#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm4 h SER 4 N 0.00 0.00 0.00 -3.46 4.64 -2.00 -3.47 113.55 109.26 3hm4 h SER 4 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hm4 h SER 4 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hm4 h SER 4 CO 0.00 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 3hm4 n GLY 5 N 0.43 1.30 0.31 -0.77 0.00 -1.26 -4.42 105.19 100.78 3hm4 n GLY 5 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3hm4 n GLY 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hm4 h ILE 6 N 0.00 0.98 0.00 -0.61 2.10 -1.97 -0.74 117.51 117.27 3hm4 h ILE 6 Ca 0.00 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.86 3hm4 h ILE 6 Cb 0.00 0.71 0.00 0.00 -1.09 0.00 0.00 36.82 36.44 3hm4 h ILE 6 CO 0.00 0.04 0.00 -0.33 -1.08 0.00 0.00 178.15 176.78 3hm4 h GLU 7 N 0.25 0.00 -0.29 2.19 4.39 -1.99 -2.10 114.58 117.03 3hm4 h GLU 7 Ca 0.13 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.72 3hm4 h GLU 7 Cb 0.20 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.78 3hm4 h GLU 7 CO -0.02 0.00 -0.06 0.44 -1.16 0.00 0.00 179.01 178.21 3hm4 n ILE 8 N -2.90 2.42 0.18 3.13 -0.00 -0.29 -4.67 119.36 117.23 3hm4 n ILE 8 Ca -0.01 -2.47 0.04 0.00 -0.00 0.00 0.00 62.75 60.30 3hm4 n ILE 8 Cb 0.14 -0.29 0.44 0.00 -0.00 0.00 0.00 39.64 39.93 3hm4 n ILE 8 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3hm4 h ALA 9 N 1.15 1.58 -0.40 -1.28 0.00 -1.37 -3.33 119.26 115.60 3hm4 h ALA 9 Ca 0.14 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3hm4 h ALA 9 Cb 1.53 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 3hm4 h ALA 9 CO 0.30 0.31 0.01 -0.22 0.00 0.00 0.00 179.25 179.66 3hm4 h LYS 10 N 0.07 0.12 -0.33 0.00 3.11 -1.83 -1.01 116.57 116.70 3hm4 h LYS 10 Ca 0.01 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 3hm4 h LYS 10 Cb 0.41 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.59 3hm4 h LYS 10 CO 0.03 0.08 0.18 -1.00 -2.81 0.00 0.00 179.45 175.92 3hm4 h PRO 11 N 0.12 0.44 -0.18 1.90 0.13 -1.93 0.14 132.00 132.61 3hm4 h PRO 11 Ca 0.20 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 65.11 3hm4 h PRO 11 Cb 0.28 -0.09 0.01 0.00 0.13 0.00 0.00 31.00 31.32 3hm4 h PRO 11 CO -0.32 0.33 -0.60 0.74 -0.23 0.00 0.00 178.00 177.92 3hm4 h PHE 12 N 0.45 0.96 -0.03 1.56 0.04 -1.52 -2.22 116.94 116.18 3hm4 h PHE 12 Ca 0.12 -0.39 -0.01 0.00 2.80 0.00 0.00 57.97 60.49 3hm4 h PHE 12 Cb 0.02 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.01 3hm4 h PHE 12 CO 0.00 1.20 -0.01 0.28 -0.60 0.00 0.00 178.31 179.19 3hm4 h VAL 13 N 0.45 1.28 -0.56 -0.55 2.07 -0.65 -1.59 116.25 116.70 3hm4 h VAL 13 Ca -0.02 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3hm4 h VAL 13 Cb 1.22 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 3hm4 h VAL 13 CO 0.13 0.23 0.37 0.74 0.02 0.00 0.00 177.57 179.06 3hm4 h THR 14 N -0.28 1.14 -0.44 2.57 2.02 -0.84 0.39 112.91 117.46 3hm4 h THR 14 Ca 0.01 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 66.94 3hm4 h THR 14 Cb 0.37 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3hm4 h THR 14 CO 0.00 0.14 0.28 0.00 0.37 0.00 0.00 175.52 176.31 3hm4 h ALA 15 N 1.21 0.56 -0.19 6.16 0.00 -1.36 -0.12 119.26 125.52 3hm4 h ALA 15 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hm4 h ALA 15 Cb -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hm4 h ALA 15 CO -0.05 -0.02 0.11 1.15 0.00 0.00 0.00 179.25 180.45 3hm4 h THR 16 N 0.57 1.08 -0.24 0.00 2.02 -0.90 -0.28 112.91 115.16 3hm4 h THR 16 Ca 0.17 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3hm4 h THR 16 Cb -0.03 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3hm4 h THR 16 CO -0.06 0.08 0.16 0.74 0.37 0.00 0.00 175.52 176.81 3hm4 h THR 17 N 0.22 1.07 -0.23 3.16 2.02 -0.76 -1.27 112.91 117.12 3hm4 h THR 17 Ca 0.07 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3hm4 h THR 17 Cb 0.03 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3hm4 h THR 17 CO -0.01 0.06 0.12 -1.13 0.37 0.00 0.00 175.52 174.93 3hm4 h ASN 18 N 0.32 0.29 -0.07 4.18 -1.24 -0.88 -0.63 115.58 117.55 3hm4 h ASN 18 Ca 0.09 -0.11 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 3hm4 h ASN 18 Cb -0.03 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 38.94 3hm4 h ASN 18 CO -0.02 0.32 0.02 0.58 -1.29 0.00 0.00 177.43 177.04 3hm4 h VAL 19 N 0.24 1.17 -0.73 2.57 2.07 -0.93 -1.21 116.25 119.43 3hm4 h VAL 19 Ca 0.08 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 3hm4 h VAL 19 Cb 0.10 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3hm4 h VAL 19 CO -0.01 0.14 0.29 -0.07 0.02 0.00 0.00 177.57 177.94 3hm4 h LEU 20 N -0.08 0.99 0.02 2.57 -0.00 -1.19 -3.01 115.31 114.62 3hm4 h LEU 20 Ca 0.02 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 57.76 3hm4 h LEU 20 Cb 0.21 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 3hm4 h LEU 20 CO -0.00 0.88 -0.01 -1.28 -0.00 0.00 0.00 178.44 178.03 3hm4 h SER 21 N 1.05 -0.02 0.00 -0.43 0.87 -1.03 -1.54 113.55 112.45 3hm4 h SER 21 Ca 0.24 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hm4 h SER 21 Cb 0.20 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3hm4 h SER 21 CO -0.02 0.23 0.00 0.35 -0.53 0.00 0.00 176.83 176.86 3hm4 n THR 22 N -4.98 0.00 0.00 2.23 -2.24 -0.47 -0.59 114.28 108.23 3hm4 n THR 22 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3hm4 n THR 22 Cb 0.15 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.51 0.00 -1.71 6.98 0.00 -0.61 -5.06 120.51 119.59 3hm4 n ALA 24 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3hm4 n ALA 24 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.39 1.32 0.39 0.00 0.00 0.24 -4.79 105.19 101.97 3hm4 n GLY 25 Ca 0.00 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.98 3hm4 