#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq n ALA 2 N 0.00 0.00 -2.92 3.17 0.00 -1.26 -5.08 120.51 114.42 2hgq n ALA 2 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 2hgq n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2hgq n ALA 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2hgq s HIS 3 N -1.40 2.98 -0.27 0.00 5.04 -1.26 -4.93 115.29 115.45 2hgq s HIS 3 Ca 0.00 -1.12 -0.04 0.00 -1.54 0.00 0.00 55.06 52.36 2hgq s HIS 3 Cb 0.00 -4.27 0.09 0.00 0.04 0.00 0.00 32.58 28.44 2hgq s HIS 3 CO 0.00 -1.52 0.12 -1.59 -2.34 0.00 0.00 174.74 169.40 2hgq s LYS 4 N 3.09 0.24 3.01 2.88 -2.85 -1.26 -5.11 119.74 119.73 2hgq s LYS 4 Ca 0.28 -0.52 0.00 0.00 -1.00 0.00 0.00 55.97 54.74 2hgq s LYS 4 Cb -0.10 -1.38 0.00 0.00 -2.06 0.00 0.00 37.83 34.29 2hgq s LYS 4 CO -0.03 -0.95 0.00 1.17 0.10 0.00 0.00 175.35 175.64 2hgq n LYS 5 N 5.20 0.00 0.00 1.78 4.81 -1.26 -4.96 118.16 123.73 2hgq n LYS 5 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2hgq n LYS 5 Cb 0.43 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 2hgq n LYS 5 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hgq n GLY 6 N 0.00 2.20 3.64 3.14 0.00 -1.26 -5.16 105.19 107.76 2hgq n GLY 6 Ca 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2hgq n GLY 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgq n LEU 7 N 0.00 3.86 -2.67 0.99 4.32 -1.26 -4.98 117.00 117.26 2hgq n LEU 7 Ca 0.00 0.90 -0.04 0.00 -0.02 0.00 0.00 56.01 56.85 2hgq n LEU 7 Cb 0.00 -1.42 0.05 0.00 -1.62 0.00 0.00 43.42 40.43 2hgq n LEU 7 CO 0.00 -1.48 0.55 0.61 -1.22 0.00 0.00 177.39 175.84 2hgq n GLY 8 N 1.14 -1.75 2.73 -0.72 0.00 -1.26 -5.07 105.19 100.26 2hgq n GLY 8 Ca 0.12 1.17 -0.25 0.00 0.00 0.00 0.00 46.02 47.06 2hgq n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hgq n SER 9 N 2.07 3.91 -4.32 1.61 3.41 -1.26 -5.07 113.62 113.97 2hgq n SER 9 Ca 0.07 -3.56 -0.33 0.00 -0.26 0.00 0.00 58.87 54.78 2hgq n SER 9 Cb 0.68 -0.55 0.13 0.00 -0.26 0.00 0.00 64.21 64.21 2hgq n SER 9 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2hgq n THR 10 N -0.22 0.00 -3.75 6.66 -2.24 -1.26 -4.94 114.28 108.53 2hgq n THR 10 Ca 0.31 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.71 2hgq n THR 10 Cb 0.50 -0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 68.05 2hgq n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hgq s ARG 11 N -3.38 0.09 -0.85 -0.78 1.70 -1.26 -5.05 118.95 109.43 2hgq s ARG 11 Ca 0.54 0.36 0.01 0.00 -0.47 0.00 0.00 55.73 56.18 2hgq s ARG 11 Cb -0.16 -0.17 0.29 0.00 -0.57 0.00 0.00 34.95 34.33 2hgq s ARG 11 CO 0.68 -0.16 1.16 0.09 -1.08 0.00 0.00 175.30 175.99 2hgq n ASN 12 N 4.17 5.22 -4.35 -2.89 4.13 -1.26 -4.99 115.26 115.30 2hgq n ASN 12 Ca -0.26 -3.48 -0.38 0.00 1.68 0.00 0.00 54.58 52.14 