#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hk4 s THR 2 N 0.00 1.93 0.21 2.61 -4.23 -1.26 -5.14 115.64 109.76 3hk4 s THR 2 Ca 0.00 -2.10 -0.09 0.00 -1.18 0.00 0.00 61.69 58.33 3hk4 s THR 2 Cb 0.00 -2.75 0.15 0.00 1.34 0.00 0.00 72.50 71.24 3hk4 s THR 2 CO 0.00 -0.12 1.80 0.40 -0.54 0.00 0.00 174.62 176.16 3hk4 h ILE 3 N 1.99 1.25 -0.80 2.99 1.08 -1.99 -2.55 117.51 119.47 3hk4 h ILE 3 Ca -0.42 -0.70 0.05 0.00 -0.39 0.00 0.00 64.86 63.40 3hk4 h ILE 3 Cb 1.24 0.27 -0.05 0.00 -3.07 0.00 0.00 36.82 35.21 3hk4 h ILE 3 CO 0.73 0.30 0.50 0.00 -0.69 0.00 0.00 178.15 178.99 3hk4 h ALA 4 N 1.19 1.08 0.17 1.87 0.00 -1.98 0.35 119.26 121.94 3hk4 h ALA 4 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3hk4 h ALA 4 Cb 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hk4 h ALA 4 CO -0.03 0.27 -0.08 0.93 0.00 0.00 0.00 179.25 180.34 3hk4 h GLU 5 N 0.94 -0.22 -0.31 0.00 5.08 -1.95 -1.09 114.58 117.03 3hk4 h GLU 5 Ca 0.34 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.76 3hk4 h GLU 5 Cb 0.10 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3hk4 h GLU 5 CO -0.14 0.01 0.06 0.82 -1.00 0.00 0.00 179.01 178.76 3hk4 h ILE 6 N -0.43 0.85 -0.58 3.13 2.04 -1.39 -0.76 117.51 120.37 3hk4 h ILE 6 Ca -0.02 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.81 3hk4 h ILE 6 Cb 0.34 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3hk4 h ILE 6 CO 0.04 0.03 0.34 0.00 0.00 0.00 0.00 178.15 178.56 3hk4 h ALA 7 N 1.23 0.75 -0.40 1.87 0.00 -0.85 -0.29 119.26 121.58 3hk4 h ALA 7 Ca 0.15 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3hk4 h ALA 7 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hk4 h ALA 7 CO -0.19 0.05 -0.01 -0.22 0.00 0.00 0.00 179.25 178.88 3hk4 h LYS 8 N 0.66 0.70 0.17 0.00 3.64 -0.97 -1.52 116.57 119.26 3hk4 h LYS 8 Ca 0.24 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3hk4 h LYS 8 Cb 0.05 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3hk4 h LYS 8 CO -0.12 0.80 -0.08 0.22 -2.27 0.00 0.00 179.45 178.00 3hk4 h ASP 9 N 0.53 -0.19 -0.70 4.20 3.58 -0.80 -1.44 116.42 121.59 3hk4 h ASP 9 Ca 0.11 -0.18 0.09 0.00 0.42 0.00 0.00 57.03 57.47 3hk4 h ASP 9 Cb 0.49 0.05 -0.07 0.00 1.72 0.00 0.00 39.33 41.52 3hk4 h ASP 9 CO 0.02 0.08 0.35 0.15 -2.88 0.00 0.00 179.24 176.96 3hk4 h PHE 10 N -0.47 0.62 -0.39 0.28 3.57 -1.08 -0.45 116.94 119.02 3hk4 h PHE 10 Ca -0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3hk4 h PHE 10 Cb 0.36 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3hk4 h PHE 10 CO 0.00 0.22 0.09 1.15 -2.23 0.00 0.00 178.31 177.55 3hk4 h THR 11 N 0.59 1.23 -0.63 4.41 2.02 -1.16 -1.08 112.91 118.29 3hk4 h THR 11 Ca 0.35 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 3hk4 h THR 11 Cb 0.37 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3hk4 h THR 11 CO -0.27 0.28 0.29 -0.33 0.37 0.00 0.00 175.52 175.86 3hk4 h GLU 12 N 0.49 0.91 -0.62 6.66 5.08 -0.66 0.47 114.58 126.92 3hk4 h GLU 12 Ca 0.12 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hk4 h GLU 12 Cb 0.32 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3hk4 h GLU 12 CO 0.00 0.74 0.40 -0.07 -1.00 0.00 0.00 179.01 179.08 3hk4 h LEU 13 N 0.86 0.72 -0.29 1.33 3.38 -0.86 -0.76 115.31 119.69 3hk4 h LEU 13 Ca 0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3hk4 h LEU 13 Cb 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hk4 h LEU 13 CO -0.02 0.53 0.10 -0.07 0.09 0.00 0.00 178.44 179.07 3hk4 h LEU 14 N 0.84 0.41 -1.12 1.67 3.38 -0.72 0.69 115.31 120.46 3hk4 h LEU 14 Ca 0.23 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.11 3hk4 h LEU 14 Cb -0.08 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 3hk4 h LEU 14 CO -0.05 0.49 0.60 0.11 0.09 0.00 0.00 178.44 179.69 3hk4 h LYS 15 N 0.31 0.91 0.00 1.13 1.57 -0.69 -0.99 116.57 118.81 3hk4 h LYS 15 Ca 0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3hk4 h LYS 15 Cb 0.22 