n GLY 25 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hm4 n ILE 26 N -2.80 0.18 -3.49 -0.61 -5.35 -1.26 -4.95 119.36 101.08 3hm4 n ILE 26 Ca -0.19 -0.25 -0.24 0.00 -0.27 0.00 0.00 62.75 61.80 3hm4 n ILE 26 Cb 0.62 0.16 0.05 0.00 -1.74 0.00 0.00 39.64 38.73 3hm4 n ILE 26 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hm4 n GLN 27 N 0.01 -1.62 -2.06 6.28 6.02 -1.26 -0.54 117.38 124.21 3hm4 n GLN 27 Ca 0.14 0.67 -0.41 0.00 -0.01 0.00 0.00 57.00 57.39 3hm4 n GLN 27 Cb 0.24 -4.82 -0.02 0.00 1.02 0.00 0.00 30.24 26.66 3hm4 n GLN 27 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3hm4 s PRO 28 N -5.21 4.30 -0.25 -1.09 0.04 -1.26 -4.38 135.00 127.15 3hm4 s PRO 28 Ca 0.44 2.25 0.01 0.00 0.04 0.00 0.00 61.00 63.74 3hm4 s PRO 28 Cb -0.12 -3.12 0.06 0.00 0.04 0.00 0.00 34.50 31.37 3hm4 s PRO 28 CO 0.81 -0.36 -0.05 0.42 0.04 0.00 0.00 177.00 177.86 3hm4 s ILE 29 N -0.15 1.65 0.35 0.56 1.01 0.39 -4.98 121.20 120.04 3hm4 s ILE 29 Ca 0.57 -1.36 -0.26 0.00 0.00 0.00 0.00 60.65 59.60 3hm4 s ILE 29 Cb -0.41 -1.92 -0.09 0.00 0.01 0.00 0.00 42.46 40.05 3hm4 s ILE 29 CO 0.44 -0.14 1.05 -2.16 0.00 0.00 0.00 174.94 174.13 3hm4 s PRO 30 N 1.33 4.35 0.00 2.79 0.04 -1.26 -1.69 135.00 140.56 3hm4 s PRO 30 Ca -0.05 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.57 3hm4 s PRO 30 Cb -0.19 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.58 3hm4 s PRO 30 CO -0.07 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.40 3hm4 n GLY 31 N 0.64 0.40 3.72 0.56 0.00 0.77 -4.97 105.19 106.32 3hm4 n GLY 31 Ca 0.03 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 3hm4 n GLY 31 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hm4 s GLN 32 N -0.83 4.53 0.58 1.61 2.00 -1.26 -4.70 119.66 121.59 3hm4 s GLN 32 Ca 0.00 1.68 -0.20 0.00 -2.00 0.00 0.00 55.36 54.84 3hm4 s GLN 32 Cb 0.00 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 30.44 3hm4 s GLN 32 CO 0.00 -0.06 1.26 -2.14 -0.50 0.00 0.00 175.29 173.85 3hm4 s PRO 33 N 0.41 3.00 0.04 1.67 0.02 -1.26 -4.49 135.00 134.38 3hm4 s PRO 33 Ca 0.53 1.99 -0.02 0.00 0.02 0.00 0.00 61.00 63.52 3hm4 s PRO 33 Cb -0.28 -2.04 -0.02 0.00 0.02 0.00 0.00 34.50 32.17 3hm4 s PRO 33 CO 0.31 -1.23 0.01 1.52 -0.33 0.00 0.00 177.00 177.29 3hm4 s TYR 34 N -1.46 0.34 -0.19 6.54 1.13 0.16 -4.99 117.35 118.88 3hm4 s TYR 34 Ca 0.76 -0.74 -0.29 0.00 -1.41 0.00 0.00 57.07 55.39 3hm4 s TYR 34 Cb -0.35 -0.25 0.00 0.00 -1.10 0.00 0.00 41.96 40.26 3hm4 s TYR 34 CO 0.39 -0.32 1.04 0.08 -2.51 0.00 0.00 175.55 174.22 3hm4 s VAL 35 N -2.82 4.70 0.22 -3.49 1.01 -1.26 -0.64 120.40 118.11 3hm4 s VAL 35 Ca -0.03 2.02 -0.31 0.00 0.00 0.00 0.00 61.98 63.66 3hm4 s VAL 35 Cb 0.00 -4.30 -0.10 0.00 0.00 0.00 0.00 36.38 31.98 3hm4 s VAL 35 CO -0.06 -0.12 1.50 -0.54 0.00 0.00 0.00 175.10 175.89 3hm4 s LYS 36 N 2.83 4.23 -0.03 2.72 1.02 0.06 -4.90 119.74 