2hgq n ASN 12 Cb 0.52 -0.94 -0.03 0.00 -1.54 0.00 0.00 39.78 37.78 2hgq n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2hgq n GLY 13 N 0.85 2.28 3.55 7.41 0.00 -1.26 -4.91 105.19 113.12 2hgq n GLY 13 Ca 0.30 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 2hgq n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgq s ARG 14 N 4.96 2.40 -0.19 1.61 1.81 -1.26 -5.12 118.95 123.16 2hgq s ARG 14 Ca 0.58 -0.81 -0.28 0.00 -1.72 0.00 0.00 55.73 53.51 2hgq s ARG 14 Cb 0.05 -2.40 0.11 0.00 -0.45 0.00 0.00 34.95 32.26 2hgq s ARG 14 CO 0.08 0.58 0.92 0.34 -0.68 0.00 0.00 175.30 176.54 2hgq s ASP 15 N -1.45 -0.49 -0.16 0.23 2.15 -1.26 -5.16 116.67 110.54 2hgq s ASP 15 Ca 0.17 0.73 -0.04 0.00 0.43 0.00 0.00 52.55 53.83 2hgq s ASP 15 Cb -0.11 0.66 0.07 0.00 -0.30 0.00 0.00 42.92 43.25 2hgq s ASP 15 CO 0.07 -0.32 0.20 -0.94 -0.17 0.00 0.00 175.17 174.01 2hgq s SER 16 N -0.52 1.12 0.79 -0.34 1.04 -1.26 -5.14 113.70 109.38 2hgq s SER 16 Ca -0.02 0.02 -0.15 0.00 0.48 0.00 0.00 55.95 56.29 2hgq s SER 16 Cb -0.02 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 2hgq s SER 16 CO 0.00 -0.29 0.53 1.67 0.98 0.00 0.00 173.24 176.13 2hgq n GLN 17 N 5.32 0.16 -0.62 4.02 -0.06 -1.26 -4.93 117.38 120.00 2hgq n GLN 17 Ca -0.05 0.10 -0.28 0.00 -2.00 0.00 0.00 57.00 54.76 2hgq n GLN 17 Cb 0.50 -1.87 0.25 0.00 -4.06 0.00 0.00 30.24 25.06 2hgq n GLN 17 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2hgq s ALA 18 N -2.04 -0.39 0.00 1.69 0.00 -1.26 -5.04 121.76 114.72 2hgq s ALA 18 Ca 0.64 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2hgq s ALA 18 Cb -0.31 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2hgq s ALA 18 CO 0.60 -3.86 0.00 1.17 0.00 0.00 0.00 175.76 173.67 2hgq n LYS 19 N -4.94 0.00 0.00 0.00 4.81 -1.26 -5.18 118.16 111.58 2hgq n LYS 19 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2hgq n LYS 19 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 2hgq n LYS 19 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2hgq n ARG 20 N 0.00 0.00 0.00 1.64 3.00 -1.26 -5.17 116.66 114.87 2hgq n ARG 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2hgq n ARG 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2hgq n ARG 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2hgq n LEU 21 N 0.00 0.00 0.00 0.55 7.94 -1.26 -5.10 117.00 119.13 2hgq n LEU 21 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2hgq n LEU 21 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2hgq n LEU 21 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 2hgq n GLY 22 N 0.00 -2.21 3.56 -3.96 0.00 0.18 -4.74 105.19 98.02 2hgq n GLY 22 Ca 0.00 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 2hgq n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgq s VAL 23 N -0.21 