#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq s GLU 2 N 0.00 4.36 0.55 0.03 2.12 -1.26 -4.94 118.70 119.56 1yhq s GLU 2 Ca 0.00 2.17 -0.20 0.00 0.36 0.00 0.00 54.97 57.30 1yhq s GLU 2 Cb 0.00 -3.06 -0.07 0.00 0.26 0.00 0.00 34.13 31.27 1yhq s GLU 2 CO 0.00 -0.17 0.96 0.00 -0.54 0.00 0.00 175.26 175.52 1yhq n ALA 3 N 0.79 0.17 0.09 6.30 0.00 -1.26 -4.92 120.51 121.68 1yhq n ALA 3 Ca 0.00 0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.33 1yhq n ALA 3 Cb 0.42 -2.10 -0.14 0.00 0.00 0.00 0.00 19.45 17.63 1yhq n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1yhq h LEU 4 N 0.79 0.45 0.00 0.00 3.38 -1.92 -3.46 115.31 114.56 1yhq h LEU 4 Ca -0.47 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 56.95 1yhq h LEU 4 Cb 1.36 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1yhq h LEU 4 CO 0.52 1.44 0.00 0.61 0.09 0.00 0.00 178.44 181.10 1yhq n GLY 5 N 1.62 0.81 3.63 0.83 0.00 -1.26 -4.74 105.19 106.08 1yhq n GLY 5 Ca -0.13 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 1yhq n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhq s ALA 6 N -2.00 -1.97 -0.04 4.61 0.00 -1.26 -4.32 121.76 116.78 1yhq s ALA 6 Ca 0.00 1.81 -0.24 0.00 0.00 0.00 0.00 51.96 53.53 1yhq s ALA 6 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1yhq s ALA 6 CO 0.00 -0.25 0.71 -0.51 0.00 0.00 0.00 175.76 175.72 1yhq s ASP 7 N -0.05 7.04 -0.04 0.00 1.01 -0.03 -4.91 116.67 119.69 1yhq s ASP 7 Ca 0.02 1.25 0.06 0.00 0.71 0.00 0.00 52.55 54.59 1yhq s ASP 7 Cb -0.04 -2.42 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 1yhq s ASP 7 CO -0.05 -0.08 -0.21 -0.69 0.21 0.00 0.00 175.17 174.35 1yhq s VAL 8 N 0.56 2.45 -0.43 -1.27 1.01 -1.26 -0.43 120.40 121.03 1yhq s VAL 8 Ca 0.38 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 1yhq s VAL 8 Cb -0.18 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.35 1yhq s VAL 8 CO 0.19 0.58 0.29 -0.89 0.00 0.00 0.00 175.10 175.28 1yhq s THR 9 N -0.52 4.68 0.07 3.92 2.01 -1.25 -5.03 115.64 119.52 1yhq s THR 9 Ca 0.07 -1.14 -0.35 0.00 0.31 0.00 0.00 61.69 60.58 1yhq s THR 9 Cb -0.11 -3.77 -0.15 0.00 0.01 0.00 0.00 72.50 68.48 1yhq s THR 9 CO 0.01 -0.46 1.55 0.00 -0.69 0.00 0.00 174.62 175.02 1yhq n GLN 10 N 5.04 1.73 0.00 4.92 3.00 -1.26 -4.81 117.38 126.00 1yhq n GLN 10 Ca -0.11 0.63 0.07 0.00 -0.01 0.00 0.00 57.00 57.58 1yhq n GLN 10 Cb 0.44 -2.35 0.05 0.00 0.00 0.00 0.00 30.24 28.38 1yhq n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1yhq n GLY 11 N 3.29 -0.01 3.46 1.08 0.00 -1.19 -4.90 105.19 106.92 1yhq n GLY 11 Ca 0.19 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1yhq n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yhq s LEU 12 N -1.27 2.56 0.28 0.99 1.43 -0.21 -4.92 118.68 117.54 1yhq s LEU 12 Ca 0.16 -1.00 0.02 0.00 -1.03 0.00 0.00 54.13 52.28 1yhq s LEU 12 Cb 0.12 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 1yhq s LEU 12 CO 0.20 0.05 0.10 -1.61 0.23 0.00 0.00 176.35 175.32 1yhq s GLU 13 N -3.35 1.50 0.12 1.70 2.02 -1.26 -0.86 118.70 118.56 1yhq s GLU 13 Ca 0.28 -1.83 -0.31 0.00 0.02 0.00 0.00 54.97 53.13 1yhq s GLU 13 Cb -0.05 -0.33 -0.10 0.00 0.10 0.00 0.00 34.13 33.75 1yhq s GLU 13 CO 0.14 -0.32 1.68 0.21 0.02 0.00 0.00 175.26 176.99 1yhq s LYS 14 N -3.96 4.18 0.00 1.61 2.20 -0.41 -1.61 119.74 121.75 1yhq s LYS 14 Ca 0.37 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.40 1yhq s LYS 14 Cb 0.07 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1yhq s LYS 14 CO 0.15 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 1yhq n GLY 15 N 3.98 2.31 3.76 5.54 0.00 0.19 -4.96 105.19 116.01 1yhq n GLY 15 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1yhq n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yhq s SER 16 N -1.43 5.67 -0.22 1.61 0.01 -0.63 -4.64 113.70 114.07 1yhq s SER 16 Ca 0.00 2.70 -0.08 0.00 1.31 0.00 0.00 55.95 59.87 1yhq s SER 16 Cb 0.00 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1yhq s SER 16 CO 0.00 -1.29 0.09 -0.76 0.41 0.00 0.00 173.24 171.69 1yhq s LEU 17 N -3.15 3.76 0.22 2.44 1.43 -1.26 -1.02 118.68 121.09 1yhq s LEU 17 Ca 0.66 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 1yhq s LEU 17 Cb -0.39 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 1yhq s LEU 17 CO 0.47 0.07 0.03 0.27 0.23 0.00 0.00 176.35 177.42 1yhq s ILE 18 N 1.01 0.76 0.28 -0.59 -4.36 0.78 -4.96 121.20 114.11 1yhq s ILE 18 Ca 0.05 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.15 