125.68 3hm4 s LYS 36 Ca 0.46 2.35 0.14 0.00 0.02 0.00 0.00 55.97 58.94 3hm4 s LYS 36 Cb -0.16 -3.12 -0.21 0.00 -0.52 0.00 0.00 37.83 33.81 3hm4 s LYS 36 CO 0.10 -0.51 0.29 1.63 -0.92 0.00 0.00 175.35 175.94 3hm4 n LYS 37 N 2.94 0.52 -2.51 1.68 4.76 -1.26 -4.70 118.16 119.59 3hm4 n LYS 37 Ca 0.10 -0.12 -0.31 0.00 -2.87 0.00 0.00 58.31 55.10 3hm4 n LYS 37 Cb 0.39 -1.33 -0.03 0.00 -1.84 0.00 0.00 35.03 32.22 3hm4 n LYS 37 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3hm4 s ASN 38 N -3.69 6.57 0.00 4.39 0.01 -1.26 -5.01 114.94 115.95 3hm4 s ASN 38 Ca -0.05 1.43 0.28 0.00 -0.71 0.00 0.00 52.86 53.80 3hm4 s ASN 38 Cb 0.09 -2.45 1.07 0.00 0.41 0.00 0.00 41.25 40.37 3hm4 s ASN 38 CO 0.58 -0.55 1.76 -0.46 -1.51 0.00 0.00 177.10 176.92 3hm4 n ASN 39 N -1.57 1.44 -4.02 -1.22 0.23 -1.26 -4.90 115.26 103.97 3hm4 n ASN 39 Ca 0.05 -1.49 -0.08 0.00 -0.53 0.00 0.00 54.58 52.53 3hm4 n ASN 39 Cb 0.54 -0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.13 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 -1.99 0.16 -0.18 3.53 -7.23 -1.26 -4.55 120.40 108.87 3hm4 s VAL 40 Ca 0.38 -1.24 -0.07 0.00 -1.81 0.00 0.00 61.98 59.24 3hm4 s VAL 40 Cb 0.21 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 3hm4 s VAL 40 CO 0.33 -0.68 0.05 0.00 -0.31 0.00 0.00 175.10 174.49 3hm4 s ALA 41 N -2.37 3.33 -0.14 1.32 0.00 -0.26 -4.96 121.76 118.69 3hm4 s ALA 41 Ca -0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3hm4 s ALA 41 Cb -0.03 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 3hm4 s ALA 41 CO -0.04 0.12 -0.12 0.21 0.00 0.00 0.00 175.76 175.93 3hm4 s LYS 42 N 0.48 3.40 0.00 0.00 2.20 -1.26 -1.18 119.74 123.38 3hm4 s LYS 42 Ca 0.02 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 54.96 3hm4 s LYS 42 Cb -0.13 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.51 3hm4 s LYS 42 CO 0.01 0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.58 3hm4 n GLY 43 N 3.66 1.12 0.04 5.54 0.00 -0.50 -4.96 105.19 110.10 3hm4 n GLY 43 Ca -0.18 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.09 3.17 -3.81 1.61 8.00 -0.63 -1.59 116.55 123.20 3hm4 n ASP 44 Ca 0.00 -0.02 -0.19 0.00 0.71 0.00 0.00 54.79 55.29 3hm4 n ASP 44 Cb 0.00 0.31 -0.17 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.19 0.26 0.24 2.53 1.01 -1.11 -2.35 120.40 118.78 3hm4 s VAL 45 Ca -0.08 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.05 3hm4 s VAL 45 Cb 0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 3hm4 s VAL 45 CO 0.27 0.18 -0.10 -0.44 0.00 0.00 0.00 175.10 175.02 3hm4 s SER 46 N 1.27 2.61 0.03 3.32 0.01 -0.25 0.01 113.70 120.69 3hm4 s SER 46 Ca -0.06 -1.10 -0.01 0.00 1.31 0.00 0.00 55.95 56.09 3hm4 s SER 46 Cb -0.13 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.93 3hm4 s SER 46 CO -0.02 -0.25 -0.02 0.00 0.41 0.00 0.00 173.24 173.36 3hm4 s ALA 47 N -3.01 0.19 -0.05 