3.55 -0.16 1.61 1.01 -1.26 -1.12 120.40 123.82 2hgq s VAL 23 Ca 0.00 -0.32 0.14 0.00 0.00 0.00 0.00 61.98 61.80 2hgq s VAL 23 Cb 0.00 -4.28 0.36 0.00 0.00 0.00 0.00 36.38 32.46 2hgq s VAL 23 CO 0.00 -1.21 1.18 0.29 0.00 0.00 0.00 175.10 175.36 2hgq n LYS 24 N 8.94 1.35 -3.35 2.72 5.02 -0.34 -4.97 118.16 127.54 2hgq n LYS 24 Ca 0.33 -2.90 -0.11 0.00 -2.02 0.00 0.00 58.31 53.61 2hgq n LYS 24 Cb 0.49 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 2hgq n LYS 24 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2hgq s ARG 25 N -2.84 0.36 0.11 1.97 1.81 -0.79 -4.81 118.95 114.76 2hgq s ARG 25 Ca 0.34 0.21 -0.35 0.00 -1.72 0.00 0.00 55.73 54.21 2hgq s ARG 25 Cb 0.33 -0.49 -0.17 0.00 -0.45 0.00 0.00 34.95 34.16 2hgq s ARG 25 CO -0.04 -0.88 1.15 2.48 -0.68 0.00 0.00 175.30 177.33 2hgq n TYR 26 N 5.35 1.07 -1.33 -0.53 0.18 -1.26 -4.90 117.16 115.74 2hgq n TYR 26 Ca -0.02 0.78 -0.50 0.00 1.88 0.00 0.00 57.90 60.04 2hgq n TYR 26 Cb 0.49 -2.23 -0.06 0.00 -0.38 0.00 0.00 39.34 37.17 2hgq n TYR 26 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 2hgq n GLU 27 N 1.87 0.00 0.00 -3.48 4.07 -1.26 -1.98 120.64 119.86 2hgq n GLU 27 Ca 0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.27 2hgq n GLU 27 Cb 0.19 -1.20 0.00 0.00 -0.06 0.00 0.00 31.44 30.37 2hgq n GLU 27 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hgq n GLY 28 N 1.54 0.38 0.83 8.31 0.00 -0.38 -4.89 105.19 110.97 2hgq n GLY 28 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 2hgq n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgq n GLN 29 N 0.00 0.00 -1.64 1.61 10.64 -0.84 -1.48 117.38 125.67 2hgq n GLN 29 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 2hgq n GLN 29 Cb 0.00 -0.26 -0.03 0.00 -0.86 0.00 0.00 30.24 29.10 2hgq n GLN 29 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2hgq s VAL 30 N -0.51 3.05 -0.31 -0.39 -7.23 -1.26 -1.35 120.40 112.40 2hgq s VAL 30 Ca 0.14 0.05 -0.00 0.00 -1.81 0.00 0.00 61.98 60.36 2hgq s VAL 30 Cb -0.12 -3.07 0.07 0.00 0.56 0.00 0.00 36.38 33.81 2hgq s VAL 30 CO 0.17 -0.05 0.01 0.68 -0.31 0.00 0.00 175.10 175.60 2hgq s VAL 31 N 8.83 2.78 0.12 1.32 -7.23 -0.33 -4.91 120.40 120.99 2hgq s VAL 31 Ca 0.98 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 59.51 2hgq s VAL 31 Cb -0.29 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 33.90 2hgq s VAL 31 CO 0.33 -0.22 0.30 -0.13 -0.31 0.00 0.00 175.10 175.07 2hgq s ARG 32 N 1.17 3.51 0.61 4.82 0.52 -1.26 -0.95 118.95 127.37 2hgq s ARG 32 Ca -0.02 -0.34 -0.18 0.00 -0.52 0.00 0.00 55.73 54.67 2hgq s ARG 32 Cb -0.20 -2.93 -0.05 0.00 0.52 0.00 0.00 34.95 32.29 2hgq s ARG 32 CO -0.03 0.52 0.94 0.00 0.02 0.00 0.00 175.30 176.74 2hgq n ALA 33 N -0.06 0.09 0.00 2.13 0.00 -1.24 -0.78 120.51 120.65 2hgq n ALA 