1yhq s ILE 18 Cb -0.14 -2.37 -0.09 0.00 1.25 0.00 0.00 42.46 41.11 1yhq s ILE 18 CO 0.03 -0.27 0.99 -0.89 0.24 0.00 0.00 174.94 175.05 1yhq s THR 19 N -3.61 3.91 -0.59 8.37 2.01 -0.69 -0.22 115.64 124.81 1yhq s THR 19 Ca 0.30 1.80 -0.15 0.00 0.31 0.00 0.00 61.69 63.95 1yhq s THR 19 Cb 0.07 -4.10 0.15 0.00 0.01 0.00 0.00 72.50 68.63 1yhq s THR 19 CO 0.09 0.34 0.54 0.00 -0.69 0.00 0.00 174.62 174.89 1yhq n ALA 21 N 4.95 6.09 -3.16 0.00 0.00 -0.24 -4.79 120.51 123.37 1yhq n ALA 21 Ca -0.08 -2.58 -0.01 0.00 0.00 0.00 0.00 53.44 50.77 1yhq n ALA 21 Cb 0.41 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 16.82 1yhq n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1yhq n ASP 22 N 3.65 -0.38 -1.62 0.00 5.68 -1.26 -1.79 116.55 120.83 1yhq n ASP 22 Ca 0.58 -1.32 -0.16 0.00 -0.50 0.00 0.00 54.79 53.40 1yhq n ASP 22 Cb 0.28 0.65 0.12 0.00 -1.14 0.00 0.00 41.12 41.03 1yhq n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1yhq n ASN 23 N -1.38 4.10 0.22 -1.12 6.94 -1.10 -4.69 115.26 118.23 1yhq n ASN 23 Ca -0.01 -3.79 0.10 0.00 -0.02 0.00 0.00 54.58 50.86 1yhq n ASN 23 Cb 0.11 -0.58 0.34 0.00 -2.36 0.00 0.00 39.78 37.30 1yhq n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1yhq h THR 24 N 1.43 0.37 0.00 5.53 1.35 -1.93 -3.44 112.91 116.22 1yhq h THR 24 Ca 0.32 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1yhq h THR 24 Cb 1.44 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 1yhq h THR 24 CO 0.68 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.74 1yhq n GLY 25 N 0.59 1.07 3.71 5.82 0.00 -1.26 -4.99 105.19 110.12 1yhq n GLY 25 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1yhq n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhq s ALA 26 N -2.00 3.63 -0.27 4.61 0.00 -1.26 -1.30 121.76 125.18 1yhq s ALA 26 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 1yhq s ALA 26 Cb 0.00 -2.30 -0.14 0.00 0.00 0.00 0.00 23.12 20.68 1yhq s ALA 26 CO 0.00 0.01 -0.27 0.54 0.00 0.00 0.00 175.76 176.04 1yhq n ARG 27 N 3.82 0.61 -5.05 0.00 1.74 0.21 -4.58 116.66 113.41 1yhq n ARG 27 Ca -0.14 0.26 -0.32 0.00 -0.77 0.00 0.00 57.85 56.88 1yhq n ARG 27 Cb 0.52 -1.52 -0.15 0.00 -1.02 0.00 0.00 32.46 30.29 1yhq n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1yhq s GLU 28 N -2.50 2.67 -0.03 5.56 2.12 -0.79 -1.55 118.70 124.18 1yhq s GLU 28 Ca -0.37 -0.79 0.07 0.00 0.36 0.00 0.00 54.97 54.24 1yhq s GLU 28 Cb 0.13 -2.32 -0.02 0.00 0.26 0.00 0.00 34.13 32.18 1yhq s GLU 28 CO 0.53 0.44 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.94 1yhq s LEU 29 N -0.28 2.04 -0.20 2.70 1.43 0.69 -1.13 118.68 123.93 1yhq s LEU 29 Ca 0.01 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 1yhq s LEU 29 Cb -0.13 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 1yhq s LEU 29 CO 0.03 0.28 0.01 -0.75 0.23 0.00 0.00 176.35 176.15 1yhq s LYS 30 N -0.46 3.65 0.12 1.70 2.20 -0.05 -0.16 119.74 126.75 1yhq s LYS 30 Ca 0.06 -0.50 -0.31 0.00 -0.36 0.00 0.00 55.97 54.86 1yhq s LYS 30 Cb -0.10 -3.12 -0.08 0.00 -1.51 0.00 0.00 37.83 33.02 1yhq s LYS 30 CO 0.00 0.01 1.33 0.08 -0.36 0.00 0.00 175.35 176.41 1yhq s VAL 31 N 1.02 3.44 -0.08 4.02 1.01 -0.19 -1.72 120.40 127.91 1yhq s VAL 31 Ca 0.02 1.06 -0.00 0.00 0.00 0.00 0.00 61.98 63.06 1yhq s VAL 31 Cb -0.14 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1yhq s VAL 31 CO 0.02 0.10 -0.07 -0.38 0.00 0.00 0.00 175.10 174.76 1yhq n ILE 32 N 3.67 0.45 -3.67 2.22 5.41 -0.62 0.56 119.36 127.38 1yhq n ILE 32 Ca 0.10 -0.16 -0.10 0.00 1.00 0.00 0.00 62.75 63.58 1yhq n ILE 32 Cb 0.43 -0.88 -0.05 0.00 -0.71 0.00 0.00 39.64 38.43 1yhq n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1yhq s SER 33 N -4.88 -0.22 -0.22 4.38 0.01 -1.14 -4.79 113.70 106.85 1yhq s SER 33 Ca -0.11 -0.38 -0.02 0.00 1.31 0.00 0.00 55.95 56.76 1yhq s SER 33 Cb 0.03 0.49 0.01 0.00 0.21 0.00 0.00 66.02 66.76 1yhq s SER 33 CO 0.17 -0.89 -0.10 -0.69 0.41 0.00 0.00 173.24 172.15 1yhq s VAL 34 N -3.83 2.79 0.18 3.43 1.01 -1.26 -0.61 120.40 122.12 1yhq s VAL 34 Ca 0.05 -0.83 -0.33 0.00 0.00 0.00 0.00 61.98 60.87 1yhq s VAL 34 Cb 0.01 -2.30 -0.14 0.00 0.00 0.00 0.00 36.38 33.95 1yhq s VAL 34 CO -0.10 0.37 1.40 1.57 0.00 0.00 0.00 175.10 178.34 1yhq n HIS 35 N 4.69 1.93 -0.83 5.22 -0.00 0.36 -1.77 115.22 124.82 1yhq n HIS 35 Ca -0.18 0.47 0.00 0.00 0.46 0.00 0.00 57.72 58.46 1yhq n HIS 35 Cb 0.49 -2.43 0.00 0.00 -0.12 0.00 