01 0.21 -0.14 0.00 -1.08 0.00 0.00 178.44 177.44 2q7r h ALA 69 N 1.62 -0.77 -0.84 1.53 0.00 -0.82 -1.76 119.26 118.23 2q7r h ALA 69 Ca 0.42 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2q7r h ALA 69 Cb 0.93 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 2q7r h ALA 69 CO -0.16 -0.79 0.52 -0.39 0.00 0.00 0.00 179.25 178.43 2q7r h VAL 70 N -0.24 1.23 -0.64 0.00 -1.51 -1.27 -1.69 116.25 112.13 2q7r h VAL 70 Ca -0.01 -0.50 0.12 0.00 -1.23 0.00 0.00 66.70 65.08 2q7r h VAL 70 Cb 0.22 0.04 -0.12 0.00 -2.13 0.00 0.00 31.29 29.30 2q7r h VAL 70 CO -0.05 0.24 -0.26 0.25 -1.23 0.00 0.00 177.57 176.52 2q7r h LEU 71 N 1.16 -0.93 0.07 4.19 7.12 -0.25 0.30 115.31 126.97 2q7r h LEU 71 Ca 0.30 0.22 -0.00 0.00 0.13 0.00 0.00 57.88 58.53 2q7r h LEU 71 Cb -0.06 0.51 0.00 0.00 -0.53 0.00 0.00 40.66 40.58 2q7r h LEU 71 CO -0.06 -0.27 -0.03 -0.50 -0.13 0.00 0.00 178.44 177.45 2q7r h TRP 72 N -0.09 -0.08 -0.93 1.25 4.06 -1.12 -2.33 115.95 116.72 2q7r h TRP 72 Ca 0.28 -0.00 0.23 0.00 2.06 0.00 0.00 58.89 61.46 2q7r h TRP 72 Cb 0.53 0.03 -0.06 0.00 -1.00 0.00 0.00 29.16 28.66 2q7r h TRP 72 CO -0.60 0.37 0.63 0.66 -3.56 0.00 0.00 178.44 175.94 2q7r h SER 73 N -0.96 0.28 -0.04 -3.49 4.64 -1.19 0.49 113.55 113.28 2q7r h SER 73 Ca -0.01 0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 61.17 2q7r h SER 73 Cb 0.49 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2q7r h SER 73 CO 0.01 0.10 -0.67 0.00 -0.87 0.00 0.00 176.83 175.40 2q7r h ALA 74 N 1.59 0.13 0.00 5.18 0.00 -0.48 -1.34 119.26 124.34 2q7r h ALA 74 Ca 0.48 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2q7r h ALA 74 Cb 1.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2q7r h ALA 74 CO -0.14 0.45 0.00 0.78 0.00 0.00 0.00 179.25 180.33 2q7r h GLY 75 N 0.09 0.00 0.04 0.00 0.00 0.17 -1.82 103.07 101.55 2q7r h GLY 75 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.85 2q7r h GLY 75 CO 0.13 0.00 -2.43 1.04 0.00 0.00 0.00 176.54 175.28 2q7r n LEU 76 N -2.97 2.56 0.15 3.11 7.99 0.13 -3.30 117.00 124.67 2q7r n LEU 76 Ca 0.00 0.07 0.13 0.00 -0.01 0.00 0.00 56.01 56.20 2q7r n LEU 76 Cb 0.27 -0.89 0.30 0.00 -0.11 0.00 0.00 43.42 42.99 2q7r n LEU 76 CO 0.25 0.78 0.83 -0.07 -1.51 0.00 0.00 177.39 177.68 2q7r h LEU 77 N -0.38 0.00 -6.00 2.23 4.07 -1.30 -3.44 115.31 110.50 2q7r h LEU 77 Ca -0.61 -0.01 0.05 0.00 0.08 0.00 0.00 57.88 57.40 2q7r h LEU 77 Cb 1.79 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 43.32 2q7r h LEU 77 CO -0.20 0.00 -0.33 0.00 -1.08 0.00 0.00 178.44 176.83 2q7r n SER 79 N 5.41 -3.23 0.09 0.00 2.88 -1.26 -4.45 113.62 113.06 2q7r n SER 79 Ca 0.04 1.20 -0.07 0.00 -1.33 0.00 0.00 58.87 58.71 2q7r n SER 79 Cb 0.54 -2.79 0.04 0.00 -0.75 0.00 0.00 64.21 61.24 2q7r n SER 79 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2q7r h GLN 80 N 3.69 0.17 -0.12 -1.46 -0.00 -1.84 -3.08 115.11 112.48 2q7r h GLN 80 Ca 0.00 -0.16 -0.02 0.00 -0.00 0.00 0.00 58.65 58.47 2q7r h GLN 80 Cb 0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 27.48 27.52 2q7r h GLN 80 CO 0.00 0.87 0.01 0.28 -0.00 0.00 0.00 178.83 179.99 