#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm4 h GLU 7 N 0.00 0.81 0.00 0.38 4.57 -2.03 -2.09 114.58 116.21 3hm4 h GLU 7 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3hm4 h GLU 7 Cb 0.00 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 3hm4 h GLU 7 CO 0.00 0.53 0.00 0.97 -1.18 0.00 0.00 179.01 179.33 3hm4 h ILE 8 N 0.83 0.00 0.00 2.32 6.09 -2.06 -2.13 117.51 122.56 3hm4 h ILE 8 Ca 0.33 -0.34 -0.06 0.00 -1.37 0.00 0.00 64.86 63.41 3hm4 h ILE 8 Cb 0.17 1.33 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 3hm4 h ILE 8 CO -0.17 0.00 -0.31 0.00 -3.07 0.00 0.00 178.15 174.60 3hm4 h ALA 9 N 2.01 1.09 -0.76 0.18 0.00 -1.84 -3.37 119.26 116.57 3hm4 h ALA 9 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.70 3hm4 h ALA 9 Cb 0.35 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3hm4 h ALA 9 CO 0.00 0.38 0.44 0.87 0.00 0.00 0.00 179.25 180.94 3hm4 h LYS 10 N 0.00 0.76 -0.42 0.00 1.57 -1.48 -1.58 116.57 115.42 3hm4 h LYS 10 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3hm4 h LYS 10 Cb 0.75 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3hm4 h LYS 10 CO 0.04 0.50 0.23 -1.35 -0.57 0.00 0.00 179.45 178.30 3hm4 h PRO 11 N 0.78 0.57 -0.13 3.15 0.11 -1.79 -0.34 132.00 134.36 3hm4 h PRO 11 Ca 0.34 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.20 3hm4 h PRO 11 Cb 0.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3hm4 h PRO 11 CO -0.20 0.42 -0.74 0.74 -0.21 0.00 0.00 178.00 178.02 3hm4 h PHE 12 N 0.58 0.81 -0.20 0.65 0.04 -1.56 -1.68 116.94 115.59 3hm4 h PHE 12 Ca 0.15 -0.35 -0.03 0.00 2.80 0.00 0.00 57.97 60.53 3hm4 h PHE 12 Cb 0.02 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 3hm4 h PHE 12 CO 0.00 1.15 -0.01 0.28 -0.60 0.00 0.00 178.31 179.13 3hm4 h VAL 13 N 0.42 1.26 -0.38 -0.55 2.07 -0.88 -1.27 116.25 116.92 3hm4 h VAL 13 Ca -0.04 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.62 3hm4 h VAL 13 Cb 1.34 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 3hm4 h VAL 13 CO 0.14 0.27 0.17 0.74 0.02 0.00 0.00 177.57 178.91 3hm4 h THR 14 N 0.11 0.94 -0.44 2.57 2.02 -1.07 -0.70 112.91 116.33 3hm4 h THR 14 Ca 0.06 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 3hm4 h THR 14 Cb 0.41 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3hm4 h THR 14 CO 0.01 0.06 0.09 0.00 0.37 0.00 0.00 175.52 176.06 3hm4 h ALA 15 N 1.22 0.58 0.02 6.16 0.00 -1.25 -1.22 119.26 124.76 3hm4 h ALA 15 Ca 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hm4 h ALA 15 Cb 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hm4 h ALA 15 CO -0.14 0.28 -0.01 1.15 0.00 0.00 0.00 179.25 180.53 3hm4 h THR 16 N 0.58 1.07 -0.74 0.00 2.02 -0.98 -0.36 112.91 114.50 3hm4 h THR 16 Ca 0.14 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 3hm4 h THR 16 Cb 0.34 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 3hm4 h THR 16 CO 0.00 0.07 0.29 0.71 0.37 0.00 0.00 175.52 176.96 3hm4 h THR 17 N -0.14 1.25 -0.20 3.16 1.35 -1.11 -1.94 112.91 115.29 3hm4 h THR 17 Ca -0.00 -0.80 -0.04 0.00 -0.55 0.00 0.00 66.41 65.01 3hm4 h THR 17 Cb 0.13 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 66.94 3hm4 h THR 17 CO 0.00 0.32 -0.04 -1.13 -0.25 0.00 0.00 175.52 174.43 3hm4 h ASN 18 N 1.07 0.37 -0.38 5.36 -1.24 -1.06 -2.25 115.58 117.45 3hm4 h ASN 18 Ca 0.25 -0.36 -0.03 0.00 0.71 0.00 0.00 56.30 56.87 3hm4 h ASN 18 Cb 0.22 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 3hm4 h ASN 18 CO -0.02 0.65 0.13 0.58 -1.29 0.00 0.00 177.43 177.48 3hm4 h VAL 19 N 0.10 1.20 -0.72 2.57 2.07 -1.00 -0.63 116.25 119.84 3hm4 h VAL 19 Ca 0.05 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 3hm4 h VAL 19 Cb 0.48 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3hm4 h VAL 19 CO 0.02 0.23 0.27 -0.07 0.02 0.00 0.00 177.57 178.04 3hm4 h LEU 20 N 0.46 1.01 -0.12 2.57 -0.00 -1.37 -3.10 115.31 114.77 3hm4 h LEU 20 Ca 0.12 -0.18 -0.04 0.00 -0.00 0.00 0.00 57.88 57.78 3hm4 h LEU 20 Cb 0.23 -0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 40.62 3hm4 h LEU 20 CO -0.01 0.92 -0.08 -1.28 -0.00 0.00 0.00 178.44 178.00 3hm4 h SER 21 N 1.04 0.28 0.00 -0.43 0.87 -0.79 -1.14 113.55 113.39 3hm4 h SER 21 Ca 0.24 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 3hm4 h SER 21 Cb 0.24 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3hm4 h SER 21 CO -0.02 0.66 0.00 0.35 -0.53 0.00 0.00 176.83 177.29 3hm4 n THR 22 N -4.66 0.00 0.00 2.23 -2.24 -0.25 -3.17 114.28 106.19 3hm4 n THR 22 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3hm4 n THR 22 Cb 0.30 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 3hm4 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hm4 n ALA 24 N -0.45 0.00 -1.94 6.98 0.00 -0.49 -5.09 120.51 119.53 3hm4 n ALA 24 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 3hm4 n ALA 24 Cb 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 3hm4 n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hm4 