0.00 29.99 27.93 1yhq n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yhq n GLY 36 N 2.52 0.29 3.84 1.57 0.00 -1.26 -4.81 105.19 107.34 1yhq n GLY 36 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1yhq n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yhq s TYR 37 N -1.79 3.67 -0.05 1.61 5.04 -0.73 -5.07 117.35 120.02 1yhq s TYR 37 Ca 0.00 1.08 -0.02 0.00 -2.44 0.00 0.00 57.07 55.69 1yhq s TYR 37 Cb 0.00 -2.37 0.03 0.00 0.35 0.00 0.00 41.96 39.97 1yhq s TYR 37 CO 0.00 0.50 0.08 0.45 -1.34 0.00 0.00 175.55 175.24 1yhq s SER 38 N -1.50 0.94 0.00 4.32 0.15 -1.26 -4.94 113.70 111.40 1yhq s SER 38 Ca 0.34 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1yhq s SER 38 Cb -0.16 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1yhq s SER 38 CO 0.18 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1yhq n GLY 39 N 5.19 0.86 3.47 9.45 0.00 -1.26 -5.13 105.19 117.77 1yhq n GLY 39 Ca -0.06 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1yhq n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yhq s THR 40 N 2.05 0.00 -0.10 2.61 -1.32 -1.26 -5.07 115.64 112.54 1yhq s THR 40 Ca 0.00 0.00 -0.39 0.00 -1.21 0.00 0.00 61.69 60.09 1yhq s THR 40 Cb 0.00 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.80 1yhq s THR 40 CO 0.00 0.00 1.12 1.17 -2.21 0.00 0.00 174.62 174.70 1yhq n LYS 41 N 0.02 0.00 0.00 7.08 4.81 -1.26 -0.56 118.16 128.25 1yhq n LYS 41 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1yhq n LYS 41 Cb 0.62 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 34.25 1yhq n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1yhq n ASN 42 N 1.94 0.00 -4.69 3.14 3.02 -1.26 -4.98 115.26 112.43 1yhq n ASN 42 Ca 0.21 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.34 1yhq n ASN 42 Cb 0.05 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 38.72 1yhq n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1yhq s ARG 43 N 0.00 4.35 -0.14 3.52 3.52 0.28 -4.98 118.95 125.50 1yhq s ARG 43 Ca 0.00 1.71 -0.29 0.00 -0.13 0.00 0.00 55.73 57.02 1yhq s ARG 43 Cb 0.00 -3.54 -0.02 0.00 -1.56 0.00 0.00 34.95 29.83 1yhq s ARG 43 CO 0.00 -0.44 1.30 -0.51 -0.81 0.00 0.00 175.30 174.83 1yhq s LEU 44 N 2.13 4.21 0.10 -0.88 1.43 -1.26 -4.67 118.68 119.74 1yhq s LEU 44 Ca 0.57 1.77 -0.35 0.00 -1.03 0.00 0.00 54.13 55.09 1yhq s LEU 44 Cb -0.26 -3.54 -0.15 0.00 0.03 0.00 0.00 46.19 42.27 1yhq s LEU 44 CO 0.23 -0.76 1.51 -0.81 0.23 0.00 0.00 176.35 176.76 1yhq n PRO 45 N 6.46 1.73 -4.25 1.29 -0.04 -1.26 -4.82 135.00 134.12 1yhq n PRO 45 Ca 0.14 0.63 -0.31 0.00 -0.04 0.00 0.00 63.50 63.91 1yhq n PRO 45 Cb 0.45 -2.35 -0.09 0.00 -0.04 0.00 0.00 33.50 31.47 1yhq n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1yhq s LYS 46 N 1.06 2.54 0.02 0.54 -2.85 -1.26 -1.29 119.74 118.50 1yhq s LYS 46 Ca 0.83 -0.79 0.01 0.00 -1.00 0.00 0.00 55.97 55.02 1yhq s LYS 46 Cb -0.80 -2.53 -0.01 0.00 -2.06 0.00 0.00 37.83 32.43 1yhq s LYS 46 CO 0.43 0.57 -0.05 0.00 0.10 0.00 0.00 175.35 176.40 1yhq s ALA 47 N -1.18 0.41 0.20 0.59 0.00 -0.04 -4.89 121.76 116.85 1yhq s ALA 47 Ca 0.22 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.78 1yhq s ALA 47 Cb -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1yhq s ALA 47 CO 0.14 0.02 0.18 0.41 0.00 0.00 0.00 175.76 176.50 1yhq n GLY 48 N 2.25 3.31 3.65 0.00 0.00 -1.26 -1.04 105.19 112.09 1yhq n GLY 48 Ca -0.18 -1.79 -0.51 0.00 0.00 0.00 0.00 46.02 43.54 1yhq n GLY 48 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1yhq n LEU 49 N 0.00 2.38 0.00 0.99 0.00 -1.26 -1.60 117.00 117.51 1yhq n LEU 49 Ca 0.05 1.08 0.00 0.00 0.00 0.00 0.00 56.01 57.14 1yhq n LEU 49 Cb 0.37 -1.26 0.00 0.00 0.00 0.00 0.00 43.42 42.53 1yhq n LEU 49 CO 0.19 -0.61 0.00 0.61 0.00 0.00 0.00 177.39 177.58 1yhq n GLY 50 N 3.34 3.14 3.83 -3.96 0.00 -0.68 -4.99 105.19 105.88 1yhq n GLY 50 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1yhq n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yhq s ASP 51 N -1.12 6.59 -0.23 1.61 1.01 -0.63 -4.80 116.67 119.11 1yhq s ASP 51 Ca 0.00 1.65 -0.10 0.00 0.71 0.00 0.00 52.55 54.81 1yhq s ASP 51 Cb 0.00 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 1yhq s ASP 51 CO 0.00 -0.60 0.15 -0.75 0.21 0.00 0.00 175.17 174.17 1yhq s LYS 52 N -3.80 4.09 0.17 8.23 2.20 -1.26 -1.87 119.74 127.49 1yhq s LYS 52 Ca 0.61 -0.27 0.08 0.00 -0.36 0.00 0.00 55.97 56.03 1yhq s LYS 52 Cb -0.11 