#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg s GLU 2 N 0.00 4.44 0.34 0.03 2.02 -1.26 -5.00 118.70 119.27 1qvg s GLU 2 Ca 0.00 1.11 -0.27 0.00 0.02 0.00 0.00 54.97 55.83 1qvg s GLU 2 Cb 0.00 -2.89 -0.13 0.00 0.10 0.00 0.00 34.13 31.21 1qvg s GLU 2 CO 0.00 0.36 1.10 0.00 0.02 0.00 0.00 175.26 176.75 1qvg n ALA 3 N 0.75 0.37 0.23 5.21 0.00 -1.26 -4.86 120.51 120.95 1qvg n ALA 3 Ca -0.01 0.34 0.13 0.00 0.00 0.00 0.00 53.44 53.90 1qvg n ALA 3 Cb 0.50 -2.11 0.28 0.00 0.00 0.00 0.00 19.45 18.12 1qvg n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1qvg h LEU 4 N 2.07 0.00 0.51 0.00 3.38 -1.94 -3.47 115.31 115.85 1qvg h LEU 4 Ca -0.43 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 1qvg h LEU 4 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1qvg h LEU 4 CO 0.60 0.02 -0.10 0.61 0.09 0.00 0.00 178.44 179.66 1qvg n GLY 5 N 0.86 0.29 3.64 0.83 0.00 -1.26 -4.69 105.19 104.86 1qvg n GLY 5 Ca 0.03 -0.75 -0.06 0.00 0.00 0.00 0.00 46.02 45.24 1qvg n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qvg s ALA 6 N -2.19 -2.10 -0.12 4.61 0.00 -1.26 -4.40 121.76 116.30 1qvg s ALA 6 Ca 0.00 1.82 -0.24 0.00 0.00 0.00 0.00 51.96 53.54 1qvg s ALA 6 Cb 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 1qvg s ALA 6 CO 0.00 -0.19 0.75 -0.51 0.00 0.00 0.00 175.76 175.81 1qvg s ASP 7 N 0.21 6.94 -0.06 0.00 1.01 -0.30 -4.91 116.67 119.57 1qvg s ASP 7 Ca 0.04 1.15 0.02 0.00 0.71 0.00 0.00 52.55 54.47 1qvg s ASP 7 Cb -0.05 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1qvg s ASP 7 CO -0.10 -0.25 -0.10 -0.69 0.21 0.00 0.00 175.17 174.24 1qvg s VAL 8 N 1.45 3.45 -0.52 -1.27 1.01 -1.26 -0.39 120.40 122.87 1qvg s VAL 8 Ca 0.37 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 1qvg s VAL 8 Cb -0.17 -2.39 0.13 0.00 0.00 0.00 0.00 36.38 33.95 1qvg s VAL 8 CO 0.15 0.59 0.37 -0.89 0.00 0.00 0.00 175.10 175.33 1qvg s THR 9 N -0.78 4.09 0.04 3.92 2.01 -1.26 -5.04 115.64 118.63 1qvg s THR 9 Ca 0.12 -2.08 -0.37 0.00 0.31 0.00 0.00 61.69 59.67 1qvg s THR 9 Cb -0.11 -3.69 -0.19 0.00 0.01 0.00 0.00 72.50 68.52 1qvg s THR 9 CO 0.01 -0.80 0.96 0.00 -0.69 0.00 0.00 174.62 174.10 1qvg n GLN 10 N 4.55 0.01 0.00 4.92 3.00 -1.26 -4.83 117.38 123.77 1qvg n GLN 10 Ca -0.03 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.02 1qvg n GLN 10 Cb 0.41 -1.40 0.02 0.00 0.00 0.00 0.00 30.24 29.27 1qvg n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1qvg n GLY 11 N 1.61 -0.26 3.46 1.08 0.00 -0.61 -4.90 105.19 105.58 1qvg n GLY 11 Ca 0.20 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1qvg n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qvg s LEU 12 N -1.30 2.59 0.15 0.99 1.43 0.16 -4.92 118.68 117.77 1qvg s LEU 12 Ca 0.10 -1.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.19 1qvg s LEU 12 Cb 0.08 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 1qvg s LEU 12 CO 0.20 0.03 0.00 -1.61 0.23 0.00 0.00 176.35 175.20 1qvg s GLU 13 N -3.51 1.00 0.07 1.70 2.02 -1.26 0.77 118.70 119.50 1qvg s GLU 13 Ca 0.29 -1.47 -0.32 0.00 0.02 0.00 0.00 54.97 53.49 1qvg s GLU 13 Cb -0.05 -0.12 -0.11 0.00 0.10 0.00 0.00 34.13 33.95 1qvg s GLU 13 CO 0.14 -0.14 1.82 1.17 0.02 0.00 0.00 175.26 178.28 1qvg n LYS 14 N -0.16 2.55 0.00 1.61 4.81 -0.52 -0.87 118.16 125.58 1qvg n LYS 14 Ca -0.07 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 1qvg n LYS 14 Cb 0.63 -2.80 0.00 0.00 0.02 0.00 0.00 35.03 32.88 1qvg n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qvg n GLY 15 N 4.18 0.37 3.76 3.14 0.00 -0.31 -4.97 105.19 111.37 1qvg n GLY 15 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1qvg n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qvg s SER 16 N -2.48 7.12 -0.37 1.61 0.01 -0.05 -4.75 113.70 114.79 1qvg s SER 16 Ca 0.00 2.19 -0.15 0.00 1.31 0.00 0.00 55.95 59.30 1qvg s SER 16 Cb 0.00 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.61 1qvg s SER 16 CO 0.00 -0.24 0.33 -0.76 0.41 0.00 0.00 173.24 172.98 1qvg s LEU 17 N -1.80 4.66 0.00 2.44 1.43 -1.26 -1.38 118.68 122.76 1qvg s LEU 17 Ca 0.48 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1qvg s LEU 17 Cb -0.29 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1qvg s LEU 17 CO 0.37 -0.37 0.04 2.30 0.23 0.00 0.00 176.35 178.91 1qvg n ILE 18 N 5.22 0.00 -3.66 -0.59 -5.35 0.14 -4.96 119.36 110.16 1qvg n ILE 18 Ca -0.10 -2.38 -0.37 0.00 -0.27 0.00 0.00 62.75 59.63 1qvg n ILE 18 Cb 0.49 