2q7r h VAL 81 N 0.11 1.23 -0.47 1.86 2.07 -1.91 0.79 116.25 119.93 2q7r h VAL 81 Ca -0.03 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 2q7r h VAL 81 Cb 1.37 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2q7r h VAL 81 CO 0.12 0.21 -0.04 -0.65 0.02 0.00 0.00 177.57 177.23 2q7r h PRO 82 N -0.04 0.81 0.00 1.57 0.11 -1.90 -1.13 132.00 131.42 2q7r h PRO 82 Ca 0.03 -0.24 -0.00 0.00 0.11 0.00 0.00 66.00 65.90 2q7r h PRO 82 Cb 0.31 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.34 2q7r h PRO 82 CO 0.00 0.84 -0.00 0.00 -0.21 0.00 0.00 178.00 178.63 2q7r h ALA 83 N 1.20 -0.01 -0.99 -0.75 0.00 -1.46 -1.73 119.26 115.53 2q7r h ALA 83 Ca 0.14 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2q7r h ALA 83 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2q7r h ALA 83 CO 0.03 -0.36 0.64 0.00 0.00 0.00 0.00 179.25 179.56 2q7r h ALA 84 N 0.71 1.41 -0.26 0.00 0.00 -0.64 -1.67 119.26 118.80 2q7r h ALA 84 Ca -0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2q7r h ALA 84 Cb 0.29 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2q7r h ALA 84 CO 0.00 0.45 -0.42 0.35 0.00 0.00 0.00 179.25 179.63 2q7r h PHE 85 N 1.17 0.93 -0.20 0.00 3.04 -1.13 -2.05 116.94 118.70 2q7r h PHE 85 Ca 0.42 -0.32 0.04 0.00 3.98 0.00 0.00 57.97 62.10 2q7r h PHE 85 Cb 0.14 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 38.43 2q7r h PHE 85 CO -0.00 1.10 -0.09 0.00 -2.02 0.00 0.00 178.31 177.31 2q7r h ALA 86 N 0.66 0.08 -0.46 2.41 0.00 -0.73 -0.69 119.26 120.54 2q7r h ALA 86 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2q7r h ALA 86 Cb 1.02 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2q7r h ALA 86 CO 0.10 -0.51 0.30 0.78 0.00 0.00 0.00 179.25 179.91 2q7r h GLY 87 N -0.06 0.65 -1.11 0.00 0.00 -1.33 -0.02 103.07 101.21 2q7r h GLY 87 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2q7r h GLY 87 CO -0.24 0.24 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 2q7r n LEU 88 N -4.46 0.24 0.00 3.11 -0.00 -0.27 -1.23 117.00 114.39 2q7r n LEU 88 Ca 0.04 -0.12 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 2q7r n LEU 88 Cb 0.06 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 2q7r n LEU 88 CO 0.35 0.05 0.00 0.00 -0.00 0.00 0.00 177.39 177.80 2q7r n TYR 90 N 0.46 0.00 0.19 1.96 9.36 -0.02 -2.39 117.16 126.72 2q7r n TYR 90 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 2q7r n TYR 90 Cb 0.05 0.00 0.68 0.00 -0.63 0.00 0.00 39.34 39.44 2q7r n TYR 90 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2q7r h LEU 91 N 0.00 0.00 0.00 2.98 4.07 -1.44 -0.32 115.31 120.60 2q7r h LEU 91 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 2q7r h LEU 91 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2q7r h LEU 91 CO 0.00 0.00 -0.07 -0.26 -1.08 0.00 0.00 178.44 177.03 2q7r h PHE 92 N 0.00 0.06 -0.82 1.13 0.04 -1.76 -2.42 116.94 113.17 2q7r h PHE 92 Ca 0.07 -0.04 0.09 0.00 2.80 0.00 0.00 57.97 60.90 2q7r h PHE 92 Cb 0.30 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.38 2q7r h PHE 92 CO 0.00 0.87 0.54 0.28 -0.60 0.00 0.00 178.31 179.39 2q7r h VAL 93 