n GLY 25 N -0.09 0.57 3.28 0.00 0.00 -0.87 -4.77 105.19 103.32 3hm4 n GLY 25 Ca 0.00 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 3hm4 n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hm4 s ILE 26 N -2.73 2.05 -0.57 -0.61 1.01 -0.88 -4.97 121.20 114.49 3hm4 s ILE 26 Ca 0.00 -1.08 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 3hm4 s ILE 26 Cb 0.00 -1.72 0.15 0.00 0.01 0.00 0.00 42.46 40.90 3hm4 s ILE 26 CO 0.00 0.57 0.43 -1.10 0.00 0.00 0.00 174.94 174.84 3hm4 s GLN 27 N -0.33 2.63 0.23 2.79 -0.21 -1.26 -2.03 119.66 121.48 3hm4 s GLN 27 Ca 0.02 -2.15 -0.30 0.00 0.02 0.00 0.00 55.36 52.94 3hm4 s GLN 27 Cb -0.12 -3.90 -0.09 0.00 1.00 0.00 0.00 33.01 29.90 3hm4 s GLN 27 CO 0.02 -1.19 1.02 -2.14 -2.12 0.00 0.00 175.29 170.88 3hm4 s PRO 28 N 0.64 4.74 -0.42 2.91 0.02 -1.26 -4.75 135.00 136.88 3hm4 s PRO 28 Ca 0.12 1.62 -0.15 0.00 0.02 0.00 0.00 61.00 62.61 3hm4 s PRO 28 Cb -0.21 -3.26 0.04 0.00 0.02 0.00 0.00 34.50 31.09 3hm4 s PRO 28 CO -0.03 0.33 0.31 0.42 -0.33 0.00 0.00 177.00 177.70 3hm4 s ILE 29 N -0.93 5.15 0.27 2.83 1.01 0.49 -4.93 121.20 125.08 3hm4 s ILE 29 Ca 0.44 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.98 3hm4 s ILE 29 Cb -0.28 -3.93 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 3hm4 s ILE 29 CO 0.35 -0.38 1.12 -2.16 0.00 0.00 0.00 174.94 173.87 3hm4 s PRO 30 N 1.65 4.61 0.19 2.79 0.04 -1.26 -1.73 135.00 141.29 3hm4 s PRO 30 Ca 0.04 1.83 0.01 0.00 0.04 0.00 0.00 61.00 62.93 3hm4 s PRO 30 Cb -0.21 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.18 3hm4 s PRO 30 CO 0.09 0.16 0.26 0.41 0.04 0.00 0.00 177.00 177.96 3hm4 n GLY 31 N 1.28 1.34 3.71 0.56 0.00 0.19 -4.97 105.19 107.31 3hm4 n GLY 31 Ca -0.01 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 3hm4 n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hm4 s GLN 32 N -2.96 4.49 0.56 1.61 -1.52 -1.26 -4.64 119.66 115.94 3hm4 s GLN 32 Ca 0.18 1.62 -0.21 0.00 -1.95 0.00 0.00 55.36 55.00 3hm4 s GLN 32 Cb -0.01 -3.39 -0.04 0.00 -0.22 0.00 0.00 33.01 29.34 3hm4 s GLN 32 CO 0.12 -0.16 1.30 -2.14 -0.25 0.00 0.00 175.29 174.16 3hm4 s PRO 33 N 1.02 3.10 0.05 2.91 0.02 -1.26 -4.53 135.00 136.31 3hm4 s PRO 33 Ca 0.56 2.08 -0.03 0.00 0.02 0.00 0.00 61.00 63.63 3hm4 s PRO 33 Cb -0.26 -2.16 -0.03 0.00 0.02 0.00 0.00 34.50 32.08 3hm4 s PRO 33 CO 0.29 -1.17 0.02 1.52 -0.33 0.00 0.00 177.00 177.32 3hm4 s TYR 34 N -1.39 0.41 -0.07 6.54 1.13 -0.08 -4.82 117.35 119.06 3hm4 s TYR 34 Ca 0.73 -0.90 -0.27 0.00 -1.41 0.00 0.00 57.07 55.22 3hm4 s TYR 34 Cb -0.37 -0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 40.17 3hm4 s TYR 34 CO 0.42 -0.40 0.86 0.08 -2.51 0.00 0.00 175.55 174.01 3hm4 s VAL 35 N -3.65 4.92 0.31 -3.49 1.01 -1.26 -0.66 120.40 117.58 3hm4 s VAL 35 Ca 0.04 1.76 -0.29 0.00 0.00 0.00 0.00 61.98 63.49 3hm4 s VAL 35 Cb 0.06 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 3hm4 s VAL 35 CO -0.09 0.14 1.42 -0.54 0.00 0.00 0.00 175.10 176.04 3hm4 s LYS 36 N 1.30 4.25 -0.02 2.72 1.02 0.26 -4.92 119.74 124.34 3hm4 s LYS 36 Ca 0.44 2.36 0.18 0.00 0.02 0.00 0.00 55.97 58.97 3hm4 s LYS 36 Cb -0.19 -3.06 -0.25 0.00 -0.52 0.00 0.00 37.83 33.81 3hm4 s LYS 36 CO 0.20 -0.39 0.53 1.63 -0.92 0.00 0.00 175.35 176.40 3hm4 n LYS 37 N 1.43 0.76 -3.32 1.68 4.01 -1.26 -4.78 118.16 116.68 3hm4 n LYS 37 Ca 0.04 -0.11 -0.21 0.00 -0.51 0.00 0.00 58.31 57.51 3hm4 n LYS 37 Cb 0.40 -1.40 -0.00 0.00 -0.51 0.00 0.00 35.03 33.52 3hm4 n LYS 37 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3hm4 s ASN 38 N -3.60 6.00 0.00 4.39 0.01 -1.26 -5.04 114.94 115.44 3hm4 s ASN 38 Ca -0.02 0.13 0.25 0.00 -0.71 0.00 0.00 52.86 52.51 3hm4 s ASN 38 Cb 0.12 -1.54 0.65 0.00 0.41 0.00 0.00 41.25 40.89 3hm4 s ASN 38 CO 0.75 -0.48 1.52 -0.46 -1.51 0.00 0.00 177.10 176.92 3hm4 n ASN 39 N -1.81 2.25 -3.94 -1.22 0.23 -1.26 -4.95 115.26 104.56 3hm4 n ASN 39 Ca -0.01 -1.76 -0.08 0.00 -0.53 0.00 0.00 54.58 52.20 3hm4 n ASN 39 Cb 0.57 -0.05 -0.09 0.00 -2.08 0.00 0.00 39.78 38.14 3hm4 n ASN 39 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 3hm4 s VAL 40 N -1.90 0.16 -0.12 3.53 -7.23 -1.26 -4.54 120.40 109.04 3hm4 s VAL 40 Ca 0.34 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 59.20 3hm4 s VAL 40 Cb 0.20 -1.26 -0.01 0.00 0.56 0.00 0.00 36.38 35.87 3hm4 s VAL 40 CO 0.31 -0.73 -0.16 0.00 -0.31 0.00 0.00 175.10 174.21 3hm4 s ALA 41 N -3.50 2.51 -0.10 1.32 0.00 -0.08 -4.96 121.76 116.95 3hm4 s ALA 41 Ca 0.03 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 3hm4 s ALA 41 Cb 0.04 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 3hm4 s ALA 41 CO -0.09 0.26 -0.01 0.21 0.00 0.00 0.00 175.76 176.13 3hm4 s LYS 42 N 0.34 3.15 0.00 0.00 2.20 -1.26 -1.11 119.74 123.06 3hm4 s LYS 42 Ca -0.13 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.04 3hm4 s LYS 42 Cb -0.16 -2.82 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 