0.43 -0.06 0.00 -1.74 0.00 0.00 39.64 38.76 1qvg n ILE 18 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1qvg s THR 19 N -2.82 5.26 -0.80 7.28 2.01 -0.54 -1.10 115.64 124.93 1qvg s THR 19 Ca 0.03 0.54 -0.19 0.00 0.31 0.00 0.00 61.69 62.38 1qvg s THR 19 Cb -0.00 -3.57 0.13 0.00 0.01 0.00 0.00 72.50 69.07 1qvg s THR 19 CO 0.02 0.57 0.95 0.00 -0.69 0.00 0.00 174.62 175.47 1qvg n ALA 21 N 6.23 5.66 -3.84 0.00 0.00 0.26 -4.79 120.51 124.03 1qvg n ALA 21 Ca 0.11 -2.69 -0.04 0.00 0.00 0.00 0.00 53.44 50.82 1qvg n ALA 21 Cb 0.47 -3.19 0.01 0.00 0.00 0.00 0.00 19.45 16.73 1qvg n ALA 21 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1qvg s ASP 22 N 3.06 -0.05 -0.42 0.00 1.47 -1.26 -2.82 116.67 116.65 1qvg s ASP 22 Ca 0.51 -0.63 0.05 0.00 1.18 0.00 0.00 52.55 53.67 1qvg s ASP 22 Cb 0.13 0.52 0.65 0.00 -0.34 0.00 0.00 42.92 43.88 1qvg s ASP 22 CO -0.04 -1.01 1.85 -0.46 0.68 0.00 0.00 175.17 176.19 1qvg n ASN 23 N -1.01 3.59 0.22 2.11 6.94 -0.86 -4.61 115.26 121.64 1qvg n ASN 23 Ca -0.04 -3.62 0.09 0.00 -0.02 0.00 0.00 54.58 50.99 1qvg n ASN 23 Cb 0.60 -0.81 0.50 0.00 -2.36 0.00 0.00 39.78 37.71 1qvg n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1qvg h THR 24 N 1.05 0.66 0.00 5.53 1.35 -1.91 -3.45 112.91 116.14 1qvg h THR 24 Ca 0.57 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1qvg h THR 24 Cb 2.68 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 70.79 1qvg h THR 24 CO 0.99 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 177.11 1qvg n GLY 25 N -0.07 0.89 3.57 5.82 0.00 -1.26 -5.01 105.19 109.13 1qvg n GLY 25 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1qvg n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qvg s ALA 26 N -2.00 3.41 -0.11 4.61 0.00 -1.26 -0.65 121.76 125.75 1qvg s ALA 26 Ca 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 1qvg s ALA 26 Cb 0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 1qvg s ALA 26 CO 0.00 -0.28 -0.19 0.54 0.00 0.00 0.00 175.76 175.83 1qvg n ARG 27 N 4.50 0.34 -4.08 0.00 1.74 0.03 -4.58 116.66 114.61 1qvg n ARG 27 Ca -0.15 0.28 -0.35 0.00 -0.77 0.00 0.00 57.85 56.86 1qvg n ARG 27 Cb 0.52 -1.27 -0.09 0.00 -1.02 0.00 0.00 32.46 30.60 1qvg n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1qvg s GLU 28 N -2.10 3.75 0.03 5.56 2.12 -1.09 -0.50 118.70 126.47 1qvg s GLU 28 Ca -0.15 -0.35 0.08 0.00 0.36 0.00 0.00 54.97 54.90 1qvg s GLU 28 Cb 0.02 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 1qvg s GLU 28 CO 0.23 0.39 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.62 1qvg s LEU 29 N 0.03 2.46 -0.20 2.70 1.43 -0.26 -0.77 118.68 124.07 1qvg s LEU 29 Ca 0.05 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1qvg s LEU 29 Cb -0.12 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 1qvg s LEU 29 CO 0.01 0.26 -0.08 -0.75 0.23 0.00 0.00 176.35 176.03 1qvg s LYS 30 N -1.31 3.33 0.30 1.70 2.20 0.01 -0.68 119.74 125.28 1qvg s LYS 30 Ca 0.13 -0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 1qvg s LYS 30 Cb -0.10 -2.89 -0.10 0.00 -1.51 0.00 0.00 37.83 33.22 1qvg s LYS 30 CO 0.04 -0.14 1.42 0.08 -0.36 0.00 0.00 175.35 176.39 1qvg s VAL 31 N 1.28 2.52 0.00 4.02 1.01 -0.48 -1.27 120.40 127.48 1qvg s VAL 31 Ca 0.03 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1qvg s VAL 31 Cb -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1qvg s VAL 31 CO -0.03 0.10 0.00 -0.38 0.00 0.00 0.00 175.10 174.78 1qvg n ILE 32 N 1.47 0.00 -3.79 2.22 5.41 0.52 -1.16 119.36 124.03 1qvg n ILE 32 Ca 0.04 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.74 1qvg n ILE 32 Cb 0.40 -0.55 -0.01 0.00 -0.71 0.00 0.00 39.64 38.77 1qvg n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1qvg s SER 33 N -2.56 -0.19 -0.17 4.38 0.01 -1.13 -4.85 113.70 109.19 1qvg s SER 33 Ca 0.00 -0.49 -0.00 0.00 1.31 0.00 0.00 55.95 56.77 1qvg s SER 33 Cb 0.00 0.57 0.04 0.00 0.21 0.00 0.00 66.02 66.83 1qvg s SER 33 CO 0.00 -1.05 -0.08 -0.69 0.41 0.00 0.00 173.24 171.83 1qvg s VAL 34 N -3.40 1.30 0.19 3.43 1.01 -1.26 -1.17 120.40 120.50 1qvg s VAL 34 Ca 0.12 -0.70 -0.33 0.00 0.00 0.00 0.00 61.98 61.08 1qvg s VAL 34 Cb -0.03 -1.40 -0.15 0.00 0.00 0.00 0.00 36.38 34.80 1qvg s VAL 34 CO 0.04 0.20 1.24 1.57 0.00 0.00 0.00 175.10 178.14 1qvg n HIS 35 N 4.82 1.53 -0.96 5.22 -0.00 0.04 -1.94 115.22 123.93 1qvg n HIS 35 Ca -0.13 0.61 0.00 0.00 0.46 0.00 0.00 57.72 58.66 1qvg n HIS 35 Cb 0.48 -2.33 0.00 