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3hk4 h LYS 15 CO -0.00 0.60 0.00 1.04 -0.57 0.00 0.00 179.45 180.52 3hk4 n GLN 16 N -4.56 0.10 -0.38 3.15 6.02 -0.31 -4.89 117.38 116.51 3hk4 n GLN 16 Ca 0.17 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 3hk4 n GLN 16 Cb 0.32 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.08 3hk4 n GLN 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hk4 n GLY 17 N 0.72 0.77 2.50 1.08 0.00 -0.38 -4.97 105.19 104.91 3hk4 n GLY 17 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3hk4 n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hk4 n ASP 18 N 0.00 7.95 -0.21 1.61 2.03 0.18 -4.67 116.55 123.44 3hk4 n ASP 18 Ca 0.00 -3.21 -0.07 0.00 0.52 0.00 0.00 54.79 52.03 3hk4 n ASP 18 Cb 0.00 -1.34 0.03 0.00 -0.72 0.00 0.00 41.12 39.09 3hk4 n ASP 18 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3hk4 h ASN 19 N 4.56 0.77 0.01 1.67 2.35 -1.86 -1.10 115.58 121.98 3hk4 h ASN 19 Ca 0.68 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 56.22 3hk4 h ASN 19 Cb 0.31 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3hk4 h ASN 19 CO 1.44 0.68 -0.23 0.00 -1.65 0.00 0.00 177.43 177.67 3hk4 h ALA 20 N 1.12 1.22 -0.28 -0.83 0.00 -1.96 -2.04 119.26 116.48 3hk4 h ALA 20 Ca 0.20 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 3hk4 h ALA 20 Cb 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hk4 h ALA 20 CO -0.03 0.51 -0.49 0.78 0.00 0.00 0.00 179.25 180.02 3hk4 h GLY 21 N 0.99 0.91 1.00 0.00 0.00 -1.78 -1.20 103.07 102.99 3hk4 h GLY 21 Ca 0.05 -1.05 -0.03 0.00 0.00 0.00 0.00 47.33 46.30 3hk4 h GLY 21 CO 0.04 0.94 0.26 0.00 0.00 0.00 0.00 176.54 177.78 3hk4 h ALA 22 N 0.68 0.81 -0.08 3.60 0.00 -1.10 0.01 119.26 123.17 3hk4 h ALA 22 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3hk4 h ALA 22 Cb 1.09 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3hk4 h ALA 22 CO 0.11 0.41 0.02 0.00 0.00 0.00 0.00 179.25 179.80 3hk4 h ALA 23 N 1.10 0.11 -0.63 0.00 0.00 -1.30 -0.71 119.26 117.82 3hk4 h ALA 23 Ca 0.21 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3hk4 h ALA 23 Cb 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3hk4 h ALA 23 CO -0.02 -0.28 0.12 1.49 0.00 0.00 0.00 179.25 180.56 3hk4 h GLU 24 N -0.06 1.02 -0.33 0.00 4.22 -1.10 -0.09 114.58 118.23 3hk4 h GLU 24 Ca 0.03 -0.25 -0.15 0.00 0.08 0.00 0.00 59.36 59.06 3hk4 h GLU 24 Cb 0.22 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3hk4 h GLU 24 CO -0.00 0.93 -0.39 -0.22 -2.18 0.00 0.00 179.01 177.15 3hk4 h LYS 25 N 0.96 0.80 0.00 1.92 3.64 -0.84 -3.39 116.57 119.66 3hk4 h LYS 25 Ca 0.20 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3hk4 h LYS 25 Cb 0.40 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3hk4 h LYS 25 CO 0.01 1.04 -1.15 0.66 -2.27 0.00 0.00 179.45 177.74 3hk4 n TYR 26 N -4.05 0.00 -2.38 1.91 4.01 -0.29 -5.01 117.16 111.36 3hk4 n TYR 26 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 3hk4 n TYR 26 Cb 0.53 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 39.41 3hk4 n TYR 26 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3hk4 s ASN 27 N -2.52 7.11 0.55 7.72 0.01 -0.06 0.13 114.94 127.89 3hk4 s ASN 27 Ca -0.02 2.30 -0.19 0.00 -0.71 0.00 0.00 52.86 54.25 3hk4 s ASN 27 Cb 0.04 -2.62 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 3hk4 s ASN 27 CO 0.23 -0.31 1.09 0.00 -1.51 0.00 0.00 177.10 176.60 3hk4 s ALA 28 N -0.59 2.73 0.52 0.60 0.00 0.22 -4.73 121.76 120.50 3hk4 s ALA 28 Ca 0.49 0.67 0.21 0.00 0.00 0.00 0.00 51.96 53.33 3hk4 s ALA 28 Cb -0.33 -3.31 1.31 0.00 0.00 0.00 0.00 23.12 20.80 3hk4 s ALA 28 CO 0.40 -0.70 2.06 -0.44 0.00 0.00 0.00 175.76 177.08 3hk4 h ASP 29 N 1.07 0.03 -0.68 0.00 3.32 -1.94 -1.23 116.42 116.99 3hk4 h ASP 29 Ca -0.49 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.20 3hk4 h ASP 29 Cb 1.24 -0.01 -0.21 0.00 0.22 0.00 0.00 39.33 40.57 3hk4 h ASP 29 CO 0.57 0.02 0.29 -0.90 -1.72 0.00 0.00 179.24 177.50 3hk4 n ASP 30 N -4.45 3.18 -4.66 6.45 5.75 -1.26 -0.55 116.55 121.01 3hk4 n ASP 30 Ca 0.05 -3.71 -0.46 0.00 -0.01 0.00 0.00 54.79 50.66 3hk4 n ASP 30 Cb 0.38 -0.74 -0.03 0.00 -1.03 0.00 0.00 41.12 39.69 3hk4 n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hk4 n ILE 31 N -1.13 0.67 -3.92 2.12 3.06 -0.46 -4.35 119.36 115.34 3hk4 n ILE 31 Ca 0.47 -0.17 -0.35 0.00 -2.50 0.00 0.00 62.75 60.20 3hk4 n ILE 31 Cb 1.34 -1.42 -0.09 0.00 0.54 0.00 0.00 39.64 40.02 3hk4 n ILE 31 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hk4 s ALA 32 N 0.20 3.55 -0.10 1.51 0.00 -0.67 -1.16 121.76 125.09 3hk4 s ALA 32 Ca 0.72 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3hk4 s ALA 32 Cb -0.68 -1.98 0.01 0.00 0.00 0.00 0.00 23.12 20.46 3hk4 s ALA 32 CO 0.47 0.25 -0.19 0.45 0.00 0.00 0.00 175.76 176.74 3hk4 s SER 33 N 0.12 2.61 -0.25 0.00 0.15 0.32 -1.32 113.70 115.33 3hk4 s SER 33 Ca 0.07 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.26 3hk4 s SER 33 Cb -0.12 -1.20 0.07 0.00 -1.71 0.00 0.00 66.02 63.06 3hk4 s SER 33 CO -0.00 0.09 -0.04 -0.31 1.20 0.00 0.00 173.24 174.18 3hk4 s TYR 34 N 0.60 2.61 0.55 3.44 2.02 -0.37 -0.63 117.35 125.57 3hk4 s TYR 34 Ca -0.14 -1.95 -0.16 0.00 -0.37 0.00 0.00 57.07 54.44 3hk4 s TYR 34 Cb -0.17 -1.76 -0.06 0.00 -0.40 0.00 0.00 41.96 39.58 3hk4 s TYR 34 CO 0.04 -0.81 1.02 -1.21 -1.57 0.00 0.00 175.55 173.02 3hk4 s GLU 35 N 1.32 3.65 -0.68 -0.62 0.41 -0.41 -0.94 118.70 121.43 3hk4 s GLU 35 Ca -0.04 1.08 -0.07 0.00 -0.41 0.00 0.00 54.97 55.53 3hk4 s GLU 35 Cb -0.19 -2.09 -0.14 0.00 -1.78 0.00 0.00 34.13 29.93 3hk4 s GLU 35 CO -0.07 -0.53 2.82 0.00 -0.49 0.00 0.00 175.26 176.98 3hk4 n ALA 36 N -1.80 5.88 -2.50 5.21 0.00 -1.14 -4.79 120.51 121.36 3hk4 n ALA 36 Ca 0.08 -2.20 -0.24 0.00 0.00 0.00 0.00 53.44 51.08 3hk4 n ALA 36 Cb 0.53 -2.77 -0.10 0.00 0.00 0.00 0.00 19.45 17.11 3hk4 n ALA 36 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hk4 s GLU 38 N 2.05 1.78 0.00 0.00 2.02 -1.26 -4.90 118.70 118.39 3hk4 s GLU 38 Ca 0.56 -1.66 0.00 0.00 0.02 0.00 0.00 54.97 53.88 3hk4 s GLU 38 Cb 0.20 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.57 3hk4 s GLU 38 CO -0.03 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.01 3hk4 n GLY 39 N -0.54 2.94 1.21 -1.39 0.00 -1.26 -4.84 105.19 101.31 3hk4 n GLY 39 Ca -0.06 -1.52 -0.03 0.00 0.00 0.00 0.00 46.02 44.40 3hk4 n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hk4 n PRO 40 N -1.69 1.17 0.00 1.61 -0.04 -1.26 -4.65 135.00 130.14 3hk4 n PRO 40 Ca 0.00 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.05 3hk4 n PRO 40 Cb 0.00 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 3hk4 n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hk4 n ALA 42 N 0.38 0.00 -3.38 0.55 0.00 -1.26 -5.05 120.51 111.74 3hk4 n ALA 42 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 3hk4 n ALA 42 Cb 0.64 -0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.88 3hk4 n ALA 42 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hk4 s VAL 43 N -1.98 3.07 0.01 0.00 1.01 -1.26 -1.29 120.40 119.96 3hk4 s VAL 43 Ca 0.00 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.41 3hk4 s VAL 43 Cb 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3hk4 s VAL 43 CO 0.00 0.48 -0.16 -0.55 0.00 0.00 0.00 175.10 174.88 3hk4 s SER 44 N 0.93 1.86 -0.06 3.32 0.15 0.20 -4.98 113.70 115.12 3hk4 s SER 44 Ca -0.02 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.29 3hk4 s SER 44 Cb -0.15 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.00 3hk4 s SER 44 CO -0.00 0.14 -0.12 -1.00 1.20 0.00 0.00 173.24 173.46 3hk4 s HIS 45 N -0.55 1.39 0.00 3.44 3.76 -1.26 -0.52 115.29 121.55 3hk4 s HIS 45 Ca 0.05 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 3hk4 s HIS 45 Cb -0.07 -1.02 0.00 0.00 1.11 0.00 0.00 32.58 32.60 3hk4 s HIS 45 CO 0.00 -0.25 0.00 0.41 -0.85 0.00 0.00 174.74 