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1yhq s LYS 52 CO 0.27 0.12 -0.17 0.96 -0.36 0.00 0.00 175.35 176.17 1yhq s ILE 53 N 0.87 1.78 0.10 5.43 -4.36 0.04 -0.48 121.20 124.58 1yhq s ILE 53 Ca 0.07 -1.96 -0.12 0.00 -0.26 0.00 0.00 60.65 58.38 1yhq s ILE 53 Cb -0.13 -1.86 -0.06 0.00 1.25 0.00 0.00 42.46 41.66 1yhq s ILE 53 CO 0.03 -0.37 0.47 -0.89 0.24 0.00 0.00 174.94 174.42 1yhq s THR 54 N -2.20 4.98 0.10 8.37 2.01 0.22 -0.60 115.64 128.52 1yhq s THR 54 Ca 0.16 0.66 -0.08 0.00 0.31 0.00 0.00 61.69 62.74 1yhq s THR 54 Cb -0.05 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 1yhq s THR 54 CO 0.07 0.30 0.19 -0.69 -0.69 0.00 0.00 174.62 173.80 1yhq s VAL 55 N -1.39 0.13 0.08 3.82 1.01 0.27 -1.58 120.40 122.74 1yhq s VAL 55 Ca 0.34 -1.24 0.09 0.00 0.00 0.00 0.00 61.98 61.17 1yhq s VAL 55 Cb -0.15 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1yhq s VAL 55 CO 0.18 -0.61 -0.24 -0.94 0.00 0.00 0.00 175.10 173.50 1yhq s SER 56 N -2.88 2.89 -0.37 3.32 1.04 -0.70 0.37 113.70 117.36 1yhq s SER 56 Ca 0.07 -0.64 -0.21 0.00 0.48 0.00 0.00 55.95 55.65 1yhq s SER 56 Cb 0.05 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.96 1yhq s SER 56 CO -0.09 0.16 0.68 -0.69 0.98 0.00 0.00 173.24 174.28 1yhq s VAL 57 N -0.97 4.84 -0.03 5.02 1.01 -0.68 -0.87 120.40 128.72 1yhq s VAL 57 Ca 0.10 0.60 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 1yhq s VAL 57 Cb -0.10 -4.13 -0.30 0.00 0.00 0.00 0.00 36.38 31.86 1yhq s VAL 57 CO 0.04 -0.39 0.73 0.74 0.00 0.00 0.00 175.10 176.23 1yhq h THR 58 N 5.73 1.01 -3.95 3.92 2.02 -1.47 -0.81 112.91 119.35 1yhq h THR 58 Ca -0.26 -2.61 -0.36 0.00 0.77 0.00 0.00 66.41 63.95 1yhq h THR 58 Cb 1.10 2.76 -0.29 0.00 -1.74 0.00 0.00 68.15 69.99 1yhq h THR 58 CO 0.86 0.84 -0.77 -0.54 0.37 0.00 0.00 175.52 176.28 1yhq s LYS 59 N -2.59 0.59 0.00 6.66 1.02 -1.10 -4.90 119.74 119.42 1yhq s LYS 59 Ca -0.13 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.61 1yhq s LYS 59 Cb 0.06 -0.58 0.00 0.00 -0.52 0.00 0.00 37.83 36.79 1yhq s LYS 59 CO 0.86 0.14 0.00 0.41 -0.92 0.00 0.00 175.35 175.84 1yhq n GLY 60 N 2.96 0.10 3.74 -3.33 0.00 -1.26 0.64 105.19 108.04 1yhq n GLY 60 Ca -0.14 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 43.99 1yhq n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yhq s THR 61 N -2.82 2.35 0.23 2.61 -4.23 -0.42 -4.69 115.64 108.68 1yhq s THR 61 Ca 0.00 0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 60.66 1yhq s THR 61 Cb 0.00 -3.09 0.23 0.00 1.34 0.00 0.00 72.50 70.97 1yhq s THR 61 CO 0.00 -0.04 1.66 -0.65 -0.54 0.00 0.00 174.62 175.05 1yhq h PRO 62 N 0.84 0.16 -0.86 3.99 0.11 -1.94 -0.07 132.00 134.24 1yhq h PRO 62 Ca -0.51 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.62 1yhq h PRO 62 Cb 1.31 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 1yhq h PRO 62 CO 0.55 0.11 0.57 0.93 -0.21 0.00 0.00 178.00 179.94 1yhq h GLU 63 N 0.17 1.07 0.15 1.05 4.39 -1.98 -3.11 114.58 116.32 1yhq h GLU 63 Ca 0.37 -0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.80 1yhq h GLU 63 Cb 0.63 -0.24 0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1yhq h GLU 63 CO -0.55 0.71 -0.91 0.52 -1.16 0.00 0.00 179.01 177.61 1yhq h MET 64 N 1.10 0.32 -6.28 2.33 2.86 -1.57 -3.45 114.93 110.23 1yhq h MET 64 Ca 0.33 -0.55 -0.63 0.00 -2.06 0.00 0.00 59.70 56.80 1yhq h MET 64 Cb -0.03 0.21 0.12 0.00 0.06 0.00 0.00 31.60 31.96 1yhq h MET 64 CO -0.09 1.26 -0.22 0.54 1.06 0.00 0.00 176.91 179.47 1yhq n ARG 65 N -4.07 0.73 -0.68 1.72 1.74 -0.16 -1.78 116.66 114.15 1yhq n ARG 65 Ca -0.15 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1yhq n ARG 65 Cb 0.86 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 1yhq n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1yhq n ARG 66 N 0.79 0.00 -2.73 5.56 1.74 -0.31 -4.93 116.66 116.77 1yhq n ARG 66 Ca 0.13 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.82 1yhq n ARG 66 Cb 0.31 -3.09 -0.06 0.00 -1.02 0.00 0.00 32.46 28.61 1yhq n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1yhq s GLN 67 N -0.30 4.74 -0.39 5.56 -0.21 -0.73 -4.74 119.66 123.59 1yhq s GLN 67 Ca 0.00 1.46 -0.14 0.00 0.02 0.00 0.00 55.36 56.70 1yhq s GLN 67 Cb 0.00 -3.10 0.01 0.00 1.00 0.00 0.00 33.01 30.92 1yhq s GLN 67 CO 0.00 0.40 0.28 0.08 -2.12 0.00 0.00 175.29 173.93 1yhq s VAL 68 N -1.33 5.24 0.25 1.09 1.01 -1.26 -1.68 120.40 123.72 1yhq s VAL 68 Ca 0.45 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1yhq