0.00 -0.12 0.00 0.00 29.99 28.02 1qvg n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1qvg n GLY 36 N 2.09 0.12 3.66 1.57 0.00 -1.26 -4.82 105.19 106.56 1qvg n GLY 36 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1qvg n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qvg s TYR 37 N -1.27 3.28 -0.02 1.61 5.04 -0.82 -5.09 117.35 120.08 1qvg s TYR 37 Ca 0.00 0.13 0.05 0.00 -2.44 0.00 0.00 57.07 54.81 1qvg s TYR 37 Cb 0.00 -2.05 -0.01 0.00 0.35 0.00 0.00 41.96 40.25 1qvg s TYR 37 CO 0.00 0.24 -0.17 -1.54 -1.34 0.00 0.00 175.55 172.74 1qvg s SER 38 N 0.15 2.00 0.00 4.32 1.04 -1.26 -4.87 113.70 115.08 1qvg s SER 38 Ca 0.05 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1qvg s SER 38 Cb -0.12 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.65 1qvg s SER 38 CO 0.00 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1qvg n GLY 39 N 2.85 0.56 3.58 7.32 0.00 -1.26 -5.10 105.19 113.14 1qvg n GLY 39 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1qvg n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qvg s THR 40 N 3.19 0.00 0.00 2.61 -1.32 -1.26 -5.07 115.64 113.79 1qvg s THR 40 Ca 0.00 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.22 1qvg s THR 40 Cb 0.00 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.86 1qvg s THR 40 CO 0.00 0.00 0.70 1.17 -2.21 0.00 0.00 174.62 174.28 1qvg n LYS 41 N 1.54 0.00 0.00 7.08 4.81 -1.26 -0.21 118.16 130.13 1qvg n LYS 41 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1qvg n LYS 41 Cb 0.56 -0.99 0.00 0.00 0.02 0.00 0.00 35.03 34.63 1qvg n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1qvg n ASN 42 N 0.99 0.00 -4.71 3.14 3.02 -1.26 -4.99 115.26 111.45 1qvg n ASN 42 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 1qvg n ASN 42 Cb 0.05 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 1qvg n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1qvg s ARG 43 N 0.00 4.55 0.04 3.52 3.52 0.71 -5.02 118.95 126.26 1qvg s ARG 43 Ca 0.00 1.50 -0.30 0.00 -0.13 0.00 0.00 55.73 56.80 1qvg s ARG 43 Cb 0.00 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 29.92 1qvg s ARG 43 CO 0.00 -0.06 1.17 -1.01 -0.81 0.00 0.00 175.30 174.58 1qvg s HIS 44 N 0.90 3.43 -0.02 5.12 3.76 -1.26 -4.53 115.29 122.68 1qvg s HIS 44 Ca 0.53 1.35 -0.35 0.00 -0.15 0.00 0.00 55.06 56.44 1qvg s HIS 44 Cb -0.23 -3.38 -0.13 0.00 1.11 0.00 0.00 32.58 29.95 1qvg s HIS 44 CO 0.29 -1.10 1.76 -0.35 -0.85 0.00 0.00 174.74 174.48 1qvg n PRO 45 N 4.10 2.05 -4.18 8.40 -0.04 -1.26 -4.82 135.00 139.24 1qvg n PRO 45 Ca 0.09 0.75 -0.35 0.00 -0.04 0.00 0.00 63.50 63.94 1qvg n PRO 45 Cb 0.47 -2.55 -0.08 0.00 -0.04 0.00 0.00 33.50 31.30 1qvg n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1qvg s LYS 46 N 2.96 3.14 0.16 0.54 -2.85 -1.26 -1.43 119.74 121.00 1qvg s LYS 46 Ca 0.89 -0.32 0.07 0.00 -1.00 0.00 0.00 55.97 55.60 1qvg s LYS 46 Cb -0.73 -2.93 -0.04 0.00 -2.06 0.00 0.00 37.83 32.07 1qvg s LYS 46 CO 0.48 0.72 -0.15 0.00 0.10 0.00 0.00 175.35 176.51 1qvg s ALA 47 N -0.96 1.79 0.05 0.59 0.00 0.23 -4.95 121.76 118.51 1qvg s ALA 47 Ca 0.15 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 1qvg s ALA 47 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1qvg s ALA 47 CO 0.04 0.11 0.09 0.41 0.00 0.00 0.00 175.76 176.42 1qvg n GLY 48 N 0.14 2.44 3.67 0.00 0.00 -1.26 0.39 105.19 110.56 1qvg n GLY 48 Ca -0.12 -1.23 -0.47 0.00 0.00 0.00 0.00 46.02 44.20 1qvg n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qvg n LEU 49 N 0.00 3.22 0.00 0.99 4.77 -1.26 -2.20 117.00 122.53 1qvg n LEU 49 Ca -0.01 1.04 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 1qvg n LEU 49 Cb 0.08 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.76 1qvg n LEU 49 CO 0.04 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 1qvg n GLY 50 N 3.75 0.64 3.72 -0.72 0.00 -0.88 -4.99 105.19 106.72 1qvg n GLY 50 Ca 0.19 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1qvg n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qvg s ASP 51 N -2.27 5.77 -0.33 1.61 1.01 -0.93 -4.92 116.67 116.61 1qvg s ASP 51 Ca 0.00 0.22 -0.22 0.00 0.71 0.00 0.00 52.55 53.26 1qvg s ASP 51 Cb 0.00 -1.86 -0.00 0.00 1.01 0.00 0.00 42.92 42.07 1qvg s ASP 51 CO 0.00 0.30 0.71 -0.75 0.21 0.00 0.00 175.17 175.64 1qvg s LYS 52 N -0.40 3.85 0.23 8.23 2.20 -1.26 -2.74 119.74 129.84 1qvg s LYS 52 Ca 0.10 0.35 0.10 0.00 -0.36 0.00 0.00 55.97 56.15 1qvg s LYS 