174.05 3hk4 n GLY 46 N 3.74 3.00 0.15 -2.22 0.00 -0.31 -4.67 105.19 104.89 3hk4 n GLY 46 Ca -0.22 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 3hk4 n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hk4 h LYS 47 N 0.00 0.44 -0.16 1.61 3.64 -1.00 -2.41 116.57 118.69 3hk4 h LYS 47 Ca 0.00 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 59.05 3hk4 h LYS 47 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3hk4 h LYS 47 CO 0.00 0.78 -0.37 1.49 -2.27 0.00 0.00 179.45 179.09 3hk4 h GLU 48 N 0.10 0.34 -0.70 1.90 4.81 -1.93 -1.61 114.58 117.50 3hk4 h GLU 48 Ca 0.03 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3hk4 h GLU 48 Cb 0.69 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 3hk4 h GLU 48 CO 0.04 0.67 0.40 0.00 -0.73 0.00 0.00 179.01 179.39 3hk4 h ALA 49 N 1.32 0.89 -0.19 2.92 0.00 -1.81 -2.09 119.26 120.30 3hk4 h ALA 49 Ca 0.03 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3hk4 h ALA 49 Cb 0.79 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hk4 h ALA 49 CO 0.06 0.38 -0.36 1.25 0.00 0.00 0.00 179.25 180.58 3hk4 h LEU 50 N 0.95 0.42 -0.89 0.00 5.85 -0.88 -0.60 115.31 120.16 3hk4 h LEU 50 Ca 0.25 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3hk4 h LEU 50 Cb -0.00 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3hk4 h LEU 50 CO -0.04 0.75 0.44 -0.09 -0.34 0.00 0.00 178.44 179.16 3hk4 h ARG 51 N 0.34 1.24 -0.20 1.25 2.43 -1.08 0.82 114.38 119.19 3hk4 h ARG 51 Ca 0.04 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 3hk4 h ARG 51 Cb 0.80 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3hk4 h ARG 51 CO 0.06 0.93 -0.11 1.96 -1.51 0.00 0.00 179.97 181.31 3hk4 h GLN 52 N 1.23 0.42 -0.71 0.20 4.20 -0.70 0.18 115.11 119.94 3hk4 h GLN 52 Ca 0.30 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 58.86 3hk4 h GLN 52 Cb 0.08 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.81 3hk4 h GLN 52 CO -0.04 0.73 0.44 -0.22 -0.67 0.00 0.00 178.83 179.06 3hk4 h LYS 53 N 0.11 0.83 -0.56 1.46 3.64 -1.02 0.78 116.57 121.81 3hk4 h LYS 53 Ca 0.04 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 3hk4 h LYS 53 Cb 0.61 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3hk4 h LYS 53 CO 0.03 0.55 0.02 0.77 -2.27 0.00 0.00 179.45 178.55 3hk4 h SER 54 N 0.85 0.95 -0.65 4.20 0.02 -0.64 0.71 113.55 118.99 3hk4 h SER 54 Ca 0.29 -0.30 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 3hk4 h SER 54 Cb 0.04 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 3hk4 h SER 54 CO -0.12 1.01 0.08 -0.61 -1.14 0.00 0.00 176.83 176.06 3hk4 h GLN 55 N 0.85 1.09 -0.10 3.45 5.75 -0.65 -2.14 115.11 123.37 3hk4 h GLN 55 Ca 0.16 -0.30 0.03 0.00 -0.15 0.00 0.00 58.65 58.39 3hk4 h GLN 55 Cb 0.51 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 3hk4 h GLN 55 CO 0.02 1.01 -0.08 2.35 -2.65 0.00 0.00 178.83 179.49 3hk4 h TRP 56 N 1.02 -0.19 -0.48 3.99 7.01 -0.33 -1.61 115.95 125.36 3hk4 h TRP 56 Ca 0.20 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.26 3hk4 h TRP 56 Cb 0.46 0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.58 3hk4 h TRP 56 CO 0.03 -0.12 0.20 2.35 -2.79 0.00 0.00 178.44 178.11 3hk4 h TRP 57 N -0.09 0.36 -0.96 2.65 7.01 -0.74 -2.46 115.95 121.72 3hk4 h TRP 57 Ca 0.07 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.10 3hk4 h TRP 57 Cb 0.19 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.11 3hk4 h TRP 57 CO -0.19 0.15 0.63 1.96 -2.79 0.00 0.00 178.44 178.20 3hk4 h GLN 58 N 0.40 1.28 0.00 2.65 1.08 -1.13 -1.90 115.11 117.48 3hk4 h GLN 58 Ca 0.22 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3hk4 h GLN 58 Cb 0.19 -0.29 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3hk4 h GLN 58 CO -0.19 0.85 0.00 0.93 -0.95 0.00 0.00 178.83 179.47 3hk4 h GLU 59 N 1.31 0.00 -0.18 1.46 4.39 -0.86 -3.17 114.58 117.53 3hk4 h GLU 59 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 3hk4 h GLU 59 Cb -0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3hk4 h GLU 59 CO -0.08 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.86 3hk4 n ASN 60 N -2.62 2.39 -3.87 1.42 3.02 -0.78 -4.98 115.26 109.84 3hk4 n ASN 60 Ca 0.01 -1.73 -0.11 0.00 -0.03 0.00 0.00 54.58 52.72 3hk4 n ASN 60 Cb 0.26 -0.11 -0.11 0.00 -0.61 0.00 0.00 39.78 39.20 3hk4 n ASN 60 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3hk4 s HIS 61 N -0.94 0.00 -0.25 3.10 3.76 -0.80 -0.40 115.29 119.76 3hk4 s HIS 61 Ca 0.17 -0.00 -0.09 0.00 -0.15 0.00 0.00 55.06 54.99 3hk4 s HIS 61 Cb 0.10 -0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.72 3hk4 s HIS 61 CO 0.14 -0.17 0.12 -2.00 -0.85 0.00 0.00 174.74 171.98 3hk4 s GLU 62 N -0.74 3.82 -0.18 1.40 2.12 -0.50 -4.78 118.70 119.86 3hk4 s GLU 62 Ca -0.08 -0.39 -0.16 0.00 0.36 0.00 0.00 54.97 54.69 3hk4 s GLU 62 Cb -0.05 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 3hk4 s GLU 62 CO 0.00 -0.13 0.40 0.08 -0.54 0.00 0.00 175.26 175.08 3hk4 s VAL 63 N 1.52 5.21 -0.90 3.70 1.01 -1.26 -0.48 120.40 129.19 3hk4 s VAL 63 Ca 0.06 0.75 0.01 0.00 0.00 0.00 0.00 61.98 62.79 3hk4 s VAL 63 Cb -0.15 -3.74 0.32 0.00 0.00 0.00 0.00 36.38 32.81 3hk4 s VAL 63 CO 0.06 0.29 1.51 1.41 0.00 0.00 0.00 175.10 178.37 3hk4 n HIS 64 N 4.15 3.08 -1.18 5.22 -0.00 0.02 -4.99 115.22 121.53 3hk4 n HIS 64 Ca -0.08 -3.01 0.00 0.00 -0.00 0.00 0.00 57.72 54.62 3hk4 n HIS 64 Cb 0.51 -0.99 0.00 0.00 -0.00 0.00 0.00 29.99 29.51 3hk4 n HIS 64 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3hk4 n GLY 65 N 0.10 0.44 1.86 -1.41 0.00 -1.26 -4.15 105.19 100.77 3hk4 n GLY 65 Ca 0.40 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3hk4 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hk4 n GLY 66 N 0.00 -1.79 3.16 -0.02 0.00 -1.26 -4.52 105.19 100.76 3hk4 n GLY 66 Ca 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 3hk4 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hk4 s SER 67 N -4.00 0.29 -0.13 1.61 1.04 0.50 -4.97 113.70 108.03 3hk4 s SER 67 Ca 0.00 -0.82 0.02 0.00 0.48 0.00 0.00 55.95 55.64 3hk4 s SER 67 Cb 0.00 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.41 3hk4 s SER 67 CO 0.00 -0.67 -0.20 -0.69 0.98 0.00 0.00 173.24 172.66 3hk4 s VAL 68 N -3.89 1.88 -0.08 5.02 1.01 -1.26 -2.27 120.40 120.81 3hk4 s VAL 68 Ca 0.06 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3hk4 s VAL 68 Cb 0.06 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3hk4 s VAL 68 CO -0.10 0.52 -0.13 -1.61 0.00 0.00 0.00 175.10 173.78 3hk4 s GLU 69 N 0.84 2.80 0.00 2.72 2.02 0.60 -4.96 118.70 122.73 3hk4 s GLU 69 Ca -0.08 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.25 3hk4 s GLU 69 Cb -0.15 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.59 3hk4 s GLU 69 CO -0.01 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.19 3hk4 n GLY 70 N 2.65 0.77 3.83 -1.39 0.00 -1.26 -0.67 105.19 109.12 3hk4 n GLY 70 Ca -0.18 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.46 3hk4 n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hk4 s PRO 71 N -1.17 3.94 -0.22 1.61 0.04 -1.26 -5.04 135.00 132.90 3hk4 s PRO 71 Ca 0.00 1.08 -0.03 0.00 0.04 0.00 0.00 61.00 62.09 3hk4 s PRO 71 Cb 0.00 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 3hk4 s PRO 71 CO 0.00 -0.28 -0.06 0.71 0.04 0.00 0.00 177.00 177.41 3hk4 s TYR 72 N -2.39 2.95 0.01 0.56 2.02 0.04 -4.94 117.35 115.59 3hk4 s TYR 72 Ca 0.61 -1.