N -0.76 0.96 0.19 -0.55 2.07 -1.73 -1.07 116.25 115.36 2q7r h VAL 93 Ca -0.01 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2q7r h VAL 93 Cb 0.89 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2q7r h VAL 93 CO 0.01 0.14 -0.13 0.03 0.02 0.00 0.00 177.57 177.65 2q7r h ARG 94 N 0.78 -0.31 -0.19 1.57 2.47 -1.08 0.67 114.38 118.30 2q7r h ARG 94 Ca 0.38 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 59.17 2q7r h ARG 94 Cb 0.43 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.75 2q7r h ARG 94 CO -0.15 -0.20 -0.26 0.37 0.56 0.00 0.00 179.97 180.29 2q7r h GLN 95 N -0.32 -0.29 -0.97 0.04 5.75 -0.73 0.32 115.11 118.91 2q7r h GLN 95 Ca -0.01 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 2q7r h GLN 95 Cb 0.28 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.83 2q7r h GLN 95 CO 0.00 -0.19 0.63 0.87 -2.65 0.00 0.00 178.83 177.49 2q7r h LYS 96 N -0.30 1.16 0.53 1.69 6.56 -0.95 0.11 116.57 125.38 2q7r h LYS 96 Ca 0.12 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.61 2q7r h LYS 96 Cb 0.48 -0.26 0.01 0.00 -0.57 0.00 0.00 32.23 31.88 2q7r h LYS 96 CO -0.36 0.77 -0.26 -0.92 -2.06 0.00 0.00 179.45 176.63 2q7r h TYR 97 N 1.20 -0.67 -0.77 -1.35 3.20 -0.01 0.70 116.97 119.28 2q7r h TYR 97 Ca 0.40 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.40 2q7r h TYR 97 Cb 0.06 0.22 -0.10 0.00 1.54 0.00 0.00 36.73 38.45 2q7r h TYR 97 CO -0.01 -0.36 0.30 0.35 -1.64 0.00 0.00 178.16 176.80 2q7r h PHE 98 N -1.11 0.51 -0.30 -3.82 3.57 -0.27 0.87 116.94 116.39 2q7r h PHE 98 Ca -0.07 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 2q7r h PHE 98 Cb 0.60 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2q7r h PHE 98 CO 0.01 0.05 0.00 0.28 -2.23 0.00 0.00 178.31 176.42 2q7r h VAL 99 N 0.43 1.26 0.00 1.41 2.07 -0.79 -2.71 116.25 117.92 2q7r h VAL 99 Ca 0.43 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2q7r h VAL 99 Cb 0.67 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2q7r h VAL 99 CO -0.42 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.08 2q7r n GLY 100 N -0.34 -1.21 3.56 2.17 0.00 0.23 -3.63 105.19 105.98 2q7r n GLY 100 Ca -0.03 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2q7r n GLY 100 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2q7r s TYR 101 N -3.38 2.95 0.00 1.61 5.04 0.19 -3.99 117.35 119.77 2q7r s TYR 101 Ca 0.03 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 2q7r s TYR 101 Cb 0.09 -3.88 0.00 0.00 0.35 0.00 0.00 41.96 38.52 2q7r s TYR 101 CO 0.36 -1.05 0.00 1.47 -1.34 0.00 0.00 175.55 174.99 2q7r n LEU 102 N 7.04 0.00 0.05 6.97 -0.00 -1.26 -4.83 117.00 124.97 2q7r n LEU 102 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 56.00 2q7r n LEU 102 Cb 0.48 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 44.01 2q7r n LEU 102 CO 0.62 0.00 0.51 1.23 -0.00 0.00 0.00 177.39 179.75 2q7r h GLY 103 N 0.00 0.43 0.00 1.47 0.00 -1.69 -3.35 103.07 99.93 2q7r h GLY 103 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 2q7r h GLY 103 CO 0.00 0.44 -1.47 1.18 0.00 0.00 0.00 176.54 176.69 2q7r n GLU 104 N -3.94 0.31 -4.08 4.80 -0.58 -1.26 -5.01 120.64 110.88 2q7r n GLU 104 Ca -0.03 -0.09 -0.27 0.00 -0.42 0.00 0.00 57.16 56.35 2q7r n GLU 104 Cb 0.59 -1.24 -0.05 0.00 -0.57 0.00 0.00 31.44 30.16 2q7r n GLU 104 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2q7r n ARG 105 N -1.86 -2.47 -4.37 3.49 1.85 -1.26 -4.95 116.66 107.09 2q7r n ARG 105 Ca -0.02 0.29 -0.26 0.00 -1.00 0.00 0.00 57.85 56.86 2q7r n ARG 105 Cb 0.27 -4.20 -0.09 0.00 -1.05 0.00 0.00 32.46 27.39 2q7r n ARG 105 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2q7r s THR 106 N -4.11 2.18 -0.70 8.89 2.01 -1.26 -5.08 115.64 117.57 2q7r s THR 106 Ca 0.00 -1.86 -0.03 0.00 0.31 0.00 0.00 61.69 60.12 2q7r s THR 106 Cb -0.00 -2.99 0.23 0.00 0.01 0.00 0.00 72.50 69.75 2q7r s THR 106 CO 0.93 -0.01 2.33 1.67 -0.69 0.00 0.00 174.62 178.85 2q7r n GLN 107 N -1.09 2.72 0.00 4.92 -0.06 -1.26 -4.69 117.38 117.92 2q7r n GLN 107 Ca -0.03 -3.08 0.00 0.00 -2.00 0.00 0.00 57.00 51.89 2q7r n GLN 107 Cb 0.66 -2.23 0.00 0.00 -4.06 0.00 0.00 30.24 24.60 2q7r n GLN 107 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2q7r n SER 108 N 0.09 0.00 0.00 1.69 7.64 -1.26 -5.05 113.62 116.74 2q7r n SER 108 Ca 0.52 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.40 2q7r n SER 108 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2q7r n SER 108 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2q7r n THR 109 N 0.00 0.00 -0.81 0.44 -1.04 -1.26 -4.99 114.28 106.61 2q7r n THR 109 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 2q7r n THR 109 Cb 0.00 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.62 2q7r n THR 109 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2q7r n PRO 110 N 0.00 -0.35 0.00 -2.82 -0.04 -1.26 -4.98 135.00 125.54 2q7r n PRO 110 Ca 0.00 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2q7r n PRO 110 Cb 0.00 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 2q7r n PRO 110 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2q7r n GLY 111 N 1.82 2.99 2.17 0.55 0.00 -1.26 -4.99 105.19 106.48 2q7r n GLY 111 Ca 0.05 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.63 2q7r n GLY 111 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2q7r n TYR 112 N -1.30 2.95 -0.01 1.61 4.02 -1.26 -4.73 117.16 118.44 2q7r n TYR 112 Ca 0.00 -2.49 -0.04 0.00 -0.01 0.00 0.00 57.90 55.35 2q7r n TYR 112 Cb 0.00 -0.39 -0.01 0.00 -0.02 0.00 0.00 39.34 38.92 2q7r n TYR 112 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2q7r n ILE 113 N -0.67 0.50 -3.30 -0.72 5.41 -1.26 -5.11 119.36 114.22 2q7r n ILE 113 Ca 0.45 0.04 0.00 0.00 1.00 0.00 0.00 62.75 64.23 2q7r n ILE 113 Cb 0.85 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 2q7r n ILE 113 CO 0.00 0.00 0.00 2.22 0.00 0.00 0.00 176.55 178.77 2q7r n PHE 114 N -3.32 -0.65 -1.60 1.39 1.16 -1.26 -4.64 117.46 108.54 2q7r n PHE 114 Ca -0.08 0.00 -0.60 0.00 -1.87 0.00 0.00 57.45 54.90 2q7r n PHE 114 Cb 0.45 0.13 -0.09 0.00 -1.61 0.00 0.00 39.48 38.36 2q7r n PHE 114 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2q7r n GLY 115 N 0.00 0.43 0.35 4.97 0.00 -1.26 -4.85 105.19 