52 Cb -0.12 -3.76 -0.04 0.00 -1.51 0.00 0.00 37.83 32.40 1qvg s LYS 52 CO 0.02 -0.69 -0.07 0.96 -0.36 0.00 0.00 175.35 175.21 1qvg s ILE 53 N 2.83 3.20 0.02 5.43 -4.36 -0.78 -0.78 121.20 126.77 1qvg s ILE 53 Ca 0.28 -1.86 -0.17 0.00 -0.26 0.00 0.00 60.65 58.64 1qvg s ILE 53 Cb -0.14 -2.65 -0.06 0.00 1.25 0.00 0.00 42.46 40.86 1qvg s ILE 53 CO 0.14 -0.26 0.49 -0.89 0.24 0.00 0.00 174.94 174.66 1qvg s THR 54 N -2.06 4.92 0.24 8.37 2.01 -0.32 -1.38 115.64 127.43 1qvg s THR 54 Ca 0.28 1.02 0.01 0.00 0.31 0.00 0.00 61.69 63.31 1qvg s THR 54 Cb -0.07 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 1qvg s THR 54 CO 0.17 0.53 0.10 -0.69 -0.69 0.00 0.00 174.62 174.05 1qvg s VAL 55 N -0.86 0.38 -0.01 3.82 1.01 0.16 -0.36 120.40 124.54 1qvg s VAL 55 Ca 0.26 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.25 1qvg s VAL 55 Cb -0.18 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.64 1qvg s VAL 55 CO 0.15 -0.02 -0.03 -0.94 0.00 0.00 0.00 175.10 174.27 1qvg s SER 56 N -3.26 0.45 -0.32 3.32 1.04 -0.40 -1.47 113.70 113.06 1qvg s SER 56 Ca 0.38 -0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.46 1qvg s SER 56 Cb 0.08 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1qvg s SER 56 CO 0.13 -0.01 1.28 -0.69 0.98 0.00 0.00 173.24 174.94 1qvg s VAL 57 N 0.31 4.16 -0.12 5.02 1.01 -0.92 -0.81 120.40 129.04 1qvg s VAL 57 Ca -0.03 1.30 -0.22 0.00 0.00 0.00 0.00 61.98 63.03 1qvg s VAL 57 Cb -0.06 -4.20 -0.26 0.00 0.00 0.00 0.00 36.38 31.86 1qvg s VAL 57 CO -0.01 -0.51 0.62 0.74 0.00 0.00 0.00 175.10 175.94 1qvg h THR 58 N 5.98 1.32 -4.00 3.92 2.02 -1.29 -2.36 112.91 118.51 1qvg h THR 58 Ca -0.26 -2.37 -0.53 0.00 0.77 0.00 0.00 66.41 64.02 1qvg h THR 58 Cb 1.09 2.91 -0.23 0.00 -1.74 0.00 0.00 68.15 70.18 1qvg h THR 58 CO 1.04 0.60 -0.82 -0.54 0.37 0.00 0.00 175.52 176.17 1qvg s LYS 59 N -2.37 1.13 0.00 6.66 1.02 -0.96 -4.83 119.74 120.39 1qvg s LYS 59 Ca -0.20 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 54.75 1qvg s LYS 59 Cb 0.02 -1.30 0.00 0.00 -0.52 0.00 0.00 37.83 36.03 1qvg s LYS 59 CO 0.72 0.31 0.00 0.41 -0.92 0.00 0.00 175.35 175.88 1qvg n GLY 60 N 1.38 0.83 3.72 -3.33 0.00 -1.26 -0.79 105.19 105.74 1qvg n GLY 60 Ca -0.19 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 1qvg n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qvg s THR 61 N -2.95 2.45 0.33 2.61 -4.23 0.17 -4.71 115.64 109.30 1qvg s THR 61 Ca 0.00 0.32 0.16 0.00 -1.18 0.00 0.00 61.69 60.99 1qvg s THR 61 Cb 0.00 -3.21 0.33 0.00 1.34 0.00 0.00 72.50 70.97 1qvg s THR 61 CO 0.00 0.03 1.44 -2.65 -0.54 0.00 0.00 174.62 172.89 1qvg n PRO 62 N 3.93 -0.06 0.11 3.99 -0.02 -1.26 0.18 135.00 141.87 1qvg n PRO 62 Ca 0.14 1.28 -0.01 0.00 -2.02 0.00 0.00 63.50 62.90 1qvg n PRO 62 Cb 0.38 -2.24 0.27 0.00 -0.02 0.00 0.00 33.50 31.89 1qvg n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1qvg h GLU 63 N 0.00 0.20 0.00 -0.52 4.39 -1.97 -3.11 114.58 113.56 1qvg h GLU 63 Ca 0.73 -0.08 -0.17 0.00 0.34 0.00 0.00 59.36 60.17 1qvg h GLU 63 Cb 1.86 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.47 1qvg h GLU 63 CO -0.73 0.53 -1.26 0.52 -1.16 0.00 0.00 179.01 176.91 1qvg h MET 64 N 0.17 0.00 -6.93 2.33 2.86 0.16 -3.47 114.93 110.06 1qvg h MET 64 Ca 0.02 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.10 1qvg h MET 64 Cb 0.72 0.00 0.15 0.00 0.06 0.00 0.00 31.60 32.53 1qvg h MET 64 CO 0.05 0.40 0.33 0.54 1.06 0.00 0.00 176.91 179.29 1qvg n ARG 65 N -3.00 1.17 -0.79 1.72 1.74 0.05 -2.68 116.66 114.87 1qvg n ARG 65 Ca -0.08 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1qvg n ARG 65 Cb 0.85 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1qvg n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1qvg n ARG 66 N -1.12 -0.48 -2.93 5.56 1.74 -0.89 -4.96 116.66 113.59 1qvg n ARG 66 Ca 0.13 0.12 -0.40 0.00 -0.77 0.00 0.00 57.85 56.93 1qvg n ARG 66 Cb 0.46 -4.02 -0.05 0.00 -1.02 0.00 0.00 32.46 27.84 1qvg n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1qvg s GLN 67 N -0.91 4.51 -0.58 5.56 -0.21 -1.09 -4.76 119.66 122.18 1qvg s GLN 67 Ca 0.00 1.12 -0.21 0.00 0.02 0.00 0.00 55.36 56.29 1qvg s GLN 67 Cb 0.00 -3.40 0.07 0.00 1.00 0.00 0.00 33.01 30.68 1qvg s GLN 67 CO 0.00 0.17 0.79 0.08 -2.12 0.00 0.00 175.29 174.21 1qvg s VAL 68 N 0.32 4.64 0.06 1.09 1.01 -1.26 -2.17 120.40 124.10 1qvg s VAL 68 Ca 0.41 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1qvg s VAL 