3hm4 s LYS 42 CO 0.06 0.58 0.00 0.41 -0.36 0.00 0.00 175.35 176.05 3hm4 n GLY 43 N 2.51 1.18 0.05 5.54 0.00 -0.44 -4.93 105.19 109.10 3hm4 n GLY 43 Ca -0.18 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 3hm4 n GLY 43 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hm4 n ASP 44 N -0.20 2.62 -3.75 1.61 8.00 -0.25 -1.24 116.55 123.34 3hm4 n ASP 44 Ca 0.00 -0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.31 3hm4 n ASP 44 Cb 0.00 0.68 -0.17 0.00 -0.02 0.00 0.00 41.12 41.61 3hm4 n ASP 44 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hm4 s VAL 45 N -2.24 0.04 0.25 2.53 1.01 -0.99 -2.62 120.40 118.38 3hm4 s VAL 45 Ca -0.06 0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.25 3hm4 s VAL 45 Cb 0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 3hm4 s VAL 45 CO 0.39 0.16 -0.11 -0.44 0.00 0.00 0.00 175.10 175.10 3hm4 s SER 46 N 1.57 2.83 0.03 3.32 0.01 -0.26 -0.27 113.70 120.94 3hm4 s SER 46 Ca -0.02 -1.11 -0.01 0.00 1.31 0.00 0.00 55.95 56.12 3hm4 s SER 46 Cb -0.13 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 3hm4 s SER 46 CO -0.03 -0.23 -0.01 0.00 0.41 0.00 0.00 173.24 173.38 3hm4 s ALA 47 N -2.92 0.16 -0.08 1.44 0.00 0.07 -0.27 121.76 120.16 3hm4 s ALA 47 Ca 0.27 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 3hm4 s ALA 47 Cb 0.01 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.33 3hm4 s ALA 47 CO 0.11 -0.22 0.22 0.54 0.00 0.00 0.00 175.76 176.41 3hm4 s VAL 48 N -2.06 0.01 -0.10 0.00 0.11 -0.46 -0.73 120.40 117.16 3hm4 s VAL 48 Ca -0.10 -0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 58.82 3hm4 s VAL 48 Cb -0.05 -0.35 0.05 0.00 -1.53 0.00 0.00 36.38 34.50 3hm4 s VAL 48 CO -0.03 -0.04 0.22 0.54 -3.33 0.00 0.00 175.10 172.46 3hm4 s VAL 49 N -0.07 -0.11 0.49 2.04 0.11 0.10 -1.08 120.40 121.88 3hm4 s VAL 49 Ca -0.02 0.19 -0.19 0.00 -2.93 0.00 0.00 61.98 59.03 3hm4 s VAL 49 Cb -0.02 -0.35 -0.08 0.00 -1.53 0.00 0.00 36.38 34.39 3hm4 s VAL 49 CO 0.01 0.08 1.00 -0.83 -3.33 0.00 0.00 175.10 172.02 3hm4 s GLY 50 N 1.46 2.28 0.05 6.54 0.00 -1.26 -1.06 107.32 115.34 3hm4 s GLY 50 Ca -0.07 0.38 0.04 0.00 0.00 0.00 0.00 44.72 45.07 3hm4 s GLY 50 CO -0.08 0.68 -0.11 -0.26 0.00 0.00 0.00 173.10 173.33 3hm4 s ILE 51 N -2.31 0.84 0.26 0.90 -4.36 -0.46 -0.99 121.20 115.08 3hm4 s ILE 51 Ca 0.63 -1.15 0.03 0.00 -0.26 0.00 0.00 60.65 59.89 3hm4 s ILE 51 Cb -0.12 -0.84 -0.04 0.00 1.25 0.00 0.00 42.46 42.72 3hm4 s ILE 51 CO 0.24 -0.27 0.19 0.42 0.24 0.00 0.00 174.94 175.76 3hm4 s THR 52 N -1.25 0.01 0.00 8.37 -4.23 -0.56 -0.89 115.64 117.08 3hm4 s THR 52 Ca -0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 3hm4 s THR 52 Cb -0.10 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.24 3hm4 s THR 52 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 3hm4 n GLY 53 N -0.42 1.29 0.27 3.99 0.00 -1.26 -0.44 105.19 108.61 3hm4 n GLY 53 Ca 0.04 -0.97 0.02 0.00 0.00 0.00 0.00 46.02 45.11 3hm4 n GLY 53 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3hm4 h HIS 54 N 0.00 0.59 -4.34 1.61 -0.00 -1.39 -3.42 115.15 108.21 3hm4 h HIS 54 Ca 0.00 0.03 -0.17 0.00 -0.00 0.00 0.00 60.37 60.23 3hm4 h HIS 54 Cb 0.00 -0.16 -0.15 0.00 -0.00 0.00 0.00 27.41 27.11 3hm4 h HIS 54 CO 0.00 0.18 -0.61 0.15 -0.00 0.00 0.00 177.93 177.65 3hm4 s LYS 55 N -6.05 0.91 -0.01 5.26 1.02 -1.26 -5.06 119.74 114.55 3hm4 s LYS 55 Ca -0.13 -1.38 -0.08 0.00 0.02 0.00 0.00 55.97 54.41 3hm4 s LYS 55 Cb 0.19 0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 37.70 3hm4 s LYS 55 CO 0.76 -0.26 0.27 -0.80 -0.92 0.00 0.00 175.35 174.40 3hm4 s ASN 56 N -3.02 6.53 0.00 2.83 0.01 -0.43 -3.94 114.94 116.92 3hm4 s ASN 56 Ca 0.21 0.61 0.00 0.00 -0.71 0.00 0.00 52.86 52.97 3hm4 s ASN 56 Cb 0.07 -2.11 0.00 0.00 0.41 0.00 0.00 41.25 39.62 3hm4 s ASN 56 CO 0.00 0.29 0.00 0.61 -1.51 0.00 0.00 177.10 176.49 3hm4 n GLY 57 N 1.36 0.96 3.49 0.66 0.00 -0.07 -0.18 105.19 111.41 3hm4 n GLY 57 Ca -0.13 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 3hm4 n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hm4 s SER 58 N 2.00 -0.61 -0.10 1.61 0.15 -0.92 -1.35 113.70 114.48 3hm4 s SER 58 Ca 0.00 0.47 0.03 0.00 0.70 0.00 0.00 55.95 57.15 3hm4 s SER 58 Cb 0.00 0.54 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 3hm4 s SER 58 CO 0.00 -0.70 -0.18 -0.63 1.20 0.00 0.00 173.24 172.92 3hm4 s ILE 59 N -1.99 1.67 0.18 6.45 1.01 -0.22 -1.98 121.20 126.32 3hm4 s ILE 59 Ca -0.07 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 59.89 3hm4 s ILE 59 Cb -0.00 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 3hm4 s ILE 59 CO 0.02 0.47 -0.14 -0.94 0.00 0.00 0.00 174.94 174.36 3hm4 s SER 60 N 0.71 2.36 -0.04 3.58 1.04 0.43 -0.72 113.70 121.06 3hm4 s SER 60 Ca -0.12 -1.00 0.01 0.00 0.48 0.00 0.00 55.95 55.32 3hm4 s SER 60 Cb -0.16 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 65.88 3hm4 s SER 60 CO 0.02 -0.20 -0.03 -0.69 0.98 0.00 