1.44 0.00 0.06 0.07 121.76 120.46 3hm4 s ALA 47 Ca 0.26 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.39 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 0.09 -0.22 0.25 0.54 0.00 0.00 0.00 175.76 176.42 3hm4 s VAL 48 N -2.11 0.04 -0.13 0.00 0.11 -0.35 -0.77 120.40 117.18 3hm4 s VAL 48 Ca -0.10 -0.30 -0.06 0.00 -2.93 0.00 0.00 61.98 58.58 3hm4 s VAL 48 Cb -0.05 -0.46 0.05 0.00 -1.53 0.00 0.00 36.38 34.40 3hm4 s VAL 48 CO -0.03 -0.17 0.31 0.54 -3.33 0.00 0.00 175.10 172.42 3hm4 s VAL 49 N -0.65 -0.12 0.44 2.04 0.11 0.15 -1.24 120.40 121.13 3hm4 s VAL 49 Ca -0.07 0.15 -0.18 0.00 -2.93 0.00 0.00 61.98 58.95 3hm4 s VAL 49 Cb -0.04 -0.48 -0.09 0.00 -1.53 0.00 0.00 36.38 34.24 3hm4 s VAL 49 CO 0.02 0.06 0.92 -0.83 -3.33 0.00 0.00 175.10 171.94 3hm4 s GLY 50 N 1.53 2.24 0.07 6.54 0.00 -1.26 -0.99 107.32 115.45 3hm4 s GLY 50 Ca -0.08 0.24 0.05 0.00 0.00 0.00 0.00 44.72 44.93 3hm4 s GLY 50 CO -0.10 0.50 -0.14 -0.26 0.00 0.00 0.00 173.10 173.10 3hm4 s ILE 51 N -2.32 1.07 0.04 0.90 -4.36 -0.49 -1.07 121.20 114.97 3hm4 s ILE 51 Ca 0.59 -1.27 0.03 0.00 -0.26 0.00 0.00 60.65 59.74 3hm4 s ILE 51 Cb -0.10 -1.03 -0.02 0.00 1.25 0.00 0.00 42.46 42.56 3hm4 s ILE 51 CO 0.21 -0.22 -0.09 0.42 0.24 0.00 0.00 174.94 175.50 3hm4 s THR 52 N -1.25 0.64 -0.11 8.37 -4.23 -0.43 -0.92 115.64 117.71 3hm4 s THR 52 Ca -0.02 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 3hm4 s THR 52 Cb -0.10 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.06 3hm4 s THR 52 CO 0.02 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 3hm4 n GLY 53 N 1.53 -0.82 0.29 3.99 0.00 -1.26 -0.63 105.19 108.29 3hm4 n GLY 53 Ca -0.22 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.72 3hm4 n GLY 53 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3hm4 h HIS 54 N 0.00 0.19 -3.07 1.61 2.07 -1.98 -3.39 115.15 110.58 3hm4 h HIS 54 Ca 0.00 0.00 -0.46 0.00 -2.85 0.00 0.00 60.37 57.07 3hm4 h HIS 54 Cb 0.00 -0.07 -0.16 0.00 2.57 0.00 0.00 27.41 29.76 3hm4 h HIS 54 CO 0.00 0.12 -0.75 0.15 -3.07 0.00 0.00 177.93 174.38 3hm4 s LYS 55 N -5.23 1.27 0.15 5.12 1.02 -1.26 -5.06 119.74 115.75 3hm4 s LYS 55 Ca -0.06 -1.50 0.08 0.00 0.02 0.00 0.00 55.97 54.51 3hm4 s LYS 55 Cb 0.17 -1.12 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 3hm4 s LYS 55 CO 0.70 0.20 -0.11 -0.80 -0.92 0.00 0.00 175.35 174.42 3hm4 s ASN 56 N -3.06 4.24 0.00 2.83 0.01 -0.30 -4.54 114.94 114.11 3hm4 s ASN 56 Ca 0.19 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 3hm4 s ASN 56 Cb -0.02 -0.73 0.00 0.00 0.41 0.00 0.00 41.25 40.91 3hm4 s ASN 56 CO 0.06 0.14 0.00 0.61 -1.51 0.00 0.00 177.10 176.40 3hm4 n GLY 57 N 0.36 1.45 3.46 0.66 0.00 -0.09 -0.46 105.19 110.56 3hm4 n GLY 57 Ca -0.12 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.58 -0.10 1.61 0.15 -0.94 -1.40 113.70 114.44 3hm4 s SER 58 Ca 0.00 0.38 0.03 0.00 