68 Cb -0.20 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.68 1qvg s VAL 68 CO 0.23 -1.13 0.02 0.18 0.00 0.00 0.00 175.10 174.41 1qvg n LEU 69 N 6.82 0.00 -4.34 3.92 4.77 -0.54 -4.93 117.00 122.69 1qvg n LEU 69 Ca -0.06 -0.36 -0.28 0.00 -0.03 0.00 0.00 56.01 55.29 1qvg n LEU 69 Cb 0.45 0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.42 1qvg n LEU 69 CO 0.59 -0.17 -0.55 -0.70 -1.33 0.00 0.00 177.39 175.23 1qvg s GLU 70 N -2.24 1.42 0.38 3.23 2.12 -1.26 -0.67 118.70 121.68 1qvg s GLU 70 Ca 0.02 -1.22 -0.07 0.00 0.36 0.00 0.00 54.97 54.06 1qvg s GLU 70 Cb -0.00 -1.77 0.03 0.00 0.26 0.00 0.00 34.13 32.65 1qvg s GLU 70 CO 0.01 0.43 0.62 0.00 -0.54 0.00 0.00 175.26 175.78 1qvg s ALA 71 N -1.00 0.25 0.02 6.30 0.00 -0.48 0.03 121.76 126.88 1qvg s ALA 71 Ca 0.11 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.83 1qvg s ALA 71 Cb -0.10 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 23.96 1qvg s ALA 71 CO 0.04 -0.87 -0.10 0.08 0.00 0.00 0.00 175.76 174.91 1qvg s VAL 72 N -2.57 0.78 -0.62 0.00 1.01 -0.91 -1.86 120.40 116.23 1qvg s VAL 72 Ca 0.25 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 1qvg s VAL 72 Cb -0.02 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.67 1qvg s VAL 72 CO 0.18 0.02 1.26 -0.69 0.00 0.00 0.00 175.10 175.88 1qvg s VAL 73 N -0.62 3.88 -0.07 2.92 1.01 -1.11 -0.60 120.40 125.82 1qvg s VAL 73 Ca 0.00 0.72 0.13 0.00 0.00 0.00 0.00 61.98 62.83 1qvg s VAL 73 Cb -0.06 -4.73 -0.23 0.00 0.00 0.00 0.00 36.38 31.36 1qvg s VAL 73 CO 0.00 -1.46 0.57 0.52 0.00 0.00 0.00 175.10 174.74 1qvg n VAL 74 N 6.63 1.58 -3.79 2.92 0.31 0.14 -2.08 118.33 124.04 1qvg n VAL 74 Ca 0.08 -0.80 -0.13 0.00 -0.01 0.00 0.00 64.34 63.48 1qvg n VAL 74 Cb 0.49 -0.96 -0.10 0.00 -0.91 0.00 0.00 33.84 32.37 1qvg n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1qvg s ARG 75 N -2.58 0.54 0.04 5.55 0.52 -0.68 -3.22 118.95 119.12 1qvg s ARG 75 Ca -0.06 -0.10 -0.07 0.00 -0.52 0.00 0.00 55.73 54.98 1qvg s ARG 75 Cb 0.08 0.24 -0.01 0.00 0.52 0.00 0.00 34.95 35.78 1qvg s ARG 75 CO 0.82 -0.13 0.13 1.14 0.02 0.00 0.00 175.30 177.29 1qvg s GLN 76 N -0.98 0.64 0.14 3.54 -2.07 -1.13 0.73 119.66 120.54 1qvg s GLN 76 Ca -0.11 -0.73 0.01 0.00 -1.82 0.00 0.00 55.36 52.72 1qvg s GLN 76 Cb -0.05 0.26 -0.08 0.00 -1.09 0.00 0.00 33.01 32.05 1qvg s GLN 76 CO 0.03 -0.17 1.32 0.00 -1.32 0.00 0.00 175.29 175.15 1qvg h ARG 77 N 3.54 0.20 -6.74 9.60 3.08 -1.77 -1.60 114.38 120.70 1qvg h ARG 77 Ca -0.32 -0.25 -0.51 0.00 0.07 0.00 0.00 59.98 58.97 1qvg h ARG 77 Cb 1.19 0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.32 1qvg h ARG 77 CO 0.50 1.01 0.47 0.21 -1.07 0.00 0.00 179.97 181.09 1qvg s LYS 78 N -3.07 4.64 0.98 0.04 2.47 -1.26 -4.18 119.74 119.36 1qvg s LYS 78 Ca -0.03 1.74 -0.13 0.00 -1.56 0.00 0.00 55.97 55.99 1qvg s LYS 78 Cb 0.10 -3.24 0.09 0.00 -1.46 0.00 0.00 37.83 33.32 1qvg s LYS 78 CO 0.84 0.18 0.56 -2.30 0.16 0.00 0.00 175.35 174.79 1qvg n PRO 79 N 1.74 -0.65 -3.96 4.03 -0.02 -1.26 -4.75 135.00 130.12 1qvg n PRO 79 Ca 0.00 -0.15 -0.09 0.00 -2.02 0.00 0.00 63.50 61.25 1qvg n PRO 79 Cb 0.46 -1.97 -0.10 0.00 -0.02 0.00 0.00 33.50 31.86 1qvg n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1qvg s ILE 80 N -2.43 0.13 -0.27 4.25 -4.36 -0.54 -4.11 121.20 113.87 1qvg s ILE 80 Ca 0.60 -1.05 -0.06 0.00 -0.26 0.00 0.00 60.65 59.88 1qvg s ILE 80 Cb -0.21 -0.64 0.01 0.00 1.25 0.00 0.00 42.46 42.87 1qvg s ILE 80 CO 0.65 -0.58 0.04 -0.60 0.24 0.00 0.00 174.94 174.70 1qvg s ARG 81 N -2.11 3.15 0.48 0.37 3.52 0.48 -1.04 118.95 123.79 1qvg s ARG 81 Ca -0.09 -0.81 -0.11 0.00 -0.13 0.00 0.00 55.73 54.59 1qvg s ARG 81 Cb -0.05 -3.27 -0.06 0.00 -1.56 0.00 0.00 34.95 30.02 1qvg s ARG 81 CO -0.03 -0.38 0.87 1.03 -0.81 0.00 0.00 175.30 175.98 1qvg s ARG 82 N 1.48 3.76 0.50 5.12 0.52 -0.92 -1.15 118.95 128.27 1qvg s ARG 82 Ca 0.03 0.60 0.35 0.00 -0.52 0.00 0.00 55.73 56.19 1qvg s ARG 82 Cb -0.17 -2.27 1.48 0.00 0.52 0.00 0.00 34.95 34.52 1qvg s ARG 82 CO 0.01 -0.21 1.74 -1.35 0.02 0.00 0.00 175.30 175.50 1qvg h PRO 83 N 0.76 0.08 -0.10 3.54 0.11 -1.90 0.44 132.00 134.94 1qvg h PRO 83 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qvg h PRO 83 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1qvg h PRO 83 CO 0.63 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 1qvg n ASP 84 N -4.29 0.57 0.00 -2.05 5.75 -1.26 -4.89 116.55 110.37 1qvg n ASP 84 Ca 