104.83 2q7r n GLY 115 Ca 0.00 0.99 -0.17 0.00 0.00 0.00 0.00 46.02 46.84 2q7r n GLY 115 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2q7r n LYS 116 N 5.76 0.38 0.20 1.61 2.85 -1.26 -4.33 118.16 123.37 2q7r n LYS 116 Ca 0.35 0.14 0.09 0.00 -1.05 0.00 0.00 58.31 57.84 2q7r n LYS 116 Cb 0.06 -1.18 0.30 0.00 -0.65 0.00 0.00 35.03 33.55 2q7r n LYS 116 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 177.40 177.42 2q7r h ARG 117 N -0.45 0.00 -0.44 -1.58 0.11 -1.98 -0.94 114.38 109.10 2q7r h ARG 117 Ca -0.42 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.59 2q7r h ARG 117 Cb 1.44 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.50 2q7r h ARG 117 CO -0.21 0.26 0.02 0.82 0.10 0.00 0.00 179.97 180.96 2q7r h ILE 118 N 0.00 1.26 0.00 0.08 2.04 -1.96 -0.76 117.51 118.16 2q7r h ILE 118 Ca -0.00 -1.00 -0.15 0.00 1.00 0.00 0.00 64.86 64.71 2q7r h ILE 118 Cb 0.96 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 2q7r h ILE 118 CO 0.03 0.34 -0.87 0.16 0.00 0.00 0.00 178.15 177.82 2q7r h ILE 119 N 0.61 0.95 -0.46 -0.67 -2.65 -1.73 -2.82 117.51 110.74 2q7r h ILE 119 Ca 0.13 -2.43 -0.01 0.00 1.03 0.00 0.00 64.86 63.57 2q7r h ILE 119 Cb 0.46 2.42 -0.02 0.00 -2.05 0.00 0.00 36.82 37.63 2q7r h ILE 119 CO 0.02 0.54 0.23 0.25 0.03 0.00 0.00 178.15 179.22 2q7r h LEU 120 N 0.00 0.59 0.12 0.16 7.12 -0.98 0.18 115.31 122.49 2q7r h LEU 120 Ca -0.06 -0.12 -0.01 0.00 0.13 0.00 0.00 57.88 57.83 2q7r h LEU 120 Cb 1.54 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.52 2q7r h LEU 120 CO 0.07 0.54 -0.06 0.15 -0.13 0.00 0.00 178.44 179.02 2q7r h PHE 121 N 0.60 -0.15 -0.98 1.25 3.57 -1.18 -0.61 116.94 119.45 2q7r h PHE 121 Ca 0.16 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.82 2q7r h PHE 121 Cb 0.10 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 38.79 2q7r h PHE 121 CO -0.01 0.04 0.59 -0.07 -2.23 0.00 0.00 178.31 176.63 2q7r h LEU 122 N -0.31 0.80 -0.19 0.59 -0.00 -1.25 0.11 115.31 115.05 2q7r h LEU 122 Ca -0.02 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 2q7r h LEU 122 Cb 0.26 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 2q7r h LEU 122 CO 0.03 0.34 0.09 0.15 -0.00 0.00 0.00 178.44 179.04 2q7r h PHE 123 N 0.82 0.28 0.00 1.13 3.04 -0.21 -2.58 116.94 119.42 2q7r h PHE 123 Ca 0.53 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.47 2q7r h PHE 123 Cb 0.72 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.15 2q7r h PHE 123 CO -0.02 0.31 0.00 1.28 -2.02 0.00 0.00 178.31 177.86 2q7r n LEU 124 N -4.86 0.00 0.00 0.59 4.32 0.02 -0.18 117.00 116.90 2q7r n LEU 124 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 2q7r n LEU 124 Cb 0.11 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 2q7r n LEU 124 CO 0.35 0.00 0.00 -1.20 -1.22 0.00 0.00 177.39 175.32 2q7r n SER 126 N 1.09 0.00 0.00 -1.43 7.64 -0.97 0.11 113.62 120.05 2q7r n SER 126 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 2q7r n SER 126 Cb 0.00 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.37 2q7r n SER 126 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2q7r n