33 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2hgq n ALA 33 Cb 0.52 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.88 2hgq n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgq n GLY 34 N 1.32 2.88 3.67 0.00 0.00 -0.14 -4.94 105.19 107.98 2hgq n GLY 34 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2hgq n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hgq s ASN 35 N 0.20 7.13 0.36 1.61 0.02 0.04 -4.85 114.94 119.46 2hgq s ASN 35 Ca 0.00 1.52 -0.10 0.00 -1.02 0.00 0.00 52.86 53.26 2hgq s ASN 35 Cb 0.00 -2.55 -0.07 0.00 0.02 0.00 0.00 41.25 38.66 2hgq s ASN 35 CO 0.00 -0.59 0.71 -0.63 0.02 0.00 0.00 177.10 176.61 2hgq s ILE 36 N 2.68 4.82 0.07 0.60 1.01 -1.26 -0.90 121.20 128.22 2hgq s ILE 36 Ca 0.48 0.56 -0.01 0.00 0.00 0.00 0.00 60.65 61.68 2hgq s ILE 36 Cb -0.18 -3.70 -0.00 0.00 0.01 0.00 0.00 42.46 38.58 2hgq s ILE 36 CO 0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 174.94 174.66 2hgq n LEU 37 N -0.99 0.93 -3.69 2.97 -0.00 -0.05 -4.84 117.00 111.34 2hgq n LEU 37 Ca 0.02 0.12 -0.15 0.00 -0.00 0.00 0.00 56.01 55.99 2hgq n LEU 37 Cb 0.54 -0.30 -0.15 0.00 -0.00 0.00 0.00 43.42 43.51 2hgq n LEU 37 CO 0.46 -0.69 -0.22 -0.69 -0.00 0.00 0.00 177.39 176.26 2hgq s VAL 38 N -1.84 -0.22 -0.04 1.47 1.01 -1.16 -1.20 120.40 118.42 2hgq s VAL 38 Ca -0.01 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 2hgq s VAL 38 Cb 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 2hgq s VAL 38 CO 0.02 0.12 0.12 -0.13 0.00 0.00 0.00 175.10 175.23 2hgq s ARG 39 N 2.01 3.26 -0.04 2.72 0.52 -0.27 -0.64 118.95 126.50 2hgq s ARG 39 Ca -0.00 -0.34 -0.01 0.00 -0.52 0.00 0.00 55.73 54.85 2hgq s ARG 39 Cb -0.12 -3.00 0.03 0.00 0.52 0.00 0.00 34.95 32.38 2hgq s ARG 39 CO -0.06 0.69 0.08 1.14 0.02 0.00 0.00 175.30 177.17 2hgq s GLN 40 N -1.53 -0.02 -0.56 3.54 -2.07 0.04 -0.65 119.66 118.42 2hgq s GLN 40 Ca 0.21 0.32 -0.04 0.00 -1.82 0.00 0.00 55.36 54.04 2hgq s GLN 40 Cb -0.12 -0.31 0.09 0.00 -1.09 0.00 0.00 33.01 31.58 2hgq s GLN 40 CO 0.12 -0.23 2.68 0.54 -1.32 0.00 0.00 175.29 177.07 2hgq n ARG 41 N 4.65 2.64 0.00 9.60 5.12 -1.26 -4.51 116.66 132.89 2hgq n ARG 41 Ca -0.18 -2.55 0.00 0.00 -1.93 0.00 0.00 57.85 53.20 2hgq n ARG 41 Cb 0.50 -2.20 0.00 0.00 -1.16 0.00 0.00 32.46 29.61 2hgq n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hgq n GLY 42 N 0.83 1.02 2.29 -0.13 0.00 -1.26 -5.06 105.19 102.88 2hgq n GLY 42 Ca 0.50 0.41 -0.02 0.00 0.00 0.00 0.00 46.02 46.92 2hgq n GLY 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2hgq n THR 43 N 0.00 0.00 0.77 2.61 -1.04 -1.26 -4.88 114.28 110.48 2hgq n THR 43 Ca 0.00 -0.71 0.11 0.00 -2.04 0.00 0.00 64.05 61.41 2hgq n THR 43 Cb 0.00 0.85 0.49 0.00 -1.82 0.00 0.00 70.33 69.85 2hgq n THR 43 