s VAL 68 Cb -0.24 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1yhq s VAL 68 CO 0.30 -0.21 0.03 -0.76 0.00 0.00 0.00 175.10 174.46 1yhq s LEU 69 N 1.69 2.02 0.25 3.92 1.43 0.16 -4.93 118.68 123.21 1yhq s LEU 69 Ca 0.05 -1.28 -0.03 0.00 -1.03 0.00 0.00 54.13 51.83 1yhq s LEU 69 Cb -0.18 -0.18 -0.05 0.00 0.03 0.00 0.00 46.19 45.81 1yhq s LEU 69 CO 0.10 -0.60 0.48 -1.61 0.23 0.00 0.00 176.35 174.96 1yhq s GLU 70 N -3.92 3.59 0.28 1.70 2.02 -1.26 0.94 118.70 122.05 1yhq s GLU 70 Ca 0.32 -0.12 -0.17 0.00 0.02 0.00 0.00 54.97 55.02 1yhq s GLU 70 Cb 0.07 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 31.58 1yhq s GLU 70 CO 0.11 0.30 0.63 0.00 0.02 0.00 0.00 175.26 176.31 1yhq s ALA 71 N -1.98 -0.78 -0.08 5.21 0.00 0.23 -1.10 121.76 123.26 1yhq s ALA 71 Ca 0.42 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.83 1yhq s ALA 71 Cb -0.11 0.93 0.01 0.00 0.00 0.00 0.00 23.12 23.95 1yhq s ALA 71 CO 0.29 -0.96 -0.14 0.08 0.00 0.00 0.00 175.76 175.02 1yhq s VAL 72 N -3.84 1.32 -0.11 0.00 1.01 -0.40 -0.78 120.40 117.60 1yhq s VAL 72 Ca 0.16 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1yhq s VAL 72 Cb -0.04 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1yhq s VAL 72 CO 0.08 0.40 1.29 -0.69 0.00 0.00 0.00 175.10 176.18 1yhq s VAL 73 N 0.69 4.16 -0.12 2.92 1.01 -0.78 -0.95 120.40 127.32 1yhq s VAL 73 Ca -0.14 1.44 0.12 0.00 0.00 0.00 0.00 61.98 63.41 1yhq s VAL 73 Cb -0.16 -3.93 -0.18 0.00 0.00 0.00 0.00 36.38 32.12 1yhq s VAL 73 CO 0.04 -0.08 0.08 0.52 0.00 0.00 0.00 175.10 175.65 1yhq n VAL 74 N 5.10 0.83 -3.92 2.92 0.31 0.57 -1.69 118.33 122.46 1yhq n VAL 74 Ca 0.13 -0.55 -0.10 0.00 -0.01 0.00 0.00 64.34 63.81 1yhq n VAL 74 Cb 0.45 -0.54 -0.11 0.00 -0.91 0.00 0.00 33.84 32.73 1yhq n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1yhq s ARG 75 N -2.41 0.38 -0.01 5.55 0.52 -0.85 -3.53 118.95 118.60 1yhq s ARG 75 Ca -0.07 -0.45 -0.18 0.00 -0.52 0.00 0.00 55.73 54.51 1yhq s ARG 75 Cb 0.05 0.15 0.03 0.00 0.52 0.00 0.00 34.95 35.70 1yhq s ARG 75 CO 0.57 -0.08 0.40 1.14 0.02 0.00 0.00 175.30 177.34 1yhq s GLN 76 N -1.30 0.80 0.14 3.54 -2.07 -1.14 -0.81 119.66 118.82 1yhq s GLN 76 Ca -0.14 -0.17 -0.03 0.00 -1.82 0.00 0.00 55.36 53.20 1yhq s GLN 76 Cb -0.08 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.15 1yhq s GLN 76 CO 0.00 -0.24 1.35 0.00 -1.32 0.00 0.00 175.29 175.08 1yhq h ARG 77 N 3.50 0.41 -6.75 9.60 3.08 -1.75 -2.22 114.38 120.24 1yhq h ARG 77 Ca -0.30 -0.40 -0.52 0.00 0.07 0.00 0.00 59.98 58.83 1yhq h ARG 77 Cb 1.18 0.10 0.05 0.00 0.08 0.00 0.00 29.97 31.38 1yhq h ARG 77 CO 0.41 1.06 0.71 0.21 -1.07 0.00 0.00 179.97 181.29 1yhq s LYS 78 N -3.39 4.32 0.85 0.04 2.47 -1.26 -4.27 119.74 118.50 1yhq s LYS 78 Ca -0.06 2.22 -0.12 0.00 -1.56 0.00 0.00 55.97 56.45 1yhq s LYS 78 Cb 0.09 -3.12 0.11 0.00 -1.46 0.00 0.00 37.83 33.45 1yhq s LYS 78 CO 0.86 -0.33 1.19 -2.14 0.16 0.00 0.00 175.35 175.09 1yhq s PRO 79 N -0.59 1.38 0.08 4.03 0.02 -1.26 -4.78 135.00 133.88 1yhq s PRO 79 Ca 0.57 1.70 0.04 0.00 0.02 0.00 0.00 61.00 63.33 1yhq s PRO 79 Cb -0.40 -1.75 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 1yhq s PRO 79 CO 0.44 -2.40 -0.11 0.96 -0.33 0.00 0.00 177.00 175.56 1yhq s ILE 80 N -2.31 0.94 -0.11 2.83 -4.36 -0.57 -3.86 121.20 113.76 1yhq s ILE 80 Ca 0.71 -1.42 -0.03 0.00 -0.26 0.00 0.00 60.65 59.65 1yhq s ILE 80 Cb -0.27 -1.12 -0.03 0.00 1.25 0.00 0.00 42.46 42.28 1yhq s ILE 80 CO 0.53 -0.41 0.02 -0.60 0.24 0.00 0.00 174.94 174.73 1yhq s ARG 81 N -2.20 3.21 0.18 0.37 3.52 0.42 -0.56 118.95 123.90 1yhq s ARG 81 Ca 0.00 -0.38 0.06 0.00 -0.13 0.00 0.00 55.73 55.28 1yhq s ARG 81 Cb -0.07 -2.90 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 1yhq s ARG 81 CO 0.01 0.62 0.14 1.03 -0.81 0.00 0.00 175.30 176.29 1yhq s ARG 82 N -0.64 2.87 0.42 5.12 0.52 -0.51 -0.85 118.95 125.88 1yhq s ARG 82 Ca 0.11 -0.92 0.30 0.00 -0.52 0.00 0.00 55.73 54.70 1yhq s ARG 82 Cb -0.12 -2.61 1.45 0.00 0.52 0.00 0.00 34.95 34.19 1yhq s ARG 82 CO 0.02 0.47 1.54 -2.30 0.02 0.00 0.00 175.30 175.05 1yhq n PRO 83 N -0.46 -0.04 -0.05 3.54 -0.02 -1.26 0.12 135.00 136.83 1yhq n PRO 83 Ca -0.08 1.25 0.05 0.00 -2.02 0.00 0.00 63.50 62.70 1yhq n PRO 83 Cb 0.55 -2.43 0.24 0.00 -0.02 0.00 0.00 33.50 31.84 1yhq n PRO 83 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1yhq n ASP 84 N -4.76 0.63 0.00 2.55 5.75 -1.26 -4.90 116.55 114.56 1yhq n ASP 84 Ca 0.39 