VAL 127 N 0.00 1.28 0.00 0.44 3.14 0.75 -0.88 118.33 123.06 2q7r n VAL 127 Ca 0.00 0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.70 2q7r n VAL 127 Cb 0.00 -1.19 0.00 0.00 -1.06 0.00 0.00 33.84 31.59 2q7r n VAL 127 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2q7r n ALA 128 N -1.43 0.00 -0.34 1.55 0.00 0.30 -3.57 120.51 117.02 2q7r n ALA 128 Ca 0.02 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.71 2q7r n ALA 128 Cb 0.08 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.05 2q7r n ALA 128 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2q7r h GLY 129 N 0.00 1.25 1.07 0.00 0.00 -1.62 0.46 103.07 104.22 2q7r h GLY 129 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 47.33 47.25 2q7r h GLY 129 CO 0.00 -0.17 0.35 1.19 0.00 0.00 0.00 176.54 177.91 2q7r h ILE 130 N 0.36 0.81 0.01 2.60 -0.00 -1.18 0.82 117.51 120.93 2q7r h ILE 130 Ca 0.62 -0.05 -0.32 0.00 -0.00 0.00 0.00 64.86 65.11 2q7r h ILE 130 Cb 1.62 0.66 -0.05 0.00 -0.00 0.00 0.00 36.82 39.05 2q7r h ILE 130 CO -0.32 0.03 -1.76 0.33 -0.00 0.00 0.00 178.15 176.42 2q7r n PHE 131 N -4.43 0.68 0.25 2.19 -0.00 0.15 -3.96 117.46 112.35 2q7r n PHE 131 Ca 0.09 0.27 0.18 0.00 -0.00 0.00 0.00 57.45 57.99 2q7r n PHE 131 Cb 0.48 -1.07 0.86 0.00 -0.00 0.00 0.00 39.48 39.74 2q7r n PHE 131 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.76 175.79 2q7r h ASN 132 N -0.89 0.00 -0.04 -2.13 -0.73 -1.02 0.37 115.58 111.14 2q7r h ASN 132 Ca -0.48 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 57.68 2q7r h ASN 132 Cb 1.48 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.07 2q7r h ASN 132 CO -0.26 0.00 -0.01 0.22 -0.37 0.00 0.00 177.43 177.01 2q7r h TYR 133 N 0.00 0.10 0.00 0.67 3.20 -0.98 -2.34 116.97 117.62 2q7r h TYR 133 Ca 0.06 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2q7r h TYR 133 Cb 0.64 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.88 2q7r h TYR 133 CO 0.00 0.43 0.18 1.88 -1.64 0.00 0.00 178.16 179.01 2q7r h TYR 134 N -0.27 0.00 0.01 -3.82 0.05 -0.38 0.63 116.97 113.19 2q7r h TYR 134 Ca 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 2q7r h TYR 134 Cb 0.40 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.14 2q7r h TYR 134 CO 0.05 0.00 -0.07 -0.07 -1.05 0.00 0.00 178.16 177.02 2q7r h LEU 135 N 0.00 0.04 -1.75 3.88 3.38 -1.27 -1.12 115.31 118.48 2q7r h LEU 135 Ca 0.00 -0.97 -0.03 0.00 0.09 0.00 0.00 57.88 56.97 2q7r h LEU 135 Cb 0.36 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2q7r h LEU 135 CO 0.00 1.01 -0.16 0.40 0.09 0.00 0.00 178.44 179.78 2q7r h ILE 136 N -0.91 0.97 -0.02 1.22 2.04 -0.14 1.53 117.51 122.20 2q7r h ILE 136 Ca -0.01 -0.57 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 2q7r h ILE 136 Cb 1.03 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 2q7r h ILE 136 CO 0.01 0.16 -0.15 0.15 0.00 0.00 0.00 178.15 178.32 2q7r h PHE 137 N 0.00 0.18 0.00 1.37 3.57 0.03 -3.22 116.94 118.88 2q7r h PHE 137 Ca -0.00 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2q7r h PHE 137 Cb 0.31 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2q7r h