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2hgq n ARG 44 N -1.11 0.02 -4.07 -2.82 0.63 -1.26 -4.68 116.66 103.38 2hgq n ARG 44 Ca -0.14 0.12 -0.32 0.00 -0.92 0.00 0.00 57.85 56.59 2hgq n ARG 44 Cb 0.77 -1.53 -0.16 0.00 0.45 0.00 0.00 32.46 31.99 2hgq n ARG 44 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2hgq s PHE 45 N -3.02 2.52 -0.29 -0.14 2.99 -1.26 -3.05 117.98 115.72 2hgq s PHE 45 Ca 0.11 -1.48 -0.09 0.00 0.00 0.00 0.00 56.93 55.47 2hgq s PHE 45 Cb 0.15 -1.77 -0.01 0.00 0.00 0.00 0.00 43.02 41.38 2hgq s PHE 45 CO 0.43 -0.75 0.13 0.15 -0.00 0.00 0.00 175.22 175.18 2hgq s LYS 46 N 1.37 3.43 -0.72 0.44 -0.14 0.03 -4.98 119.74 119.16 2hgq s LYS 46 Ca 0.04 -0.65 -0.26 0.00 -1.36 0.00 0.00 55.97 53.75 2hgq s LYS 46 Cb -0.13 -3.49 -0.07 0.00 -1.68 0.00 0.00 37.83 32.45 2hgq s LYS 46 CO -0.12 -0.35 2.17 -2.14 -0.76 0.00 0.00 175.35 174.16 2hgq s PRO 47 N 1.61 2.17 0.00 -1.68 0.02 -1.26 -1.26 135.00 134.60 2hgq s PRO 47 Ca 0.05 0.49 0.00 0.00 0.02 0.00 0.00 61.00 61.56 2hgq s PRO 47 Cb -0.17 -4.74 0.00 0.00 0.02 0.00 0.00 34.50 29.61 2hgq s PRO 47 CO 0.06 -3.57 0.00 0.41 -0.33 0.00 0.00 177.00 173.56 2hgq n GLY 48 N 6.44 -0.47 3.61 0.52 0.00 0.02 -4.73 105.19 110.58 2hgq n GLY 48 Ca 0.38 -1.73 -0.59 0.00 0.00 0.00 0.00 46.02 44.08 2hgq n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgq n LYS 49 N -0.54 0.50 -0.97 1.61 5.02 -1.26 -0.67 118.16 121.86 2hgq n LYS 49 Ca 0.00 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2hgq n LYS 49 Cb 0.00 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 2hgq n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hgq n ASN 50 N 2.98 -4.86 -4.60 4.39 3.02 -1.26 -1.19 115.26 113.74 2hgq n ASN 50 Ca 0.23 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.39 2hgq n ASN 50 Cb 0.09 -2.75 -0.10 0.00 -0.61 0.00 0.00 39.78 36.40 2hgq n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2hgq s VAL 51 N -1.26 5.24 -0.24 2.41 1.01 0.16 -0.90 120.40 126.81 2hgq s VAL 51 Ca 0.00 0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.31 2hgq s VAL 51 Cb 0.00 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2hgq s VAL 51 CO 0.00 0.20 0.04 -0.83 0.00 0.00 0.00 175.10 174.51 2hgq s GLY 52 N 1.68 1.74 -0.46 4.51 0.00 -0.05 -4.38 107.32 110.36 2hgq s GLY 52 Ca 0.11 -1.12 -0.23 0.00 0.00 0.00 0.00 44.72 43.48 2hgq s GLY 52 CO 0.10 0.48 0.81 -0.29 0.00 0.00 0.00 173.10 174.21 2hgq s MET 53 N 1.51 3.41 0.75 2.90 1.75 -1.26 -0.65 119.30 127.72 2hgq s MET 53 Ca 0.06 -0.09 -0.12 0.00 -1.25 0.00 0.00 55.69 54.29 2hgq s MET 53 Cb -0.15 -3.95 0.05 0.00 2.84 0.00 0.00 34.83 33.62 2hgq s MET 53 CO 0.02 -1.16 1.10 0.20 -0.65 0.00 0.00 175.02 174.54 2hgq s GLY 54 N 2.20 1.81 0.00 2.11 0.00 0.13 -4.77 107.32 108.79 2hgq s GLY 54 Ca 0.31 