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 3hk4 s TYR 72 Cb -0.11 -2.08 -0.03 0.00 -0.40 0.00 0.00 41.96 39.34 3hk4 s TYR 72 CO 0.25 -0.60 -0.05 0.08 -1.57 0.00 0.00 175.55 173.65 3hk4 s VAL 73 N 1.44 3.76 -0.23 0.71 1.01 -1.26 -0.58 120.40 125.24 3hk4 s VAL 73 Ca 0.05 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 3hk4 s VAL 73 Cb -0.14 -2.66 0.11 0.00 0.00 0.00 0.00 36.38 33.69 3hk4 s VAL 73 CO -0.05 0.37 0.48 0.21 0.00 0.00 0.00 175.10 176.11 3hk4 s ASN 74 N -1.52 -0.48 1.86 3.32 3.84 -0.27 -5.00 114.94 116.68 3hk4 s ASN 74 Ca 0.18 1.02 0.00 0.00 0.21 0.00 0.00 52.86 54.28 3hk4 s ASN 74 Cb -0.11 1.60 0.00 0.00 -0.55 0.00 0.00 41.25 42.19 3hk4 s ASN 74 CO 0.09 -0.24 0.00 0.61 -2.79 0.00 0.00 177.10 174.77 3hk4 n GLY 75 N 5.40 3.27 0.73 1.21 0.00 -1.26 -1.99 105.19 112.56 3hk4 n GLY 75 Ca -0.08 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.83 3hk4 n GLY 75 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hk4 n ASP 76 N 5.80 2.05 -4.14 1.61 5.75 -1.26 -4.91 116.55 121.45 3hk4 n ASP 76 Ca 0.00 -2.15 -0.12 0.00 -0.01 0.00 0.00 54.79 52.52 3hk4 n ASP 76 Cb 0.00 -0.35 -0.10 0.00 -1.03 0.00 0.00 41.12 39.64 3hk4 n ASP 76 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3hk4 s GLN 77 N -1.64 0.76 0.03 0.11 -0.21 -0.84 -0.79 119.66 117.07 3hk4 s GLN 77 Ca 0.20 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.40 3hk4 s GLN 77 Cb 0.12 -0.26 -0.03 0.00 1.00 0.00 0.00 33.01 33.85 3hk4 s GLN 77 CO 0.10 0.01 -0.04 -0.59 -2.12 0.00 0.00 175.29 172.65 3hk4 s PHE 78 N -2.95 0.38 0.09 0.91 -0.71 -0.67 -1.11 117.98 113.92 3hk4 s PHE 78 Ca 0.06 -0.65 0.10 0.00 -1.04 0.00 0.00 56.93 55.39 3hk4 s PHE 78 Cb 0.01 -0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 41.52 3hk4 s PHE 78 CO -0.03 -0.22 -0.25 0.00 -1.34 0.00 0.00 175.22 173.38 3hk4 s ALA 79 N -2.04 2.19 0.07 1.99 0.00 0.25 0.08 121.76 124.30 3hk4 s ALA 79 Ca -0.10 -1.33 0.05 0.00 0.00 0.00 0.00 51.96 50.58 3hk4 s ALA 79 Cb -0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 3hk4 s ALA 79 CO -0.03 0.50 -0.13 -0.51 0.00 0.00 0.00 175.76 175.59 3hk4 s LEU 80 N -1.69 2.28 -0.15 0.00 1.43 -0.49 -0.78 118.68 119.29 3hk4 s LEU 80 Ca 0.11 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3hk4 s LEU 80 Cb -0.10 -0.46 -0.00 0.00 0.03 0.00 0.00 46.19 45.66 3hk4 s LEU 80 CO 0.04 -0.10 -0.16 -0.60 0.23 0.00 0.00 176.35 175.76 3hk4 s ARG 81 N -1.79 3.21 -0.16 1.70 3.00 0.16 -1.02 118.95 124.05 3hk4 s ARG 81 Ca -0.02 -0.76 -0.01 0.00 -1.00 0.00 0.00 55.73 53.93 3hk4 s ARG 81 Cb -0.10 -2.59 -0.01 0.00 0.00 0.00 0.00 34.95 32.25 3hk4 s ARG 81 CO 0.02 0.05 -0.10 -0.06 0.00 0.00 0.00 175.30 175.21 3hk4 s PHE 82 N 0.72 2.87 -0.18 5.12 0.08 0.65 -0.29 117.98 126.95 3hk4 s PHE 82 Ca -0.07 -0.76 -0.02 0.00 0.12 0.00 0.00 56.93 56.20 3hk4 s PHE 82 Cb -0.16 -1.93 0.06 0.00 -0.57 0.00 0.00 43.02 40.42 3hk4 s PHE 82 CO 0.01 -0.32 0.02 0.21 -0.10 0.00 0.00 175.22 175.04 3hk4 s LYS 83 N 0.71 0.72 -0.03 0.44 2.20 -0.96 -0.81 119.74 122.01 3hk4 s LYS 83 Ca -0.05 -0.39 -0.14 0.00 -0.36 0.00 0.00 55.97 55.03 3hk4 s LYS 83 Cb -0.15 -2.00 0.02 0.00 -1.51 0.00 0.00 37.83 34.20 3hk4 s LYS 83 CO 0.02 -0.59 0.31 -0.59 -0.36 0.00 0.00 175.35 174.14 3hk4 s PHE 84 N 1.84 -0.21 0.15 4.03 -0.71 -1.26 -0.37 117.98 121.44 3hk4 s PHE 84 Ca -0.00 0.38 -0.17 0.00 -1.04 0.00 0.00 56.93 56.09 3hk4 s PHE 84 Cb -0.16 0.10 -0.07 0.00 -1.21 0.00 0.00 43.02 41.67 3hk4 s PHE 84 CO -0.08 -0.35 0.60 -0.51 -1.34 0.00 0.00 175.22 173.54 3hk4 s ASP 85 N -1.06 6.95 -0.03 1.98 1.11 -1.26 -4.40 116.67 119.96 3hk4 s ASP 85 Ca -0.11 1.22 -0.16 0.00 0.18 0.00 0.00 52.55 53.67 3hk4 s ASP 85 Cb -0.05 -2.34 0.03 0.00 1.07 0.00 0.00 42.92 41.63 3hk4 s ASP 85 CO 0.04 0.13 0.35 0.54 1.18 0.00 0.00 175.17 177.41 3hk4 s VAL 86 N -1.38 0.05 -0.31 -1.27 0.11 0.16 -0.80 120.40 116.95 3hk4 s VAL 86 Ca 0.37 -0.37 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 3hk4 s VAL 86 Cb -0.17 -0.64 0.07 0.00 -1.53 0.00 0.00 36.38 34.12 3hk4 s VAL 86 CO 0.20 -0.20 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.86 3hk4 s THR 87 N -1.13 2.51 0.18 5.04 2.01 0.37 -0.68 115.64 123.93 3hk4 s THR 87 Ca -0.12 -1.81 -0.30 0.00 0.31 0.00 0.00 61.69 59.77 3hk4 s THR 87 Cb -0.04 -2.59 -0.09 0.00 0.01 0.00 0.00 72.50 69.79 3hk4 s THR 87 CO 0.04 -0.26 1.36 -2.84 -0.69 0.00 0.00 174.62 172.23 3hk4 s PRO 88 N 1.09 4.34 0.49 4.92 0.02 -1.26 -1.40 