PHE 137 CO 0.00 0.83 -0.26 0.74 -2.23 0.00 0.00 178.31 177.39 2q7r h PHE 138 N -0.52 0.00 0.00 0.41 -1.00 -0.72 -3.43 116.94 111.68 2q7r h PHE 138 Ca -0.01 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.49 2q7r h PHE 138 Cb 0.86 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.38 2q7r h PHE 138 CO 0.17 0.00 -1.55 0.74 -1.61 0.00 0.00 178.31 176.06 2q7r h PHE 139 N -0.72 0.00 0.00 -0.55 -1.00 0.13 -3.38 116.94 111.42 2q7r h PHE 139 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2q7r h PHE 139 Cb 0.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.82 2q7r h PHE 139 CO -0.11 0.99 0.43 0.41 -1.61 0.00 0.00 178.31 178.41 2q7r n GLY 140 N 1.51 -0.38 0.21 -1.45 0.00 0.42 0.14 105.19 105.65 2q7r n GLY 140 Ca -0.13 0.05 0.03 0.00 0.00 0.00 0.00 46.02 45.97 2q7r n GLY 140 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2q7r n SER 141 N -1.69 2.37 -4.54 1.61 2.88 -1.26 -4.97 113.62 108.02 2q7r n SER 141 Ca -0.00 -2.18 -0.41 0.00 -1.33 0.00 0.00 58.87 54.95 2q7r n SER 141 Cb 0.43 -0.14 -0.09 0.00 -0.75 0.00 0.00 64.21 63.67 2q7r n SER 141 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2q7r s ASP 142 N -1.27 6.19 -0.06 -3.46 1.01 0.38 -5.03 116.67 114.43 2q7r s ASP 142 Ca 0.12 -0.22 -0.05 0.00 0.71 0.00 0.00 52.55 53.11 2q7r s ASP 142 Cb 0.08 -2.20 0.02 0.00 1.01 0.00 0.00 42.92 41.82 2q7r s ASP 142 CO 0.05 -0.35 0.15 0.12 0.21 0.00 0.00 175.17 175.34 2q7r s PHE 143 N 2.05 -0.16 -0.91 4.23 5.36 -1.26 -5.07 117.98 122.22 2q7r s PHE 143 Ca 0.12 0.40 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 2q7r s PHE 143 Cb -0.16 0.05 0.33 0.00 -0.34 0.00 0.00 43.02 42.89 2q7r s PHE 143 CO 0.12 -0.08 1.69 0.39 -1.46 0.00 0.00 175.22 175.87 2q7r n GLU 144 N 3.09 4.61 -0.25 10.12 1.02 -1.26 -4.32 120.64 133.65 2q7r n GLU 144 Ca -0.13 -4.52 0.11 0.00 -0.02 0.00 0.00 57.16 52.60 2q7r n GLU 144 Cb 0.58 -2.39 0.27 0.00 -0.02 0.00 0.00 31.44 29.88 2q7r n GLU 144 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2q7r n ASN 145 N -0.18 3.27 0.03 1.62 3.02 -1.26 -3.59 115.26 118.17 2q7r n ASN 145 Ca 0.45 -1.97 0.12 0.00 -0.03 0.00 0.00 54.58 53.15 2q7r n ASN 145 Cb 0.29 -0.33 0.13 0.00 -0.61 0.00 0.00 39.78 39.27 2q7r n ASN 145 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2q7r n TYR 146 N 1.32 0.26 1.68 3.10 4.02 -1.26 -2.92 117.16 123.36 2q7r n TYR 146 Ca 0.20 0.08 0.15 0.00 -0.01 0.00 0.00 57.90 58.32 2q7r n TYR 146 Cb 0.55 -0.43 0.82 0.00 -0.02 0.00 0.00 39.34 40.26 2q7r n TYR 146 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2q7r n ILE 147 N -1.85 0.00 -1.71 -0.72 5.41 -1.24 -4.76 119.36 114.50 2q7r n ILE 147 Ca 0.03 -0.02 -0.43 0.00 1.00 0.00 0.00 62.75 63.34 2q7r n ILE 147 Cb 0.40 -0.41 -0.03 0.00 -0.71 0.00 0.00 39.64 38.89 2q7r n ILE 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2q7r s ALA 148 N -2.28 2.81 -0.49 -1.39 0.00 -1.15 -5.21 121.76 114.05 2q7r s ALA 148 Ca 0.38 0.68 0.04 0.00 0.00 0.00 0.00 51.96 53.06 2q7r s ALA 148 Cb 0.21 -4.05 0.03 0.00 0.00 0.00 0.00 23.12 19.31 2q7r s ALA 148 CO 0.42 -2.69 0.62 2.41 0.00 0.00 0.00 175.76 176.52