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.39 2hgq s GLY 54 CO 0.23 0.72 0.11 0.54 0.00 0.00 0.00 173.10 174.70 2hgq n ARG 55 N -3.29 0.00 0.00 2.90 5.12 -1.26 -0.78 116.66 119.35 2hgq n ARG 55 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2hgq n ARG 55 Cb 0.53 -1.15 0.00 0.00 -1.16 0.00 0.00 32.46 30.67 2hgq n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2hgq n ASP 56 N 1.93 0.00 -2.15 0.55 5.75 -1.26 -4.99 116.55 116.38 2hgq n ASP 56 Ca 0.00 -0.62 -0.08 0.00 -0.01 0.00 0.00 54.79 54.09 2hgq n ASP 56 Cb 0.00 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.13 2hgq n ASP 56 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2hgq n PHE 57 N 0.00 -1.03 -3.94 2.11 3.01 0.04 -4.78 117.46 112.86 2hgq n PHE 57 Ca 0.00 0.44 -0.29 0.00 1.01 0.00 0.00 57.45 58.60 2hgq n PHE 57 Cb 0.27 -3.43 -0.16 0.00 -0.01 0.00 0.00 39.48 36.15 2hgq n PHE 57 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2hgq s THR 58 N -3.17 1.39 -0.39 4.37 2.01 -1.24 -0.78 115.64 117.83 2hgq s THR 58 Ca 0.02 -0.84 -0.28 0.00 0.31 0.00 0.00 61.69 60.89 2hgq s THR 58 Cb -0.00 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 2hgq s THR 58 CO 0.34 0.14 1.67 -0.76 -0.69 0.00 0.00 174.62 175.32 2hgq s LEU 59 N 1.51 3.51 -0.01 4.42 1.43 0.19 -0.70 118.68 129.03 2hgq s LEU 59 Ca -0.01 1.04 0.07 0.00 -1.03 0.00 0.00 54.13 54.20 2hgq s LEU 59 Cb -0.16 -3.43 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 2hgq s LEU 59 CO -0.08 -1.67 -0.22 0.72 0.23 0.00 0.00 176.35 175.32 2hgq s PHE 60 N 6.56 2.00 -0.22 0.29 -0.12 0.17 -0.87 117.98 125.80 2hgq s PHE 60 Ca 0.72 -0.38 -0.28 0.00 -0.05 0.00 0.00 56.93 56.94 2hgq s PHE 60 Cb -0.18 -1.27 -0.04 0.00 -0.63 0.00 0.00 43.02 40.89 2hgq s PHE 60 CO 0.32 -0.01 2.03 0.00 -0.05 0.00 0.00 175.22 177.51 2hgq s ALA 61 N -0.58 2.89 -0.45 1.99 0.00 -0.07 -0.88 121.76 124.66 2hgq s ALA 61 Ca 0.09 0.66 0.23 0.00 0.00 0.00 0.00 51.96 52.94 2hgq s ALA 61 Cb -0.09 -4.02 0.16 0.00 0.00 0.00 0.00 23.12 19.17 2hgq s ALA 61 CO -0.00 -2.57 1.18 1.25 0.00 0.00 0.00 175.76 175.62 2hgq h LEU 62 N 14.01 0.00 -7.40 0.00 6.46 -1.34 -0.36 115.31 126.67 2hgq h LEU 62 Ca -0.39 -0.12 -0.07 0.00 -0.12 0.00 0.00 57.88 57.18 2hgq h LEU 62 Cb 1.21 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 40.99 2hgq h LEU 62 CO 0.98 0.06 -0.10 0.68 -0.62 0.00 0.00 178.44 179.44 2hgq s VAL 63 N -3.26 0.06 -0.87 1.05 -7.23 -1.22 -4.78 120.40 104.15 2hgq s VAL 63 Ca 0.03 -0.53 -0.25 0.00 -1.81 0.00 0.00 61.98 59.42 2hgq s VAL 63 Cb 0.11 -1.04 -0.08 0.00 0.56 0.00 0.00 36.38 35.93 2hgq s VAL 63 CO 0.76 -0.29 2.10 -1.81 -0.31 0.00 0.00 175.10 175.54 2hgq s ASP 64 N -2.32 4.72 0.14 4.85 1.11 -1.26 -3.73 116.67 120.17 2hgq s ASP 64 Ca -0.02 -0.46 0.05 0.00 0.18 0.00 0.00 52.55 52.30 2hgq s ASP 64 