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 1yhq n ASP 84 Cb 1.50 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 41.53 1yhq n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yhq n GLY 85 N 0.79 2.76 3.69 6.12 0.00 0.31 -5.04 105.19 113.82 1yhq n GLY 85 Ca 0.09 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1yhq n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yhq n THR 86 N 0.00 3.03 -3.81 2.61 -1.04 -1.25 -4.54 114.28 109.27 1yhq n THR 86 Ca 0.00 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.20 1yhq n THR 86 Cb 0.00 -1.47 -0.04 0.00 -1.82 0.00 0.00 70.33 67.00 1yhq n THR 86 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1yhq s ARG 87 N -2.43 3.51 -0.06 -2.82 1.81 -1.26 -1.42 118.95 116.28 1yhq s ARG 87 Ca 0.66 -0.31 0.01 0.00 -1.72 0.00 0.00 55.73 54.37 1yhq s ARG 87 Cb -0.48 -2.95 0.02 0.00 -0.45 0.00 0.00 34.95 31.09 1yhq s ARG 87 CO 0.54 0.54 -0.06 0.08 -0.68 0.00 0.00 175.30 175.72 1yhq s VAL 88 N -1.59 0.70 0.05 3.52 1.01 0.27 -4.91 120.40 119.44 1yhq s VAL 88 Ca 0.37 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1yhq s VAL 88 Cb -0.12 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1yhq s VAL 88 CO 0.27 0.28 -0.07 -1.59 0.00 0.00 0.00 175.10 173.99 1yhq s LYS 89 N 1.13 0.54 0.50 2.72 -2.85 -1.26 -1.51 119.74 119.01 1yhq s LYS 89 Ca -0.07 -0.83 0.07 0.00 -1.00 0.00 0.00 55.97 54.14 1yhq s LYS 89 Cb -0.14 -0.20 0.03 0.00 -2.06 0.00 0.00 37.83 35.46 1yhq s LYS 89 CO -0.01 0.02 0.49 -0.06 0.10 0.00 0.00 175.35 175.89 1yhq s PHE 90 N -1.80 2.01 -0.40 1.78 0.40 -0.84 -5.03 117.98 114.11 1yhq s PHE 90 Ca -0.07 -0.67 0.23 0.00 -0.60 0.00 0.00 56.93 55.81 1yhq s PHE 90 Cb -0.07 -2.10 0.28 0.00 0.51 0.00 0.00 43.02 41.64 1yhq s PHE 90 CO -0.01 -0.51 1.51 1.49 0.70 0.00 0.00 175.22 178.40 1yhq h GLU 91 N 0.71 0.00 0.00 0.44 4.22 -1.93 -3.39 114.58 114.63 1yhq h GLU 91 Ca -0.37 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 58.90 1yhq h GLU 91 Cb 1.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1yhq h GLU 91 CO 0.53 0.01 0.03 -0.40 -2.18 0.00 0.00 179.01 177.00 1yhq n ASP 92 N -3.03 -1.70 -4.51 1.04 5.75 -1.26 -4.94 116.55 107.91 1yhq n ASP 92 Ca 0.03 -2.71 -0.34 0.00 -0.01 0.00 0.00 54.79 51.77 1yhq n ASP 92 Cb 0.54 2.98 -0.12 0.00 -1.03 0.00 0.00 41.12 43.49 1yhq n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1yhq s ASN 93 N -3.06 4.84 -0.01 -1.12 0.01 -1.26 -2.90 114.94 111.45 1yhq s ASN 93 Ca 0.23 -0.12 -0.12 0.00 -0.71 0.00 0.00 52.86 52.14 1yhq s ASN 93 Cb -0.03 -1.79 0.02 0.00 0.41 0.00 0.00 41.25 39.86 1yhq s ASN 93 CO 0.16 0.17 0.25 0.00 -1.51 0.00 0.00 177.10 176.18 1yhq s ALA 94 N 0.36 -0.63 0.06 0.60 0.00 0.01 -1.71 121.76 120.45 1yhq s ALA 94 Ca -0.04 0.17 -0.00 0.00 0.00 0.00 0.00 51.96 52.09 1yhq s ALA 94 Cb -0.14 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1yhq s ALA 94 CO 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 175.76 175.51 1yhq s ALA 95 N -1.34 0.62 -0.14 0.00 0.00 -0.15 -0.31 121.76 120.43 1yhq s ALA 95 Ca -0.14 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.63 1yhq s ALA 95 Cb -0.06 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.30 1yhq s ALA 95 CO 0.03 -0.32 -0.21 0.08 0.00 0.00 0.00 175.76 175.34 1yhq s VAL 96 N -3.70 1.99 0.50 0.00 1.01 -0.13 -1.07 120.40 119.00 1yhq s VAL 96 Ca 0.07 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.88 1yhq s VAL 96 Cb 0.06 -1.77 -0.07 0.00 0.00 0.00 0.00 36.38 34.61 1yhq s VAL 96 CO -0.08 0.54 1.39 -0.63 0.00 0.00 0.00 175.10 176.31 1yhq s ILE 97 N 0.87 2.10 0.03 2.22 1.01 -1.26 -1.28 121.20 124.90 1yhq s ILE 97 Ca -0.06 0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 1yhq s ILE 97 Cb -0.15 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 1yhq s ILE 97 CO -0.03 0.01 0.03 -0.69 0.00 0.00 0.00 174.94 174.26 1yhq s VAL 98 N -1.26 0.14 0.00 2.92 1.01 -0.26 -2.16 120.40 120.80 1yhq s VAL 98 Ca 0.66 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1yhq s VAL 98 Cb -0.42 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1yhq s VAL 98 CO 0.51 -0.65 0.00 -0.90 0.00 0.00 0.00 175.10 174.06 1yhq n ASP 99 N 0.91 0.00 -0.23 3.32 5.68 -0.91 -4.09 116.55 121.23 1yhq n ASP 99 Ca -0.20 -0.75 0.05 0.00 -0.50 0.00 0.00 54.79 53.39 1yhq n ASP 99 Cb 0.58 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.86 1yhq n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1yhq h GLU 100 N 0.00 0.84 -0.08 0.11 5.08 -2.00 -1.85 114.58 116.69 1yhq h GLU 100 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1yhq h GLU 100 Cb 0.