0.00 173.24 173.32 3hm4 s VAL 61 N -2.97 0.42 -0.15 5.02 1.01 0.09 -0.78 120.40 123.04 3hm4 s VAL 61 Ca 0.20 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.12 3hm4 s VAL 61 Cb -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.93 3hm4 s VAL 61 CO 0.05 0.19 -0.17 -0.89 0.00 0.00 0.00 175.10 174.29 3hm4 s THR 62 N 0.87 1.73 0.06 3.92 2.01 -0.04 -0.75 115.64 123.44 3hm4 s THR 62 Ca -0.11 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.20 3hm4 s THR 62 Cb -0.14 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 3hm4 s THR 62 CO -0.00 0.49 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.99 3hm4 s PHE 63 N 1.30 2.85 0.71 4.92 0.08 0.63 -1.51 117.98 126.96 3hm4 s PHE 63 Ca 0.02 -0.08 -0.13 0.00 0.12 0.00 0.00 56.93 56.86 3hm4 s PHE 63 Cb -0.13 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 40.81 3hm4 s PHE 63 CO -0.09 0.41 1.11 0.95 -0.10 0.00 0.00 175.22 177.50 3hm4 s THR 64 N -1.13 3.21 0.30 0.64 -4.23 -1.14 -1.09 115.64 112.18 3hm4 s THR 64 Ca 0.20 0.49 -0.00 0.00 -1.18 0.00 0.00 61.69 61.20 3hm4 s THR 64 Cb -0.11 -2.99 0.18 0.00 1.34 0.00 0.00 72.50 70.93 3hm4 s THR 64 CO 0.12 -0.42 1.88 0.07 -0.54 0.00 0.00 174.62 175.73 3hm4 h LYS 65 N -0.47 0.84 -0.54 3.99 2.10 -1.92 -1.66 116.57 118.91 3hm4 h LYS 65 Ca -0.45 -0.14 0.06 0.00 -2.00 0.00 0.00 60.65 58.12 3hm4 h LYS 65 Cb 1.24 -0.14 -0.05 0.00 -0.90 0.00 0.00 32.23 32.38 3hm4 h LYS 65 CO 0.52 0.70 0.25 0.37 -2.00 0.00 0.00 179.45 179.29 3hm4 h GLN 66 N 0.82 0.46 -0.24 0.07 4.15 -1.93 0.18 115.11 118.62 3hm4 h GLN 66 Ca 0.19 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.46 3hm4 h GLN 66 Cb 0.19 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 3hm4 h GLN 66 CO -0.02 0.30 -0.36 0.00 -1.93 0.00 0.00 178.83 176.83 3hm4 h ALA 68 N 0.65 0.96 -0.81 0.00 0.00 -1.07 -1.19 119.26 117.80 3hm4 h ALA 68 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hm4 h ALA 68 Cb 0.95 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3hm4 h ALA 68 CO 0.08 0.38 0.46 0.82 0.00 0.00 0.00 179.25 180.99 3hm4 h ILE 69 N 1.03 1.24 -0.64 0.00 2.04 -0.90 -1.13 117.51 119.15 3hm4 h ILE 69 Ca 0.28 -0.58 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 3hm4 h ILE 69 Cb -0.12 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 3hm4 h ILE 69 CO -0.06 0.26 0.07 0.00 0.00 0.00 0.00 178.15 178.42 3hm4 h ALA 70 N 1.24 0.91 -0.36 1.87 0.00 -0.95 0.51 119.26 122.49 3hm4 h ALA 70 Ca 0.29 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hm4 h ALA 70 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hm4 h ALA 70 CO -0.05 0.66 0.10 0.28 0.00 0.00 0.00 179.25 180.25 3hm4 h VAL 71 N 1.00 1.22 -0.38 0.00 2.07 -0.89 -1.71 116.25 117.55 3hm4 h VAL 71 Ca 0.19 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 3hm4 h VAL 71 Cb 0.47 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3hm4 h VAL 71 CO 0.02 0.25 0.00 0.58 0.02 0.00 0.00 177.57 178.44 3hm4 h VAL 72 N 0.43 1.26 -0.76 2.57 2.07 -0.92 -2.91 116.25 117.99 3hm4 h VAL 72 Ca 0.11 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.66 3hm4 h VAL 72 Cb 0.27 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3hm4 h VAL 72 CO -0.00 0.33 0.49 0.11 0.02 0.00 0.00 177.57 178.52 3hm4 h LYS 73 N 0.50 0.95 -0.55 1.57 1.57 -0.84 -1.01 116.57 118.75 3hm4 h LYS 73 Ca 0.11 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hm4 h LYS 73 Cb 0.46 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3hm4 h LYS 73 CO 0.02 0.63 0.00 0.00 -0.57 0.00 0.00 179.45 179.53 3hm4 n ALA 74 N -2.31 1.33 0.00 3.86 0.00 -0.65 -0.34 120.51 122.40 3hm4 n ALA 74 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3hm4 n ALA 74 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3hm4 n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hm4 n LEU 76 N 0.54 0.00 -3.10 0.00 7.99 -0.38 -4.65 117.00 117.40 3hm4 n LEU 76 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.78 3hm4 n LEU 76 Cb 0.05 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 43.41 3hm4 n LEU 76 CO 0.00 0.00 0.09 0.61 -1.51 0.00 0.00 177.39 176.58 3hm4 n GLY 77 N 0.00 -0.47 3.11 -0.72 0.00 -0.70 -1.83 105.19 104.58 3hm4 n GLY 77 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3hm4 n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hm4 n ASP 78 N -2.50 -4.37 -3.75 1.61 9.92 0.54 -4.90 116.55 113.10 3hm4 n ASP 78 Ca -0.07 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.81 3hm4 n ASP 78 Cb 0.59 -2.94 -0.01 0.00 -0.64 0.00 0.00 41.12 38.13 3hm4 n ASP 78 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3hm4 n ASP 79 N -0.68 6.04 -4.65 -2.24 5.75 -0.76 -4.99 116.55 115.02 3hm4 n ASP 79 Ca 0.00 -3.50 -0.43 0.00 -0.01 0.00 0.00 54.79 50.85 3hm4 n ASP 79 Cb 0.34 -1.09 -0.02 0.00 -1.03 0.00 0.00 41.12 39.32 3hm4 n ASP 79 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3hm4 s ILE 80 N -3.21 4.38 -0.05 2.12 1.01 -1.26 -4.88 121.20 119.31 3hm4 s ILE 