0.30 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1qvg n ASP 84 Cb 1.33 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 41.35 1qvg n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qvg n GLY 85 N 0.70 2.62 3.47 6.12 0.00 0.16 -5.03 105.19 113.22 1qvg n GLY 85 Ca 0.05 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1qvg n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qvg n THR 86 N 0.00 1.21 -4.11 2.61 -1.04 -1.26 -4.62 114.28 107.08 1qvg n THR 86 Ca 0.00 -0.30 -0.22 0.00 -2.04 0.00 0.00 64.05 61.48 1qvg n THR 86 Cb 0.00 -0.75 -0.05 0.00 -1.82 0.00 0.00 70.33 67.71 1qvg n THR 86 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1qvg s ARG 87 N -3.22 2.72 -0.08 -2.82 1.81 -1.26 -2.16 118.95 113.95 1qvg s ARG 87 Ca 0.63 -1.20 -0.03 0.00 -1.72 0.00 0.00 55.73 53.41 1qvg s ARG 87 Cb -0.29 -2.44 0.04 0.00 -0.45 0.00 0.00 34.95 31.81 1qvg s ARG 87 CO 0.60 0.33 0.16 0.08 -0.68 0.00 0.00 175.30 175.79 1qvg s VAL 88 N -2.22 -0.12 0.13 3.52 1.01 -0.21 -4.91 120.40 117.60 1qvg s VAL 88 Ca 0.34 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.58 1qvg s VAL 88 Cb -0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1qvg s VAL 88 CO 0.24 0.10 -0.09 -1.59 0.00 0.00 0.00 175.10 173.76 1qvg s LYS 89 N 1.52 0.96 0.45 2.72 -2.85 -1.26 -1.46 119.74 119.83 1qvg s LYS 89 Ca -0.06 -1.40 0.03 0.00 -1.00 0.00 0.00 55.97 53.54 1qvg s LYS 89 Cb -0.12 -0.44 0.03 0.00 -2.06 0.00 0.00 37.83 35.24 1qvg s LYS 89 CO -0.06 0.03 0.24 1.19 0.10 0.00 0.00 175.35 176.85 1qvg n PHE 90 N -0.13 -0.17 0.08 1.78 3.01 -0.60 -5.02 117.46 116.39 1qvg n PHE 90 Ca -0.11 -2.02 -0.05 0.00 1.01 0.00 0.00 57.45 56.28 1qvg n PHE 90 Cb 0.61 -0.35 -0.09 0.00 -0.01 0.00 0.00 39.48 39.64 1qvg n PHE 90 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1qvg h GLU 91 N 0.00 0.00 0.00 -1.08 4.22 -1.93 -3.40 114.58 112.39 1qvg h GLU 91 Ca -0.32 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.12 1qvg h GLU 91 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1qvg h GLU 91 CO 0.50 0.88 0.00 -0.40 -2.18 0.00 0.00 179.01 177.81 1qvg n ASP 92 N -3.31 0.00 -4.43 1.04 5.75 -1.26 -4.90 116.55 109.44 1qvg n ASP 92 Ca 0.00 -1.00 -0.33 0.00 -0.01 0.00 0.00 54.79 53.45 1qvg n ASP 92 Cb 0.90 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.85 1qvg n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1qvg s ASN 93 N -0.99 4.26 0.02 -1.12 0.01 -1.26 -2.83 114.94 113.03 1qvg s ASN 93 Ca 0.00 -0.25 -0.13 0.00 -0.71 0.00 0.00 52.86 51.77 1qvg s ASN 93 Cb 0.00 -1.57 0.02 0.00 0.41 0.00 0.00 41.25 40.11 1qvg s ASN 93 CO 0.00 0.19 0.28 0.00 -1.51 0.00 0.00 177.10 176.06 1qvg s ALA 94 N 0.19 -0.64 0.05 0.60 0.00 0.22 -1.47 121.76 120.72 1qvg s ALA 94 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1qvg s ALA 94 Cb -0.15 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1qvg s ALA 94 CO 0.04 -0.34 -0.04 0.00 0.00 0.00 0.00 175.76 175.42 1qvg s ALA 95 N -2.05 0.53 -0.19 0.00 0.00 0.12 0.28 121.76 120.44 1qvg s ALA 95 Ca -0.09 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.84 1qvg s ALA 95 Cb -0.03 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.31 1qvg s ALA 95 CO -0.00 -0.25 -0.16 0.08 0.00 0.00 0.00 175.76 175.42 1qvg s VAL 96 N -3.00 1.92 0.19 0.00 1.01 0.23 -0.58 120.40 120.17 1qvg s VAL 96 Ca 0.01 -1.00 -0.32 0.00 0.00 0.00 0.00 61.98 60.67 1qvg s VAL 96 Cb 0.01 -1.83 -0.16 0.00 0.00 0.00 0.00 36.38 34.41 1qvg s VAL 96 CO -0.06 0.38 1.09 -0.38 0.00 0.00 0.00 175.10 176.13 1qvg n ILE 97 N 4.63 1.10 -4.36 2.22 5.41 -1.26 -2.14 119.36 124.97 1qvg n ILE 97 Ca -0.18 -0.28 -0.18 0.00 1.00 0.00 0.00 62.75 63.11 1qvg n ILE 97 Cb 0.48 -0.77 -0.10 0.00 -0.71 0.00 0.00 39.64 38.53 1qvg n ILE 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1qvg s VAL 98 N -0.37 1.07 0.00 1.39 0.11 0.10 -2.29 120.40 120.41 1qvg s VAL 98 Ca 0.71 -2.03 0.00 0.00 -2.93 0.00 0.00 61.98 57.73 1qvg s VAL 98 Cb -0.85 -2.