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1yhq h GLU 100 CO 0.00 0.56 0.00 0.09 -1.00 0.00 0.00 179.01 178.66 1yhq n ASN 101 N -4.48 1.33 -0.28 1.42 3.02 -1.26 -4.92 115.26 110.09 1yhq n ASN 101 Ca 0.12 -1.55 -0.04 0.00 -0.03 0.00 0.00 54.58 53.08 1yhq n ASN 101 Cb 0.21 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 1yhq n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1yhq n GLU 102 N 0.07 -0.25 -3.27 3.52 1.02 -0.69 -5.03 120.64 116.00 1yhq n GLU 102 Ca 0.18 0.61 -0.38 0.00 -0.02 0.00 0.00 57.16 57.54 1yhq n GLU 102 Cb 0.30 -4.27 -0.06 0.00 -0.02 0.00 0.00 31.44 27.39 1yhq n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1yhq s ASP 103 N -2.96 6.91 0.22 1.62 1.01 -1.26 -4.55 116.67 117.66 1yhq s ASP 103 Ca 0.00 1.08 -0.32 0.00 0.71 0.00 0.00 52.55 54.02 1yhq s ASP 103 Cb 0.00 -2.33 -0.13 0.00 1.01 0.00 0.00 42.92 41.47 1yhq s ASP 103 CO 0.00 0.13 1.54 -0.81 0.21 0.00 0.00 175.17 176.24 1yhq n PRO 104 N 2.67 2.31 0.03 8.23 -0.04 -1.26 -2.14 135.00 144.80 1yhq n PRO 104 Ca -0.08 0.83 -0.02 0.00 -0.04 0.00 0.00 63.50 64.18 1yhq n PRO 104 Cb 0.51 -2.57 0.23 0.00 -0.04 0.00 0.00 33.50 31.63 1yhq n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1yhq h ARG 105 N 5.23 0.43 -7.41 0.54 2.43 -1.76 -3.45 114.38 110.40 1yhq h ARG 105 Ca -0.45 -0.15 -0.46 0.00 -0.81 0.00 0.00 59.98 58.11 1yhq h ARG 105 Cb 1.25 -0.03 0.12 0.00 -0.42 0.00 0.00 29.97 30.88 1yhq h ARG 105 CO 0.83 0.65 0.24 0.20 -1.51 0.00 0.00 179.97 180.38 1yhq s GLY 106 N -4.02 1.77 -0.15 2.80 0.00 -1.26 -4.96 107.32 101.50 1yhq s GLY 106 Ca -0.06 -1.49 0.07 0.00 0.00 0.00 0.00 44.72 43.23 1yhq s GLY 106 CO 0.78 -0.85 0.26 2.41 0.00 0.00 0.00 173.10 175.70 1yhq n THR 107 N -3.21 1.57 -4.23 0.90 -1.04 -1.26 -4.98 114.28 102.03 1yhq n THR 107 Ca 0.15 -0.73 -0.20 0.00 -2.04 0.00 0.00 64.05 61.22 1yhq n THR 107 Cb 0.60 -1.14 -0.12 0.00 -1.82 0.00 0.00 70.33 67.84 1yhq n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1yhq s GLU 108 N -2.55 0.94 -0.12 -2.82 2.02 -1.26 -5.03 118.70 109.87 1yhq s GLU 108 Ca -0.17 -1.01 -0.04 0.00 0.02 0.00 0.00 54.97 53.77 1yhq s GLU 108 Cb 0.07 -1.03 -0.03 0.00 0.10 0.00 0.00 34.13 33.24 1yhq s GLU 108 CO 0.77 0.24 0.02 -0.51 0.02 0.00 0.00 175.26 175.80 1yhq s LEU 109 N -1.75 3.67 -0.16 1.80 1.43 -1.25 -2.70 118.68 119.73 1yhq s LEU 109 Ca 0.01 0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.15 1yhq s LEU 109 Cb -0.10 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1yhq s LEU 109 CO 0.03 0.30 0.12 -0.54 0.23 0.00 0.00 176.35 176.49 1yhq s LYS 110 N -0.41 3.81 0.00 1.70 1.02 -0.74 -4.57 119.74 120.55 1yhq s LYS 110 Ca 0.08 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.87 1yhq s LYS 110 Cb -0.12 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1yhq s LYS 110 CO 0.02 0.51 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 1yhq n GLY 111 N 2.82 -1.41 3.88 -3.33 0.00 -1.26 -4.76 105.19 101.13 1yhq n GLY 111 Ca -0.18 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 1yhq n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yhq s PRO 112 N -1.37 3.37 0.26 1.61 0.04 -1.26 -4.47 135.00 133.17 1yhq s PRO 112 Ca 0.00 0.64 0.08 0.00 0.04 0.00 0.00 61.00 61.76 1yhq s PRO 112 Cb 0.00 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1yhq s PRO 112 CO 0.00 -0.70 -0.10 0.42 0.04 0.00 0.00 177.00 176.65 1yhq s ILE 113 N -3.22 1.81 -0.02 0.56 1.01 -0.47 -4.84 121.20 116.04 1yhq s ILE 113 Ca 0.56 -2.19 -0.17 0.00 0.00 0.00 0.00 60.65 58.85 1yhq s ILE 113 Cb -0.11 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 1yhq s ILE 113 CO 0.53 -0.40 0.47 0.00 0.00 0.00 0.00 174.94 175.54 1yhq s ALA 114 N -2.91 3.60 0.43 9.38 0.00 -1.23 -0.21 121.76 130.81 1yhq s ALA 114 Ca 0.27 -0.14 0.16 0.00 0.00 0.00 0.00 51.96 52.25 1yhq s ALA 114 Cb 0.01 -2.54 1.06 0.00 0.00 0.00 0.00 23.12 21.66 1yhq s ALA 114 CO 0.11 0.30 1.92 0.07 0.00 0.00 0.00 175.76 178.16 1yhq h ARG 115 N 5.32 0.39 -0.40 0.00 0.11 -0.93 -1.13 114.38 117.74 1yhq h ARG 115 Ca -0.48 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.57 1yhq h ARG 115 Cb 1.20 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.18 1yhq h ARG 115 CO 0.67 0.26 0.19 0.93 0.10 0.00 0.00 179.97 182.11 1yhq h GLU 116 N 0.40 0.55 -0.07 0.08 3.07 -1.85 -1.71 114.58 115.06 