80 Ca 0.36 1.63 0.16 0.00 0.00 0.00 0.00 60.65 62.80 3hm4 s ILE 80 Cb 0.11 -4.19 -0.24 0.00 0.01 0.00 0.00 42.46 38.15 3hm4 s ILE 80 CO 0.02 -0.30 0.30 0.00 0.00 0.00 0.00 174.94 174.96 3hm4 n GLN 81 N 6.77 0.71 -3.24 2.79 6.02 -1.26 -4.91 117.38 124.26 3hm4 n GLN 81 Ca 0.13 -0.12 -0.02 0.00 -0.01 0.00 0.00 57.00 56.98 3hm4 n GLN 81 Cb 0.46 -1.39 -0.04 0.00 1.02 0.00 0.00 30.24 30.29 3hm4 n GLN 81 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hm4 s ASP 82 N -4.11 -0.64 0.46 1.08 -1.08 -1.26 -5.06 116.67 106.06 3hm4 s ASP 82 Ca -0.06 0.37 0.12 0.00 -0.52 0.00 0.00 52.55 52.46 3hm4 s ASP 82 Cb 0.09 1.66 1.05 0.00 -1.46 0.00 0.00 42.92 44.26 3hm4 s ASP 82 CO 0.67 -0.29 2.07 -0.29 0.52 0.00 0.00 175.17 177.85 3hm4 h ILE 83 N 6.08 1.01 0.24 4.11 6.09 -1.97 0.11 117.51 133.19 3hm4 h ILE 83 Ca -0.16 -0.11 -0.01 0.00 -1.37 0.00 0.00 64.86 63.20 3hm4 h ILE 83 Cb 1.16 0.66 0.00 0.00 0.47 0.00 0.00 36.82 39.11 3hm4 h ILE 83 CO 0.25 0.06 -0.12 0.40 -3.07 0.00 0.00 178.15 175.67 3hm4 h ILE 84 N 0.33 0.60 -0.70 2.19 1.08 -1.99 -0.67 117.51 118.36 3hm4 h ILE 84 Ca 0.13 -0.92 0.02 0.00 -0.39 0.00 0.00 64.86 63.70 3hm4 h ILE 84 Cb 0.13 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 3hm4 h ILE 84 CO -0.03 0.15 0.45 -0.61 -0.69 0.00 0.00 178.15 177.42 3hm4 h GLN 85 N -0.92 0.87 -0.36 2.37 5.75 -1.95 -1.60 115.11 119.26 3hm4 h GLN 85 Ca -0.03 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.30 3hm4 h GLN 85 Cb 0.49 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 3hm4 h GLN 85 CO 0.06 0.57 -0.24 -0.44 -2.65 0.00 0.00 178.83 176.13 3hm4 h ASP 86 N 0.89 0.73 -0.21 -0.69 3.32 -0.81 -0.75 116.42 118.91 3hm4 h ASP 86 Ca 0.27 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3hm4 h ASP 86 Cb -0.04 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3hm4 h ASP 86 CO -0.08 0.94 0.00 0.74 -1.72 0.00 0.00 179.24 179.12 3hm4 h THR 87 N 0.63 1.25 -0.30 0.35 2.02 -0.88 -0.26 112.91 115.72 3hm4 h THR 87 Ca 0.09 -0.88 0.07 0.00 0.77 0.00 0.00 66.41 66.46 3hm4 h THR 87 Cb 0.73 1.42 -0.07 0.00 -1.74 0.00 0.00 68.15 68.48 3hm4 h THR 87 CO 0.06 0.27 -0.19 0.50 0.37 0.00 0.00 175.52 176.52 3hm4 h LYS 88 N 0.14 -0.16 -0.06 6.66 3.64 -1.07 -0.05 116.57 125.66 3hm4 h LYS 88 Ca 0.06 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3hm4 h LYS 88 Cb 0.40 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3hm4 h LYS 88 CO 0.01 -0.11 -0.01 -0.44 -2.27 0.00 0.00 179.45 176.64 3hm4 h ASP 89 N -0.17 0.11 0.04 4.20 3.32 -1.06 0.09 116.42 122.96 3hm4 h ASP 89 Ca 0.16 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 3hm4 h ASP 89 Cb 0.41 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3hm4 h ASP 89 CO -0.40 0.42 -0.02 0.00 -1.72 0.00 0.00 179.24 177.52 3hm4 h ALA 90 N 0.70 -0.06 -0.40 3.45 0.00 -0.97 -1.20 119.26 120.77 3hm4 h ALA 90 Ca 0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3hm4 h ALA 90 Cb 0.37 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3hm4 h ALA 90 CO 0.00 -0.24 -0.05 0.28 0.00 0.00 0.00 179.25 179.25 3hm4 h VAL 91 N -0.65 1.23 -0.51 0.00 2.07 -1.12 -1.28 116.25 116.00 3hm4 h VAL 91 Ca -0.01 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.55 3hm4 h VAL 91 Cb 0.57 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3hm4 h VAL 91 CO 0.01 0.34 0.29 1.23 0.02 0.00 0.00 177.57 179.46 3hm4 h GLY 92 N 0.94 0.71 0.95 2.17 0.00 -0.95 -0.82 103.07 106.07 3hm4 h GLY 92 Ca 0.12 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 3hm4 h GLY 92 CO 0.02 0.16 -0.09 -2.09 0.00 0.00 0.00 176.54 174.55 3hm4 h GLU 93 N 0.57 0.70 -0.72 4.80 4.57 -0.91 -0.45 114.58 123.14 3hm4 h GLU 93 Ca 0.21 -0.27 0.09 0.00 -1.18 0.00 0.00 59.36 58.22 3hm4 h GLU 93 Cb 0.06 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 3hm4 h GLU 93 CO -0.11 0.86 0.37 0.28 -1.18 0.00 0.00 179.01 179.22 3hm4 h VAL 94 N 0.49 0.85 -0.26 0.32 2.07 -1.07 -2.76 116.25 115.89 3hm4 h VAL 94 Ca 0.09 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 3hm4 h VAL 94 Cb 0.60 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3hm4 h VAL 94 CO 0.04 0.11 -0.08 0.74 0.02 0.00 0.00 177.57 178.40 3hm4 h THR 95 N 0.62 1.29 0.00 2.57 2.02 -0.91 0.56 112.91 119.06 3hm4 h THR 95 Ca 0.36 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3hm4 h THR 95 Cb 0.37 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3hm4 h THR 95 CO -0.27 0.35 0.00 0.59 0.37 0.00 0.00 175.52 176.56 3hm4 n ASN 96 N -4.52 0.00 0.00 4.18 3.02 -0.20 -1.08 115.26 116.67 3hm4 n ASN 96 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 3hm4 n ASN 96 Cb 0.32 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 3hm4 n ASN 96 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hm4 n ILE 98 N 0.18 0.00 -0.02 2.41 5.41 0.19 -1.31 119.36 126.22 3hm4 n ILE 98 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 3hm4 n ILE 98 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.89 