135.00 143.20 3hk4 s PRO 88 Ca -0.01 2.11 0.20 0.00 0.02 0.00 0.00 61.00 63.32 3hk4 s PRO 88 Cb -0.20 -3.19 1.25 0.00 0.02 0.00 0.00 34.50 32.37 3hk4 s PRO 88 CO -0.05 -0.35 2.01 0.87 -0.33 0.00 0.00 177.00 179.15 3hk4 h LYS 89 N 5.79 0.15 -0.87 5.54 1.57 -1.10 0.28 116.57 127.92 3hk4 h LYS 89 Ca -0.44 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 3hk4 h LYS 89 Cb 1.21 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 3hk4 h LYS 89 CO 0.81 0.10 0.51 0.00 -0.57 0.00 0.00 179.45 180.29 3hk4 h ALA 90 N 1.75 1.11 0.00 3.86 0.00 -1.92 -3.31 119.26 120.76 3hk4 h ALA 90 Ca 0.23 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 3hk4 h ALA 90 Cb 0.72 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hk4 h ALA 90 CO -0.03 0.59 -1.85 0.25 0.00 0.00 0.00 179.25 178.21 3hk4 n THR 91 N -4.39 0.55 -1.25 0.00 -2.24 -1.05 -4.99 114.28 100.90 3hk4 n THR 91 Ca 0.09 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.29 3hk4 n THR 91 Cb 0.07 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 67.97 3hk4 n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hk4 n GLY 92 N 1.92 0.93 3.27 3.38 0.00 0.97 -4.96 105.19 110.69 3hk4 n GLY 92 Ca -0.14 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 3hk4 n GLY 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hk4 s GLU 93 N -2.55 3.23 0.08 1.61 1.03 -1.26 -4.98 118.70 115.87 3hk4 s GLU 93 Ca 0.00 -0.74 -0.31 0.00 0.03 0.00 0.00 54.97 53.96 3hk4 s GLU 93 Cb 0.00 -2.66 -0.06 0.00 -0.80 0.00 0.00 34.13 30.61 3hk4 s GLU 93 CO 0.00 -0.00 1.20 0.50 -1.33 0.00 0.00 175.26 175.63 3hk4 s ARG 94 N 0.87 4.44 0.16 -4.83 3.52 -1.26 -4.15 118.95 117.71 3hk4 s ARG 94 Ca -0.04 1.79 0.03 0.00 -0.13 0.00 0.00 55.73 57.38 3hk4 s ARG 94 Cb -0.15 -3.33 -0.05 0.00 -1.56 0.00 0.00 34.95 29.87 3hk4 s ARG 94 CO -0.01 -0.23 -0.04 0.14 -0.81 0.00 0.00 175.30 174.36 3hk4 s VAL 95 N 0.87 0.88 0.03 7.11 -7.23 0.14 -4.95 120.40 117.25 3hk4 s VAL 95 Ca 0.58 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 3hk4 s VAL 95 Cb -0.30 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.63 3hk4 s VAL 95 CO 0.30 -0.59 0.03 0.41 -0.31 0.00 0.00 175.10 174.95 3hk4 n THR 96 N -0.23 0.00 0.00 5.32 -1.04 -1.26 -0.67 114.28 116.40 3hk4 n THR 96 Ca -0.08 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 3hk4 n THR 96 Cb 0.62 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 3hk4 n THR 96 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3hk4 n ASP 98 N -2.63 0.00 -4.05 8.00 -0.08 -1.26 -4.96 116.55 111.57 3hk4 n ASP 98 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.21 3hk4 n ASP 98 Cb 0.03 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.40 3hk4 n ASP 98 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 3hk4 s GLU 99 N 0.00 0.71 -0.09 -0.67 -1.05 0.01 -4.73 118.70 112.88 3hk4 s GLU 99 Ca 0.00 -1.19 0.03 0.00 -0.15 0.00 0.00 54.97 53.66 3hk4 s GLU 99 Cb 0.00 0.25 -0.01 0.00 -0.44 0.00 0.00 34.13 33.92 3hk4 s GLU 99 CO 0.00 -0.17 -0.18 0.08 0.95 0.00 0.00 175.26 175.95 3hk4 s VAL 100 N -3.92 2.68 -0.12 1.83 1.01 -0.54 -0.25 120.40 121.09 3hk4 s VAL 100 Ca 0.09 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3hk4 s VAL 100 Cb 0.07 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3hk4 s VAL 100 CO -0.09 0.55 -0.05 -0.83 0.00 0.00 0.00 175.10 174.69 3hk4 s GLY 101 N 0.03 1.72 -0.15 4.51 0.00 -0.19 -0.10 107.32 113.15 3hk4 s GLY 101 Ca -0.06 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.82 3hk4 s GLY 101 CO 0.05 -0.34 -0.17 -2.27 0.00 0.00 0.00 173.10 170.37 3hk4 s LEU 102 N -0.20 2.40 -0.15 0.66 2.96 0.98 -1.39 118.68 123.93 3hk4 s LEU 102 Ca 0.03 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 3hk4 s LEU 102 Cb -0.13 -1.54 -0.00 0.00 0.50 0.00 0.00 46.19 45.02 3hk4 s LEU 102 CO 0.02 0.09 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.68 3hk4 s TYR 103 N 0.79 2.78 -0.17 5.38 1.51 0.11 -1.02 117.35 126.73 