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 2hgq s ASP 64 CO -0.06 -3.13 -0.12 -0.83 1.18 0.00 0.00 175.17 172.20 2hgq s GLY 65 N 8.93 1.09 0.24 0.21 0.00 -0.13 -1.27 107.32 116.40 2hgq s GLY 65 Ca 0.77 -1.40 -0.30 0.00 0.00 0.00 0.00 44.72 43.80 2hgq s GLY 65 CO 0.02 -1.48 1.07 0.14 0.00 0.00 0.00 173.10 172.85 2hgq s VAL 66 N -2.72 3.70 -0.90 1.40 1.01 -0.27 -1.18 120.40 121.44 2hgq s VAL 66 Ca 0.13 1.64 -0.28 0.00 0.00 0.00 0.00 61.98 63.47 2hgq s VAL 66 Cb -0.01 -4.05 -0.20 0.00 0.00 0.00 0.00 36.38 32.12 2hgq s VAL 66 CO 0.02 0.36 2.59 0.52 0.00 0.00 0.00 175.10 178.60 2hgq n VAL 67 N 1.57 -0.02 -3.16 2.92 0.31 -0.46 -1.49 118.33 118.00 2hgq n VAL 67 Ca -0.00 -0.21 -0.45 0.00 -0.01 0.00 0.00 64.34 63.67 2hgq n VAL 67 Cb 0.46 -0.92 -0.04 0.00 -0.91 0.00 0.00 33.84 32.42 2hgq n VAL 67 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2hgq s GLU 68 N 8.69 3.09 -0.78 5.55 2.56 -0.19 -1.25 118.70 136.37 2hgq s GLU 68 Ca 1.28 -1.51 -0.25 0.00 0.00 0.00 0.00 54.97 54.49 2hgq s GLU 68 Cb -1.00 -4.31 0.05 0.00 2.00 0.00 0.00 34.13 30.87 2hgq s GLU 68 CO 0.45 -1.49 1.24 -0.06 -0.56 0.00 0.00 175.26 174.84 2hgq s PHE 69 N 2.26 2.45 -0.91 5.30 2.99 -1.26 -0.95 117.98 127.86 2hgq s PHE 69 Ca 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 56.93 56.67 2hgq s PHE 69 Cb -0.24 -4.56 0.27 0.00 0.00 0.00 0.00 43.02 38.49 2hgq s PHE 69 CO 0.04 -1.94 1.08 0.94 -0.00 0.00 0.00 175.22 175.34 2hgq n GLN 70 N 8.81 3.43 -2.08 0.44 7.27 -0.40 -4.96 117.38 129.89 2hgq n GLN 70 Ca 0.08 -4.57 -0.42 0.00 0.07 0.00 0.00 57.00 52.15 2hgq n GLN 70 Cb 0.49 -2.41 -0.03 0.00 2.41 0.00 0.00 30.24 30.70 2hgq n GLN 70 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2hgq s ASP 71 N -1.50 6.68 -0.76 1.69 -1.08 -1.24 -0.81 116.67 119.66 2hgq s ASP 71 Ca 0.33 2.10 -0.03 0.00 -0.52 0.00 0.00 52.55 54.43 2hgq s ASP 71 Cb 0.05 -2.53 0.22 0.00 -1.46 0.00 0.00 42.92 39.20 2hgq s ASP 71 CO 0.01 -0.93 2.31 0.54 0.52 0.00 0.00 175.17 177.61 2hgq n ARG 72 N 7.10 3.04 0.00 4.34 1.74 -0.50 -4.83 116.66 127.55 2hgq n ARG 72 Ca 0.17 -3.21 0.00 0.00 -0.77 0.00 0.00 57.85 54.04 2hgq n ARG 72 Cb 0.43 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 2hgq n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hgq n GLY 73 N 0.19 0.80 0.69 -0.13 0.00 -1.25 -1.26 105.19 104.23 2hgq n GLY 73 Ca 0.52 -0.33 0.52 0.00 0.00 0.00 0.00 46.02 46.74 2hgq n GLY 73 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hgq n ARG 74 N 5.80 -0.00 -0.13 1.61 -4.01 -1.26 -0.93 116.66 117.73 2hgq n ARG 74 Ca 0.00 1.08 0.15 0.00 -1.04 0.00 0.00 57.85 58.05 2hgq n ARG 74 Cb 0.00 -2.48 0.52 0.00 -3.04 0.00 0.00 32.46 27.46 2hgq n ARG 74 CO 0.00 0.00 0.00 -0.07 -3.04 0.00 0.00 177.63 174.52 2hgq h LEU 75 N 0.00 0.35 0.00 2.89 