3hm4 n ILE 98 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 3hm4 h SER 99 N 0.00 -0.00 -0.29 4.38 0.87 -1.36 0.15 113.55 117.31 3hm4 h SER 99 Ca 0.00 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3hm4 h SER 99 Cb 0.00 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3hm4 h SER 99 CO 0.00 0.02 0.14 1.23 -0.53 0.00 0.00 176.83 177.70 3hm4 h GLY 100 N 0.08 0.43 1.43 5.77 0.00 -1.45 -0.75 103.07 108.58 3hm4 h GLY 100 Ca 0.06 -0.21 -0.19 0.00 0.00 0.00 0.00 47.33 47.00 3hm4 h GLY 100 CO -0.09 0.20 -0.69 1.46 0.00 0.00 0.00 176.54 177.42 3hm4 h GLN 101 N 0.33 0.57 -0.52 4.80 4.20 -1.80 -0.72 115.11 121.96 3hm4 h GLN 101 Ca 0.10 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.33 3hm4 h GLN 101 Cb 0.10 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3hm4 h GLN 101 CO -0.01 1.05 0.15 0.00 -0.67 0.00 0.00 178.83 179.35 3hm4 h ALA 102 N 0.83 0.68 -0.13 3.87 0.00 -0.61 -2.04 119.26 121.87 3hm4 h ALA 102 Ca -0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3hm4 h ALA 102 Cb 1.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3hm4 h ALA 102 CO 0.13 0.36 -0.43 0.00 0.00 0.00 0.00 179.25 179.31 3hm4 h ARG 103 N 0.72 0.31 -0.63 0.00 3.08 -1.04 0.50 114.38 117.32 3hm4 h ARG 103 Ca 0.17 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3hm4 h ARG 103 Cb 0.30 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 3hm4 h ARG 103 CO -0.00 0.68 0.31 0.00 -1.07 0.00 0.00 179.97 179.89 3hm4 h ALA 104 N 1.30 0.81 -0.36 0.04 0.00 -0.93 -0.46 119.26 119.66 3hm4 h ALA 104 Ca 0.02 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3hm4 h ALA 104 Cb 0.86 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3hm4 h ALA 104 CO 0.07 0.36 -0.32 0.00 0.00 0.00 0.00 179.25 179.36 3hm4 h ALA 105 N 1.14 0.76 -0.73 0.00 0.00 -0.93 -2.36 119.26 117.14 3hm4 h ALA 105 Ca 0.22 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3hm4 h ALA 105 Cb 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3hm4 h ALA 105 CO -0.03 0.65 0.25 -0.07 0.00 0.00 0.00 179.25 180.06 3hm4 h LEU 106 N 0.67 1.03 -1.33 0.00 3.38 -0.68 -2.48 115.31 115.90 3hm4 h LEU 106 Ca 0.07 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3hm4 h LEU 106 Cb 0.86 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3hm4 h LEU 106 CO 0.08 0.94 0.05 -1.28 0.09 0.00 0.00 178.44 178.31 3hm4 h SER 107 N 1.07 0.46 0.00 -0.43 0.87 -0.73 -2.85 113.55 111.94 3hm4 h SER 107 Ca 0.24 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3hm4 h SER 107 Cb 0.26 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3hm4 h SER 107 CO -0.01 0.49 0.00 -0.62 -0.53 0.00 0.00 176.83 176.16 3hm4 n GLU 108 N -4.32 0.34 -3.52 2.24 1.02 -0.92 -4.85 120.64 110.62 3hm4 n GLU 108 Ca 0.02 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.89 3hm4 n GLU 108 Cb 0.20 -1.33 -0.09 0.00 -0.02 0.00 0.00 31.44 30.20 3hm4 n GLU 108 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hm4 n GLY 110 N 1.62 4.19 3.49 0.62 0.00 -1.08 -5.12 105.19 108.91 3hm4 n GLY 110 Ca 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 46.02 43.54 3hm4 n GLY 110 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hm4 s THR 112 N -1.88 -0.33 0.01 2.61 2.01 -1.26 -5.10 115.64 111.69 3hm4 s THR 112 Ca 0.35 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.40 3hm4 s THR 112 Cb 0.09 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 3hm4 s THR 112 CO -0.08 0.00 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.32 3hm4 s PHE 113 N 2.07 1.55 0.19 4.92 0.40 -1.26 -0.84 117.98 125.01 3hm4 s PHE 113 Ca -0.05 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 3hm4 s PHE 113 Cb -0.05 -0.96 -0.03 0.00 0.51 0.00 0.00 43.02 42.48 3hm4 s PHE 113 CO -0.17 0.02 0.33 -0.65 0.70 0.00 0.00 175.22 175.45 3hm4 s GLN 114 N -0.77 3.45 -0.04 0.44 -1.52 0.41 -4.93 119.66 116.70 3hm4 s GLN 114 Ca 0.06 -0.61 0.06 0.00 -1.95 0.00 0.00 55.36 52.92 3hm4 s GLN 114 Cb -0.07 -2.92 -0.02 0.00 -0.22 0.00 0.00 33.01 29.78 3hm4 s GLN 114 CO 0.00 0.47 -0.23 0.20 -0.25 0.00 0.00 175.29 175.48 3hm4 s GLY 115 N -3.49 1.34 0.68 3.09 0.00 -1.26 -1.50 107.32 106.19 3hm4 s GLY 115 Ca 0.35 -1.06 -0.10 0.00 0.00 0.00 0.00 44.72 43.91 3hm4 s GLY 115 CO 0.29 -0.77 0.93 0.00 0.00 0.00 0.00 173.10 173.55 3hm4 n ALA 116 N 2.65 -0.93 -2.04 3.20 0.00 -0.16 -5.01 120.51 118.22 3hm4 n ALA 116 Ca -0.17 -1.28 -0.39 0.00 0.00 0.00 0.00 53.44 51.60 3hm4 n ALA 116 Cb 0.52 -0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 3hm4 n ALA 116 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hm4 s THR 117 N -2.97 4.45 0.78 0.00 -4.23 -1.26 -4.74 115.64 107.67 3hm4 s THR 117 Ca 0.54 1.56 -0.11 0.00 -1.18 0.00 0.00 61.69 62.50 3hm4 s THR 117 Cb -0.02 -4.05 0.06 0.00 1.34 0.00 0.00 72.50 69.83 3hm4 s THR 117 CO 0.37 0.46 1.09 -2.84 -0.54 0.00 0.00 174.62 173.16 3hm4 s PRO 118 N -1.31 2.24 0.04 3.99 0.02 -1.26 -4.63 135.00 134.08 3hm4 s PRO 118 Ca 0.36 0.76 