3hk4 s TYR 103 Ca -0.06 -1.02 -0.08 0.00 -1.01 0.00 0.00 57.07 54.90 3hk4 s TYR 103 Cb -0.15 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 3hk4 s TYR 103 CO 0.00 -0.46 0.10 0.99 -1.11 0.00 0.00 175.55 175.07 3hk4 s THR 104 N 0.78 5.12 -0.11 -0.71 2.01 -0.44 -1.67 115.64 120.61 3hk4 s THR 104 Ca -0.06 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.03 3hk4 s THR 104 Cb -0.15 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 3hk4 s THR 104 CO 0.00 0.49 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.59 3hk4 s VAL 105 N 0.00 2.87 -0.04 3.82 1.01 0.03 -0.47 120.40 127.63 3hk4 s VAL 105 Ca 0.08 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3hk4 s VAL 105 Cb -0.12 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.12 3hk4 s VAL 105 CO 0.00 0.54 0.04 -0.75 0.00 0.00 0.00 175.10 174.94 3hk4 s LYS 106 N 0.11 0.07 -1.47 2.72 2.20 -0.33 -4.85 119.74 118.20 3hk4 s LYS 106 Ca -0.07 0.29 -0.12 0.00 -0.36 0.00 0.00 55.97 55.71 3hk4 s LYS 106 Cb -0.15 -0.56 0.06 0.00 -1.51 0.00 0.00 37.83 35.66 3hk4 s LYS 106 CO 0.05 -0.30 1.06 0.09 -0.36 0.00 0.00 175.35 175.90 3hk4 n ASN 107 N 5.08 -5.37 0.00 1.43 3.02 -1.26 -2.11 115.26 116.04 3hk4 n ASN 107 Ca -0.08 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3hk4 n ASN 107 Cb 0.50 -4.32 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 3hk4 n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hk4 n GLY 108 N -1.81 0.76 3.20 7.41 0.00 -1.26 -5.02 105.19 108.47 3hk4 n GLY 108 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 3hk4 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hk4 s LYS 109 N -0.12 0.91 -0.35 1.61 -0.14 -0.90 -4.92 119.74 115.83 3hk4 s LYS 109 Ca 0.00 -1.11 -0.26 0.00 -1.36 0.00 0.00 55.97 53.25 3hk4 s LYS 109 Cb 0.00 -0.81 0.01 0.00 -1.68 0.00 0.00 37.83 35.35 3hk4 s LYS 109 CO 0.00 0.16 0.91 0.42 -0.76 0.00 0.00 175.35 176.09 3hk4 s ILE 110 N -1.82 4.62 -0.17 2.17 1.01 0.12 -1.18 121.20 125.94 3hk4 s ILE 110 Ca 0.04 1.23 0.22 0.00 0.00 0.00 0.00 60.65 62.14 3hk4 s ILE 110 Cb -0.07 -4.31 -0.11 0.00 0.01 0.00 0.00 42.46 37.98 3hk4 s ILE 110 CO 0.02 -0.48 0.85 0.35 0.00 0.00 0.00 174.94 175.68 3hk4 n THR 111 N 5.88 0.49 -3.73 2.92 -2.24 0.39 -0.61 114.28 117.38 3hk4 n THR 111 Ca 0.07 -0.55 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 3hk4 n THR 111 Cb 0.48 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.34 3hk4 n THR 111 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3hk4 s GLU 112 N -3.37 0.49 -0.04 -0.78 2.12 -1.22 -1.67 118.70 114.24 3hk4 s GLU 112 Ca -0.03 0.59 0.04 0.00 0.36 0.00 0.00 54.97 55.93 3hk4 s GLU 112 Cb 0.11 0.23 -0.00 0.00 0.26 0.00 0.00 34.13 34.73 3hk4 s GLU 112 CO 0.83 -0.06 -0.17 -1.83 -0.54 0.00 0.00 175.26 173.49 3hk4 s GLU 113 N 0.25 1.65 -0.04 4.30 -1.05 -0.44 -1.33 118.70 122.04 3hk4 s GLU 113 Ca -0.00 -0.59 -0.00 0.00 -0.15 0.00 0.00 54.97 54.23 3hk4 s GLU 113 Cb -0.03 -1.47 0.03 0.00 -0.44 0.00 0.00 34.13 32.22 3hk4 s GLU 113 CO 0.00 0.26 0.01 0.50 0.95 0.00 0.00 175.26 176.98 3hk4 s ARG 114 N -0.04 0.30 -0.05 -4.83 3.52 -0.19 -1.24 118.95 116.42 3hk4 s ARG 114 Ca -0.02 0.11 -0.00 0.00 -0.13 0.00 0.00 55.73 55.69 3hk4 s ARG 114 Cb -0.10 -0.55 -0.03 0.00 -1.56 0.00 0.00 34.95 32.71 3hk4 s ARG 114 CO 0.01 -0.18 -0.00 -0.06 -0.81 0.00 0.00 175.30 174.26 3hk4 s PHE 115 N 1.26 3.11 -0.09 5.12 0.08 -0.11 -0.01 117.98 127.33 3hk4 s PHE 115 Ca -0.06 0.14 0.03 0.00 0.12 0.00 0.00 56.93 57.15 3hk4 s PHE 115 Cb -0.13 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 3hk4 s PHE 115 CO -0.02 0.45 -0.17 0.71 -0.10 0.00 0.00 175.22 176.09 3hk4 s TYR 116 N -0.95 2.00 0.00 0.36 1.51 0.86 -2.90 117.35 118.23 3hk4 s TYR 116 Ca 0.16 -0.85 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 3hk4 s TYR 116 Cb -0.11 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 3hk4 s TYR 116 CO 0.05 -0.40 0.28 0.98 -1.11 0.00 0.00 175.55 175.35