0.70 0.00 0.00 55.95 57.06 3hm4 s SER 58 Cb 0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 3hm4 s SER 58 CO 0.00 -0.74 -0.21 -0.63 1.20 0.00 0.00 173.24 172.86 3hm4 s ILE 59 N -2.25 1.84 0.19 6.45 1.01 -0.16 -1.97 121.20 126.32 3hm4 s ILE 59 Ca -0.06 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.77 3hm4 s ILE 59 Cb -0.01 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 3hm4 s ILE 59 CO 0.00 0.51 -0.12 -0.94 0.00 0.00 0.00 174.94 174.40 3hm4 s SER 60 N 0.47 2.32 -0.04 3.58 1.04 0.30 -0.68 113.70 120.69 3hm4 s SER 60 Ca -0.17 -1.04 0.01 0.00 0.48 0.00 0.00 55.95 55.23 3hm4 s SER 60 Cb -0.17 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 65.88 3hm4 s SER 60 CO 0.07 -0.25 -0.03 -0.69 0.98 0.00 0.00 173.24 173.33 3hm4 s VAL 61 N -3.10 0.37 -0.20 5.02 1.01 0.05 -0.69 120.40 122.85 3hm4 s VAL 61 Ca 0.22 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.17 3hm4 s VAL 61 Cb 0.01 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 35.99 3hm4 s VAL 61 CO 0.05 0.18 -0.17 -0.89 0.00 0.00 0.00 175.10 174.28 3hm4 s THR 62 N 0.91 2.21 -0.05 3.92 2.01 -0.31 -0.76 115.64 123.57 3hm4 s THR 62 Ca -0.11 -1.05 -0.03 0.00 0.31 0.00 0.00 61.69 60.81 3hm4 s THR 62 Cb -0.14 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 3hm4 s THR 62 CO -0.01 0.40 0.10 -0.36 -0.69 0.00 0.00 174.62 174.07 3hm4 s PHE 63 N 1.27 3.38 0.76 4.92 0.08 0.10 -1.16 117.98 127.33 3hm4 s PHE 63 Ca 0.02 0.31 -0.13 0.00 0.12 0.00 0.00 56.93 57.25 3hm4 s PHE 63 Cb -0.15 -1.81 0.06 0.00 -0.57 0.00 0.00 43.02 40.55 3hm4 s PHE 63 CO -0.10 0.60 1.14 0.95 -0.10 0.00 0.00 175.22 177.70 3hm4 s THR 64 N -1.12 2.78 0.16 0.64 -4.23 -0.78 -1.60 115.64 111.48 3hm4 s THR 64 Ca 0.20 0.31 -0.16 0.00 -1.18 0.00 0.00 61.69 60.86 3hm4 s THR 64 Cb -0.12 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 71.02 3hm4 s THR 64 CO 0.10 -0.27 1.76 0.50 -0.54 0.00 0.00 174.62 176.17 3hm4 h LYS 65 N -0.78 0.32 -0.40 3.99 3.64 -1.92 -1.15 116.57 120.26 3hm4 h LYS 65 Ca -0.45 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 58.99 3hm4 h LYS 65 Cb 1.26 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.92 3hm4 h LYS 65 CO 0.49 0.21 -0.18 1.96 -2.27 0.00 0.00 179.45 179.67 3hm4 h GLN 66 N 0.33 -0.10 -0.25 1.90 4.20 -1.93 -1.11 115.11 118.16 3hm4 h GLN 66 Ca 0.16 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 3hm4 h GLN 66 Cb 0.11 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3hm4 h GLN 66 CO -0.14 -0.06 -0.11 0.00 -0.67 0.00 0.00 178.83 177.84 3hm4 h ALA 68 N 0.73 1.12 -0.55 0.00 0.00 -0.99 -0.86 119.26 118.70 3hm4 h ALA 68 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hm4 h ALA 68 Cb 0.61 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hm4 h ALA 68 CO 0.03 0.50 0.25 0.82 0.00 0.00 0.00 179.25 180.86 3hm4 h ILE 69 N 1.18 1.21 -0.71 0.00 2.04 -1.09 -1.95 117.51 118.20 