1yhq h GLU 116 Ca 0.37 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 59.09 1yhq h GLU 116 Cb 0.88 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 1yhq h GLU 116 CO -0.12 0.43 -0.36 0.28 -1.40 0.00 0.00 179.01 177.85 1yhq h VAL 117 N 0.55 1.28 -0.39 3.13 2.07 -1.55 -2.88 116.25 118.46 1yhq h VAL 117 Ca 0.14 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.34 1yhq h VAL 117 Cb 0.07 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1yhq h VAL 117 CO -0.02 0.39 0.25 0.00 0.02 0.00 0.00 177.57 178.21 1yhq h ALA 118 N 1.52 0.50 -0.45 1.67 0.00 -1.31 0.23 119.26 121.42 1yhq h ALA 118 Ca 0.01 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1yhq h ALA 118 Cb 0.69 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1yhq h ALA 118 CO 0.05 -0.07 -0.10 1.96 0.00 0.00 0.00 179.25 181.09 1yhq h GLN 119 N 0.51 0.01 0.15 0.00 4.20 -1.42 -3.11 115.11 115.45 1yhq h GLN 119 Ca 0.15 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1yhq h GLN 119 Cb -0.03 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1yhq h GLN 119 CO -0.05 0.00 -0.07 0.00 -0.67 0.00 0.00 178.83 178.04 1yhq h ARG 120 N 0.01 -0.20 -3.88 1.46 3.08 -1.49 -3.41 114.38 109.95 1yhq h ARG 120 Ca 0.21 0.01 -0.68 0.00 0.07 0.00 0.00 59.98 59.60 1yhq h ARG 120 Cb 0.33 0.04 -0.37 0.00 0.08 0.00 0.00 29.97 30.05 1yhq h ARG 120 CO -0.45 0.23 -0.50 -0.06 -1.07 0.00 0.00 179.97 178.12 1yhq s PHE 121 N -3.90 3.44 0.10 3.04 0.40 0.04 -4.97 117.98 116.14 1yhq s PHE 121 Ca -0.14 -2.77 -0.20 0.00 -0.60 0.00 0.00 56.93 53.23 1yhq s PHE 121 Cb 0.01 -3.10 -0.08 0.00 0.51 0.00 0.00 43.02 40.36 1yhq s PHE 121 CO 0.55 -0.86 1.68 0.78 0.70 0.00 0.00 175.22 178.06 1yhq h GLY 122 N 7.23 0.32 2.00 4.36 0.00 -1.78 -1.66 103.07 113.54 1yhq h GLY 122 Ca -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1yhq h GLY 122 CO 0.69 0.15 -0.11 1.48 0.00 0.00 0.00 176.54 178.74 1yhq h SER 123 N 0.21 0.00 0.06 0.19 4.64 -1.90 0.38 113.55 117.13 1yhq h SER 123 Ca 0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1yhq h SER 123 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1yhq h SER 123 CO -0.01 0.11 -0.03 0.58 -0.87 0.00 0.00 176.83 176.62 1yhq h VAL 124 N 0.00 1.26 -0.57 0.95 2.07 -1.72 -3.26 116.25 114.99 1yhq h VAL 124 Ca -0.00 -1.23 0.04 0.00 0.82 0.00 0.00 66.70 66.34 1yhq h VAL 124 Cb 0.24 2.05 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 1yhq h VAL 124 CO 0.01 0.30 0.31 0.00 0.02 0.00 0.00 177.57 178.21 1yhq h ALA 125 N 0.22 0.73 0.00 1.67 0.00 -0.53 -2.01 119.26 119.35 1yhq h ALA 125 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yhq h ALA 125 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1yhq h ALA 125 CO 0.01 -0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1yhq n SER 126 N -4.83 2.36 0.00 0.00 3.41 0.13 -0.04 113.62 114.65 1yhq n SER 126 Ca 0.06 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 1yhq n SER 126 Cb 0.13 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1yhq n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yhq n ALA 127 N 1.03 0.00 -1.77 7.33 0.00 -0.76 -4.98 120.51 121.36 1yhq n ALA 127 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1yhq n ALA 127 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 1yhq n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yhq s ALA 128 N 0.00 3.23 -0.10 0.00 0.00 0.95 -3.79 121.76 122.05 1yhq s ALA 128 Ca 0.00 0.93 0.07 0.00 0.00 0.00 0.00 51.96 52.95 1yhq s ALA 128 Cb 0.00 -3.36 -0.24 0.00 0.00 0.00 0.00 23.12 19.52 1yhq s ALA 128 CO 0.00 -0.40 0.43 2.41 0.00 0.00 0.00 175.76 178.20 1yhq n THR 129 N 0.36 1.63 -4.17 0.00 -1.04 -1.26 -4.90 114.28 104.88 1yhq n THR 129 Ca 0.03 -0.74 -0.16 0.00 -2.04 0.00 0.00 64.05 61.13 1yhq n THR 129 Cb 0.46 -1.21 -0.15 0.00 -1.82 0.00 0.00 70.33 67.62 1yhq n THR 129 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1yhq s MET 130 N -2.57 0.46 -0.16 -2.82 -1.94 -1.26 -5.09 119.30 105.92 1yhq s MET 130 Ca -0.13 -0.19 -0.02 0.00 -1.71 0.00 0.00 55.69 53.64 1yhq s MET 130 Cb 0.07 -0.45 0.05 0.00 2.01 0.00 0.00 34.83 36.51 1yhq s MET 130 CO 0.79 0.11 0.00 0.42 -0.01 0.00 0.00 175.02 176.33 1yhq s ILE 131 N -0.07 0.68 -0.76 2.53 1.01 -1.26 -1.36 121.20 121.96 1yhq s ILE 131 Ca 0.01 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.26 1yhq s ILE 131 Cb -0.03 -1.03 0.05 0.00 0.01 0.00 0.00 42.46 41.46 1yhq s ILE 131 CO -0.00 -0.03 0.69 0.52 0.00 0.00 0.00 174.94 176.12