4.07 -1.60 -3.46 115.31 117.56 2hgq h LEU 75 Ca 0.93 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.91 2hgq h LEU 75 Cb 3.70 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 45.38 2hgq h LEU 75 CO -0.04 0.19 0.00 0.61 -1.08 0.00 0.00 178.44 178.12 2hgq n GLY 76 N -1.53 0.92 3.67 0.83 0.00 -0.11 -5.06 105.19 103.91 2hgq n GLY 76 Ca 0.13 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 2hgq n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgq s ARG 77 N -1.79 4.29 -0.10 1.61 0.52 -1.17 -1.41 118.95 120.89 2hgq s ARG 77 Ca 0.00 0.90 0.03 0.00 -0.52 0.00 0.00 55.73 56.14 2hgq s ARG 77 Cb 0.00 -3.56 0.01 0.00 0.52 0.00 0.00 34.95 31.91 2hgq s ARG 77 CO 0.00 -0.27 -0.19 0.71 0.02 0.00 0.00 175.30 175.57 2hgq s TYR 78 N 1.96 2.24 -0.07 -0.53 1.51 0.01 -0.79 117.35 121.69 2hgq s TYR 78 Ca 0.36 -0.99 -0.07 0.00 -1.01 0.00 0.00 57.07 55.35 2hgq s TYR 78 Cb -0.16 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 2hgq s TYR 78 CO 0.12 -0.45 0.20 0.14 -1.11 0.00 0.00 175.55 174.45 2hgq s VAL 79 N 0.66 5.41 0.01 0.71 -7.23 -0.39 -1.27 120.40 118.30 2hgq s VAL 79 Ca -0.12 0.22 -0.06 0.00 -1.81 0.00 0.00 61.98 60.20 2hgq s VAL 79 Cb -0.16 -3.48 -0.00 0.00 0.56 0.00 0.00 36.38 33.29 2hgq s VAL 79 CO 0.03 0.53 0.11 -1.00 -0.31 0.00 0.00 175.10 174.46 2hgq s HIS 80 N -1.13 0.08 -0.22 2.82 3.76 -0.12 -0.80 115.29 119.68 2hgq s HIS 80 Ca 0.20 -0.21 -0.05 0.00 -0.15 0.00 0.00 55.06 54.85 2hgq s HIS 80 Cb -0.13 -0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.47 2hgq s HIS 80 CO 0.09 -0.28 -0.01 0.08 -0.85 0.00 0.00 174.74 173.77 2hgq s VAL 81 N -1.49 3.71 0.05 -0.90 1.01 -0.33 -1.02 120.40 121.42 2hgq s VAL 81 Ca -0.14 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 2hgq s VAL 81 Cb -0.07 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 2hgq s VAL 81 CO 0.01 0.41 0.69 -0.60 0.00 0.00 0.00 175.10 175.60 2hgq s ARG 82 N 1.40 4.41 -0.92 2.72 3.52 -0.55 -4.74 118.95 124.77 2hgq s ARG 82 Ca 0.05 0.93 -0.16 0.00 -0.13 0.00 0.00 55.73 56.41 2hgq s ARG 82 Cb -0.15 -3.32 -0.27 0.00 -1.56 0.00 0.00 34.95 29.65 2hgq s ARG 82 CO -0.00 0.40 2.28 -2.30 -0.81 0.00 0.00 175.30 174.87 2hgq n PRO 83 N 2.45 0.19 0.00 5.12 -0.02 -1.26 -1.11 135.00 140.36 2hgq n PRO 83 Ca -0.05 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 2hgq n PRO 83 Cb 0.50 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2hgq n PRO 83 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2hgq n LEU 84 N 9.91 0.00 0.00 2.45 7.94 -0.40 -4.90 117.00 132.00 2hgq n LEU 84 Ca 0.61 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.51 2hgq n LEU 84 Cb 0.22 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.17 2hgq n LEU 84 CO 0.92 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 177.20