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 1qvg s VAL 98 CO 0.54 -0.24 0.00 -0.90 -3.33 0.00 0.00 175.10 171.16 1qvg n ASP 99 N -0.48 0.83 -0.31 3.54 5.68 -1.10 -4.10 116.55 120.60 1qvg n ASP 99 Ca -0.04 -0.79 0.05 0.00 -0.50 0.00 0.00 54.79 53.51 1qvg n ASP 99 Cb 0.64 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.87 1qvg n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1qvg h GLU 100 N 0.00 0.98 -0.01 0.11 5.08 -1.98 -0.65 114.58 118.11 1qvg h GLU 100 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1qvg h GLU 100 Cb 0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1qvg h GLU 100 CO 0.00 0.65 -0.02 0.09 -1.00 0.00 0.00 179.01 178.73 1qvg n ASN 101 N -4.51 1.07 -0.37 1.42 3.02 -1.26 -4.91 115.26 109.72 1qvg n ASN 101 Ca 0.15 -1.31 -0.03 0.00 -0.03 0.00 0.00 54.58 53.36 1qvg n ASN 101 Cb 0.24 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1qvg n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qvg n GLU 102 N -0.20 -0.27 -3.77 3.52 1.02 -0.25 -5.03 120.64 115.67 1qvg n GLU 102 Ca 0.20 0.15 -0.36 0.00 -0.02 0.00 0.00 57.16 57.12 1qvg n GLU 102 Cb 0.29 -3.80 -0.10 0.00 -0.02 0.00 0.00 31.44 27.81 1qvg n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1qvg s ASP 103 N -2.87 5.76 -0.31 1.62 1.01 -1.26 -4.49 116.67 116.14 1qvg s ASP 103 Ca 0.00 0.02 -0.43 0.00 0.71 0.00 0.00 52.55 52.85 1qvg s ASP 103 Cb -0.00 -2.03 -0.19 0.00 1.01 0.00 0.00 42.92 41.71 1qvg s ASP 103 CO 0.00 0.06 1.51 -0.81 0.21 0.00 0.00 175.17 176.15 1qvg n PRO 104 N 4.31 0.37 0.31 8.23 -0.04 -1.26 -2.73 135.00 144.19 1qvg n PRO 104 Ca -0.16 0.14 0.18 0.00 -0.04 0.00 0.00 63.50 63.62 1qvg n PRO 104 Cb 0.52 -1.69 0.99 0.00 -0.04 0.00 0.00 33.50 33.28 1qvg n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1qvg h ARG 105 N 5.12 0.00 0.00 0.54 2.43 -1.75 -3.44 114.38 117.28 1qvg h ARG 105 Ca -0.46 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.54 1qvg h ARG 105 Cb 1.37 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.94 1qvg h ARG 105 CO 0.90 0.02 0.01 0.41 -1.51 0.00 0.00 179.97 179.80 1qvg n GLY 106 N -1.05 1.32 0.19 2.80 0.00 -1.26 -4.93 105.19 102.26 1qvg n GLY 106 Ca -0.03 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 1qvg n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qvg n THR 107 N -1.67 1.02 -5.08 2.61 -1.04 -1.26 -5.02 114.28 103.84 1qvg n THR 107 Ca 0.06 -0.35 -0.29 0.00 -2.04 0.00 0.00 64.05 61.43 1qvg n THR 107 Cb 0.21 -1.31 -0.16 0.00 -1.82 0.00 0.00 70.33 67.24 1qvg n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1qvg s GLU 108 N -2.35 2.06 -0.34 -2.82 2.02 -1.26 -5.01 118.70 111.00 1qvg s GLU 108 Ca -0.25 -0.78 -0.17 0.00 0.02 0.00 0.00 54.97 53.79 1qvg s GLU 108 Cb 0.07 -1.83 -0.01 0.00 0.10 0.00 0.00 34.13 32.46 1qvg s GLU 108 CO 0.38 0.38 0.46 -0.51 0.02 0.00 0.00 175.26 175.99 1qvg s LEU 109 N -0.24 4.35 0.22 1.80 1.43 -1.26 -2.02 118.68 122.95 1qvg s LEU 109 Ca 0.01 -0.05 -0.26 0.00 -1.03 0.00 0.00 54.13 52.79 1qvg s LEU 109 Cb -0.11 -2.50 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 1qvg s LEU 109 CO 0.02 -0.41 0.85 -0.54 0.23 0.00 0.00 176.35 176.49 1qvg s LYS 110 N 2.25 4.64 0.10 1.70 1.02 -1.13 -4.45 119.74 123.88 1qvg s LYS 110 Ca 0.16 1.27 0.00 0.00 0.02 0.00 0.00 55.97 57.42 1qvg s LYS 110 Cb -0.16 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 1qvg s LYS 110 CO 0.12 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.47 1qvg n GLY 111 N 1.35 -2.00 3.47 -3.33 0.00 -1.26 -4.67 105.19 98.75 1qvg n GLY 111 Ca -0.03 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 1qvg n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qvg n PRO 112 N -2.73 -2.69 -3.69 1.61 -0.04 -1.26 -4.56 135.00 121.63 1qvg n PRO 112 Ca -0.01 -1.76 -0.14 0.00 -0.04 0.00 0.00 63.50 61.55 1qvg n PRO 112 Cb 0.14 -1.53 -0.09 0.00 -0.04 0.00 0.00 33.50 31.98 1qvg n PRO 112 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1qvg s ILE 113 N -3.12 0.01 0.60 0.52 1.01 -0.88 -4.86 121.20 114.49 1qvg s ILE 113 Ca 0.70 -0.10 -0.17 0.00 0.00 0.00 0.00 60.65 61.07 1qvg s ILE 113 Cb -0.06 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 1qvg s ILE 113 CO 0.52 -0.06 1.13 0.00 0.00 0.00 0.00 174.94 176.54 1qvg s ALA 114 N -0.28 2.56 0.12 9.38 0.00 -1.20 -1.21 121.76 131.13 1qvg s ALA 114 Ca -0.04 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 1qvg s ALA 114 Cb -0.03 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1qvg s ALA 114 CO 0.03 -1.07 1.47 0.07 0.00 0.00 0.00 175.76 176.26 1qvg h ARG 115 N 0.61 0.80 -1.02 0.00 0.11 -1.86 -3.04 114.38 109.98 1qvg h ARG 115 Ca -0.49 -0.38 0.29 0.00 0.10 0.00 0.00 59.98 59.50 1qvg h ARG 115 Cb 1.26 -0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.29 1qvg h ARG 115 CO 0.55 1.01 0.73 0.93 0.10 0.00 0.00 179.97 183.29 1qvg h GLU 116 N 0.58 0.03 -0.16 0.08 3.07 -1.88 0.45 114.58 116.76 1qvg h GLU 116 Ca 0.07 