0.07 0.00 0.02 0.00 0.00 61.00 62.21 3hm4 s PRO 118 Cb -0.21 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 3hm4 s PRO 118 CO 0.24 -1.54 -0.19 -1.12 -0.33 0.00 0.00 177.00 174.06 3hm4 s SER 119 N -3.81 2.24 -0.11 2.53 0.01 -0.24 -4.99 113.70 109.32 3hm4 s SER 119 Ca 0.60 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.37 3hm4 s SER 119 Cb -0.15 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 3hm4 s SER 119 CO 0.55 0.13 -0.11 -0.69 0.41 0.00 0.00 173.24 173.53 3hm4 s VAL 120 N -0.78 3.24 0.39 3.43 1.01 -1.26 -1.36 120.40 125.07 3hm4 s VAL 120 Ca 0.06 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.50 3hm4 s VAL 120 Cb -0.08 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 3hm4 s VAL 120 CO 0.01 0.54 0.15 -0.63 0.00 0.00 0.00 175.10 175.18 3hm4 s ILE 121 N 0.03 2.45 0.00 2.22 1.09 0.63 -4.99 121.20 122.62 3hm4 s ILE 121 Ca -0.03 -1.73 0.00 0.00 -1.10 0.00 0.00 60.65 57.78 3hm4 s ILE 121 Cb -0.14 -2.97 0.00 0.00 -1.06 0.00 0.00 42.46 38.29 3hm4 s ILE 121 CO 0.04 -0.05 0.00 0.61 -0.10 0.00 0.00 174.94 175.44 3hm4 n GLY 123 N -1.19 0.56 3.73 6.18 0.00 -1.08 -1.10 105.19 112.30 3hm4 n GLY 123 Ca -0.02 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 3hm4 n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hm4 s ASP 124 N -0.06 6.55 -1.39 1.61 1.01 -1.26 -2.53 116.67 120.60 3hm4 s ASP 124 Ca 0.00 2.72 0.00 0.00 0.71 0.00 0.00 52.55 55.98 3hm4 s ASP 124 Cb 0.00 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.32 3hm4 s ASP 124 CO 0.00 -0.81 0.00 0.61 0.21 0.00 0.00 175.17 175.18 3hm4 n GLY 125 N 2.93 0.19 3.77 0.21 0.00 -0.66 -4.96 105.19 106.67 3hm4 n GLY 125 Ca 0.10 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 3hm4 n GLY 125 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hm4 s HIS 126 N -2.71 2.59 0.12 1.61 -3.43 -0.37 -4.70 115.29 108.40 3hm4 s HIS 126 Ca 0.00 1.11 0.10 0.00 -0.80 0.00 0.00 55.06 55.48 3hm4 s HIS 126 Cb 0.00 -3.19 -0.04 0.00 -1.43 0.00 0.00 32.58 27.92 3hm4 s HIS 126 CO 0.00 -2.11 -0.26 0.95 -2.00 0.00 0.00 174.74 171.32 3hm4 s THR 127 N -3.11 2.13 -0.03 -5.38 -4.23 -1.26 -1.33 115.64 102.43 3hm4 s THR 127 Ca 0.62 -1.71 0.05 0.00 -1.18 0.00 0.00 61.69 59.48 3hm4 s THR 127 Cb -0.16 -1.90 -0.01 0.00 1.34 0.00 0.00 72.50 71.78 3hm4 s THR 127 CO 0.55 0.06 -0.18 -0.51 -0.54 0.00 0.00 174.62 174.00 3hm4 s ILE 128 N -1.08 1.49 -0.05 2.99 2.07 -0.26 -4.95 121.20 121.40 3hm4 s ILE 128 Ca 0.12 -0.77 0.02 0.00 -1.41 0.00 0.00 60.65 58.61 3hm4 s ILE 128 Cb -0.10 -1.27 0.01 0.00 0.13 0.00 0.00 42.46 41.24 3hm4 s ILE 128 CO 0.06 0.43 -0.11 -0.44 -1.91 0.00 0.00 174.94 172.96 3hm4 s SER 129 N -0.16 1.55 0.00 4.50 0.01 -1.26 -0.90 113.70 117.45 3hm4 s SER 129 Ca 0.00 -0.25 -0.26 0.00 1.31 0.00 0.00 55.95 56.75 3hm4 s SER 129 Cb -0.10 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 3hm4 s SER 129 CO 0.01 0.03 0.81 -1.00 0.41 0.00 0.00 173.24 173.51 3hm4 s HIS 130 N 0.56 3.67 -0.52 2.43 3.76 -1.26 -5.03 115.29 118.91 3hm4 s HIS 130 Ca -0.11 1.48 -0.15 0.00 -0.15 0.00 0.00 55.06 56.13 3hm4 s HIS 130 Cb -0.14 -2.91 0.12 0.00 1.11 0.00 0.00 32.58 30.76 3hm4 s HIS 130 CO 0.02 0.14 0.47 0.08 -0.85 0.00 0.00 174.74 174.60 3hm4 s VAL 131 N 0.47 5.14 -0.08 -0.90 1.01 -1.26 -4.99 120.40 119.79 3hm4 s VAL 131 Ca 0.42 -1.43 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 3hm4 s VAL 131 Cb -0.20 -4.26 0.10 0.00 0.00 0.00 0.00 36.38 32.02 3hm4 s VAL 131 CO 0.23 -0.81 0.84 0.28 0.00 0.00 0.00 175.10 175.65 3hm4 s THR 132 N 1.59 0.00 -0.79 3.92 -1.32 -1.26 -5.02 115.64 112.76 3hm4 s THR 132 Ca 0.03 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.77 3hm4 s THR 132 Cb -0.29 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 69.83 3hm4 s THR 132 CO 0.03 0.00 1.54 0.29 -2.21 0.00 0.00 174.62 174.27 3hm4 n LYS 133 N 0.58 0.18 -1.46 7.08 5.02 -1.26 -4.90 118.16 123.41 3hm4 n LYS 133 Ca -0.14 0.09 -0.31 0.00 -2.02 0.00 0.00 58.31 55.93 3hm4 n LYS 133 Cb 0.59 -1.65 0.07 0.00 -0.02 0.00 0.00 35.03 34.02 3hm4 n LYS 133 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3hm4 s SER 134 N -3.87 5.00 0.62 4.39 0.01 -1.26 -5.02 113.70 113.57 3hm4 s SER 134 Ca 0.09 1.66 -0.18 0.00 1.31 0.00 0.00 55.95 58.84 3hm4 s SER 134 Cb 0.15 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 3hm4 s SER 134 CO 0.66 -1.69 1.20 -2.84 0.41 0.00 0.00 173.24 170.97 3hm4 s PRO 135 N -5.00 2.84 -0.18 12.44 0.02 -1.26 -4.98 135.00 138.88 3hm4 s PRO 135 Ca 0.59 1.78 -0.08 0.00 0.02 0.00 0.00 61.00 63.32 3hm4 s PRO 135 Cb -0.15 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 3hm4 s PRO 135 CO 0.55 -1.30 0.08 0.08 -0.33 0.00 0.00 177.00 176.09 3hm4 s VAL 136 N -1.70 5.00 -0.18 3.83 1.01 -1.26 -4.58 120.40 122.52 3hm4 s VAL 136 Ca 0.76 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.69 3hm4 s VAL 136 Cb -0.29 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 3hm4 s VAL 136 CO 0.35 