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.90 1qvg h GLU 116 Cb 0.82 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 1qvg h GLU 116 CO 0.07 0.02 -0.04 0.28 -1.40 0.00 0.00 179.01 177.94 1qvg h VAL 117 N 0.03 1.13 0.16 3.13 2.07 -1.86 -2.96 116.25 117.95 1qvg h VAL 117 Ca 0.49 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1qvg h VAL 117 Cb 1.90 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 1qvg h VAL 117 CO -0.02 0.17 -0.31 0.00 0.02 0.00 0.00 177.57 177.43 1qvg h ALA 118 N 1.74 -0.88 0.00 1.67 0.00 -0.25 -0.72 119.26 120.81 1qvg h ALA 118 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qvg h ALA 118 Cb 0.23 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1qvg h ALA 118 CO 0.01 -0.94 0.11 1.04 0.00 0.00 0.00 179.25 179.47 1qvg n GLN 119 N -4.22 0.00 0.00 0.00 6.02 -1.12 -1.53 117.38 116.53 1qvg n GLN 119 Ca -0.06 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1qvg n GLN 119 Cb 0.26 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.90 1qvg n GLN 119 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1qvg n ARG 120 N -0.77 0.00 -3.73 -1.09 1.74 -0.83 -4.88 116.66 107.11 1qvg n ARG 120 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1qvg n ARG 120 Cb 0.11 -0.75 -0.11 0.00 -1.02 0.00 0.00 32.46 30.70 1qvg n ARG 120 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1qvg n PHE 121 N -2.44 2.87 0.00 -1.55 0.99 -0.34 -4.99 117.46 111.99 1qvg n PHE 121 Ca 0.00 -4.17 0.00 0.00 -0.00 0.00 0.00 57.45 53.28 1qvg n PHE 121 Cb 0.39 -0.52 0.00 0.00 -1.00 0.00 0.00 39.48 38.34 1qvg n PHE 121 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1qvg n GLY 122 N 1.77 -3.13 0.44 1.37 0.00 -1.23 -0.62 105.19 103.79 1qvg n GLY 122 Ca 0.23 0.54 0.23 0.00 0.00 0.00 0.00 46.02 47.03 1qvg n GLY 122 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qvg h SER 123 N 0.00 0.00 0.01 1.61 4.64 -1.93 0.90 113.55 118.78 1qvg h SER 123 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1qvg h SER 123 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qvg h SER 123 CO 0.00 0.00 -0.20 0.58 -0.87 0.00 0.00 176.83 176.34 1qvg h VAL 124 N 0.00 1.61 0.20 0.95 2.07 -1.35 -3.26 116.25 116.48 1qvg h VAL 124 Ca 0.30 -2.07 -0.00 0.00 0.82 0.00 0.00 66.70 65.75 1qvg h VAL 124 Cb 1.72 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 34.45 1qvg h VAL 124 CO -0.00 0.56 -0.15 0.00 0.02 0.00 0.00 177.57 177.99 1qvg h ALA 125 N 0.18 -0.35 0.00 1.67 0.00 0.29 -1.77 119.26 119.28 1qvg h ALA 125 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qvg h ALA 125 Cb 1.02 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1qvg h ALA 125 CO 0.04 -0.71 0.00 -1.13 0.00 0.00 0.00 179.25 177.45 1qvg n SER 126 N -5.28 0.00 -0.03 0.00 3.41 0.23 -0.13 113.62 111.82 1qvg n SER 126 Ca -0.08 -0.41 0.01 0.00 -0.26 0.00 0.00 58.87 58.13 1qvg n SER 126 Cb 0.19 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1qvg n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qvg n ALA 127 N -0.54 2.34 -1.77 7.33 0.00 -0.68 -5.03 120.51 122.16 1qvg n ALA 127 Ca 0.00 -0.21 -0.36 0.00 0.00 0.00 0.00 53.44 52.87 1qvg n ALA 127 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 19.45 19.38 1qvg n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qvg s ALA 128 N -0.85 2.80 -0.17 0.00 0.00 0.81 -4.08 121.76 120.27 1qvg s ALA 128 Ca 0.01 0.85 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 1qvg s ALA 128 Cb 0.02 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.66 1qvg s ALA 128 CO 0.06 -0.71 0.04 1.15 0.00 0.00 0.00 175.76 176.31 1qvg h THR 129 N 1.44 0.48 -3.43 0.00 2.02 -1.83 -3.47 112.91 108.12 1qvg h THR 129 Ca -0.50 -1.59 -0.67 0.00 0.77 0.00 0.00 66.41 64.43 1qvg h THR 129 Cb 1.26 1.14 -0.33 0.00 -1.74 0.00 0.00 68.15 68.48 1qvg h THR 129 CO 0.58 0.16 -0.87 -0.04 0.37 0.00 0.00 175.52 175.72 1qvg s MET 130 N -2.26 2.86 -0.26 6.66 -1.94 -1.26 -5.11 119.30 117.99 1qvg s MET 130 Ca -0.21 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 52.94 1qvg s MET 130 Cb 0.04 -2.20 0.07 0.00 2.01 0.00 0.00 34.83 34.75 1qvg s MET 130 CO 0.40 0.19 -0.01 0.42 -0.01 0.00 0.00 175.02 176.01 1qvg s ILE 131 N 0.31 1.46 -2.19 2.53 1.01 -1.26 -2.06 121.20 120.99 1qvg s ILE 131 Ca -0.17 -1.35 0.31 0.00 0.00 0.00 0.00 60.65 59.44 1qvg s ILE 131 Cb -0.17 -1.84 0.78 0.00 0.01 0.00 0.00 42.46 41.23 1qvg s ILE 131 CO 0.08 -0.26 2.05 0.52 0.00 0.00 0.00 174.94 177.33