0.46 0.13 -0.63 0.00 0.00 0.00 175.10 175.41 3hm4 s ILE 137 N 0.31 5.41 -0.00 2.22 -1.09 -0.51 -0.58 121.20 126.96 3hm4 s ILE 137 Ca 0.05 0.19 0.07 0.00 -2.23 0.00 0.00 60.65 58.72 3hm4 s ILE 137 Cb -0.12 -3.44 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 3hm4 s ILE 137 CO -0.00 0.49 -0.21 0.00 -1.23 0.00 0.00 174.94 173.99 3hm4 s ALA 138 N -0.02 2.44 -0.19 9.38 0.00 0.16 -1.08 121.76 132.45 3hm4 s ALA 138 Ca 0.10 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3hm4 s ALA 138 Cb -0.11 -0.71 0.04 0.00 0.00 0.00 0.00 23.12 22.34 3hm4 s ALA 138 CO -0.00 0.55 -0.10 0.42 0.00 0.00 0.00 175.76 176.63 3hm4 s ILE 139 N -0.76 1.56 0.27 0.00 1.01 0.65 -0.90 121.20 123.02 3hm4 s ILE 139 Ca 0.12 -0.93 -0.22 0.00 0.00 0.00 0.00 60.65 59.62 3hm4 s ILE 139 Cb -0.10 -1.64 -0.09 0.00 0.01 0.00 0.00 42.46 40.64 3hm4 s ILE 139 CO 0.02 0.18 0.82 -2.16 0.00 0.00 0.00 174.94 173.80 3hm4 s PRO 140 N 1.44 4.40 0.01 2.79 0.04 -1.26 -1.48 135.00 140.93 3hm4 s PRO 140 Ca -0.01 1.07 0.04 0.00 0.04 0.00 0.00 61.00 62.14 3hm4 s PRO 140 Cb -0.16 -2.84 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 3hm4 s PRO 140 CO -0.08 0.34 -0.12 -0.06 0.04 0.00 0.00 177.00 177.13 3hm4 s PHE 141 N -1.56 1.02 -0.03 0.56 0.40 0.11 -0.63 117.98 117.85 3hm4 s PHE 141 Ca 0.46 -0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.54 3hm4 s PHE 141 Cb -0.17 -0.64 -0.04 0.00 0.51 0.00 0.00 43.02 42.68 3hm4 s PHE 141 CO 0.22 -0.01 0.05 0.15 0.70 0.00 0.00 175.22 176.34 3hm4 s LYS 142 N -0.53 3.02 0.22 0.44 1.02 -0.70 -2.23 119.74 120.98 3hm4 s LYS 142 Ca 0.03 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.56 3hm4 s LYS 142 Cb -0.05 -2.84 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 3hm4 s LYS 142 CO 0.00 0.67 0.14 0.95 -0.92 0.00 0.00 175.35 176.19 3hm4 s THR 143 N -1.08 0.07 -0.82 2.17 -4.23 -1.10 -0.38 115.64 110.27 3hm4 s THR 143 Ca 0.19 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.83 3hm4 s THR 143 Cb -0.12 -2.52 0.12 0.00 1.34 0.00 0.00 72.50 71.33 3hm4 s THR 143 CO 0.10 0.00 1.40 0.59 -0.54 0.00 0.00 174.62 176.17 3hm4 n ASN 144 N -0.42 0.18 -0.41 3.99 3.02 -1.26 -2.74 115.26 117.62 3hm4 n ASN 144 Ca 0.02 0.56 0.07 0.00 -0.03 0.00 0.00 54.58 55.20 3hm4 n ASN 144 Cb 0.66 -0.59 0.16 0.00 -0.61 0.00 0.00 39.78 39.39 3hm4 n ASN 144 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3hm4 n HIS 145 N -1.71 0.00 -0.08 3.10 8.25 -1.26 -5.11 115.22 118.41 3hm4 n HIS 145 Ca 0.02 -1.13 0.00 0.00 -0.26 0.00 0.00 57.72 56.34 3hm4 n HIS 145 Cb 0.12 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.04 3hm4 n HIS 145 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hm4 n GLY 146 N -1.10 -3.18 3.90 -1.41 0.00 -1.11 -2.03 105.19 100.26 3hm4 n GLY 146 Ca 0.16 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.81 3hm4 n GLY 146 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hm4 s GLU 147 N -0.57 3.66 0.17 1.61 2.02 -1.26 -2.71 118.70 121.62 3hm4 s GLU 147 Ca 0.00 -0.01 -0.09 0.00 0.02 0.00 0.00 54.97 54.89 3hm4 s GLU 147 Cb 0.00 -2.76 -0.01 0.00 0.10 0.00 0.00 34.13 31.46 3hm4 s GLU 147 CO 0.00 0.37 0.29 -0.59 0.02 0.00 0.00 175.26 175.35 3hm4 s PHE 148 N -1.80 0.42 -0.02 1.61 -0.12 -0.95 -2.89 117.98 114.23 3hm4 s PHE 148 Ca 0.43 -0.78 0.02 0.00 -0.05 0.00 0.00 56.93 56.55 3hm4 s PHE 148 Cb -0.11 -0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.22 3hm4 s PHE 148 CO 0.25 -0.73 -0.06 0.99 -0.05 0.00 0.00 175.22 175.62 3hm4 s THR 149 N -3.98 0.56 -0.14 -4.49 2.01 -0.57 -0.71 115.64 108.32 3hm4 s THR 149 Ca 0.18 -0.25 -0.05 0.00 0.31 0.00 0.00 61.69 61.87 3hm4 s THR 149 Cb 0.03 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 3hm4 s THR 149 CO 0.01 0.18 0.05 -0.69 -0.69 0.00 0.00 174.62 173.48 3hm4 s VAL 150 N 0.15 4.70 0.10 3.82 1.01 -0.55 -0.86 120.40 128.77 3hm4 s VAL 150 Ca -0.02 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 61.96 3hm4 s VAL 150 Cb -0.06 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 3hm4 s VAL 150 CO -0.00 0.53 -0.19 -1.61 0.00 0.00 0.00 175.10 173.83 3hm4 s GLU 151 N -0.23 1.06 0.09 2.72 2.02 0.04 -0.25 118.70 124.14 3hm4 s GLU 151 Ca 0.07 -1.12 -0.11 0.00 0.02 0.00 0.00 54.97 53.83 3hm4 s GLU 151 Cb -0.12 -1.26 0.01 0.00 0.10 0.00 0.00 34.13 32.86 3hm4 s GLU 151 CO 0.02 0.29 0.26 -0.59 0.02 0.00 0.00 175.26 175.25 3hm4 s PHE 152 N -1.20 0.02 0.06 1.61 -0.71 -0.24 -0.43 117.98 117.09 3hm4 s PHE 152 Ca 0.05 -0.37 -0.05 0.00 -1.04 0.00 0.00 56.93 55.52 3hm4 s PHE 152 Cb -0.10 0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.74 3hm4 s PHE 152 CO 0.04 -0.57 0.09 0.00 -1.34 0.00 0.00 175.22 173.44 3hm4 s LEU 154 N -2.67 0.79 0.00 0.00 1.43 -1.26 -2.16 118.68 114.80 3hm4 s LEU 154 Ca 0.03 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 3hm4 s LEU 154 Cb 0.04 0.71 0.00 0.00 0.03 0.00 0.00 46.19 46.97 3hm4 s LEU 154 CO -0.09 -0.12 0.00 -1.84 0.23 0.00 0.00 176.35 174.53