3hm4 h ILE 69 Ca 0.32 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 3hm4 h ILE 69 Cb -0.12 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 3hm4 h ILE 69 CO -0.08 0.24 0.30 0.00 0.00 0.00 0.00 178.15 178.62 3hm4 h ALA 70 N 1.09 1.18 -0.20 1.87 0.00 -0.57 -0.06 119.26 122.56 3hm4 h ALA 70 Ca 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hm4 h ALA 70 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hm4 h ALA 70 CO -0.02 0.60 0.06 0.28 0.00 0.00 0.00 179.25 180.17 3hm4 h VAL 71 N 1.03 1.19 -0.59 0.00 2.07 -1.00 0.41 116.25 119.36 3hm4 h VAL 71 Ca 0.24 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3hm4 h VAL 71 Cb 0.17 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3hm4 h VAL 71 CO -0.02 0.19 0.32 0.58 0.02 0.00 0.00 177.57 178.66 3hm4 h VAL 72 N 0.15 1.19 -0.49 2.57 2.07 -1.01 -2.80 116.25 117.93 3hm4 h VAL 72 Ca 0.06 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 3hm4 h VAL 72 Cb 0.24 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3hm4 h VAL 72 CO -0.00 0.21 -0.03 0.11 0.02 0.00 0.00 177.57 177.88 3hm4 h LYS 73 N 0.80 0.89 -0.08 1.57 1.57 -0.90 -0.90 116.57 119.52 3hm4 h LYS 73 Ca 0.21 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3hm4 h LYS 73 Cb 0.05 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3hm4 h LYS 73 CO -0.03 0.94 0.00 0.00 -0.57 0.00 0.00 179.45 179.78 3hm4 n ALA 74 N -2.45 1.41 0.00 3.86 0.00 0.13 0.16 120.51 123.62 3hm4 n ALA 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3hm4 n ALA 74 Cb 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.02 0.00 0.00 0.00 4.77 -0.34 -4.88 117.00 116.57 3hm4 n LEU 76 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hm4 n LEU 76 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3hm4 n LEU 76 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3hm4 n GLY 77 N -0.10 2.92 0.40 -0.72 0.00 0.12 -4.90 105.19 102.91 3hm4 n GLY 77 Ca 0.00 -1.72 0.19 0.00 0.00 0.00 0.00 46.02 44.49 3hm4 n GLY 77 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hm4 h ASP 78 N 0.00 0.36 -3.59 1.61 3.32 -1.90 -3.37 116.42 112.85 3hm4 h ASP 78 Ca 0.00 0.03 -0.62 0.00 0.02 0.00 0.00 57.03 56.46 3hm4 h ASP 78 Cb 0.00 -0.04 -0.13 0.00 0.22 0.00 0.00 39.33 39.39 3hm4 h ASP 78 CO 0.00 0.16 0.33 1.51 -1.72 0.00 0.00 179.24 179.51 3hm4 s ASP 79 N -5.75 6.45 -0.31 6.45 1.47 -1.26 -4.96 116.67 118.76 3hm4 s ASP 79 Ca -0.08 0.04 -0.20 0.00 1.18 0.00 0.00 52.55 53.49 3hm4 s ASP 79 Cb 0.22 -2.38 -0.01 0.00 -0.34 0.00 0.00 42.92 40.41 3hm4 s ASP 79 CO 0.78 -0.82 0.64 -0.63 0.68 0.00 0.00 175.17 175.81 3hm4 s ILE 80 N 3.14 4.92 0.06 2.11 1.01 -1.26 -4.98 121.20 126.21 3hm4 s ILE 80 Ca 0.29 0.83 -0.25 0.00 0.00 0.00 0.00 60.65 61.53 3hm4 s ILE 80 Cb -0.13 -4.02 -0.17 0.00 0.01 0.00 0.00 42.46 38.16 3hm4 s ILE 80 CO 0.20 -0.17 1.58 -0.61 0.00 0.00 0.00 174.94 175.94 3hm4 h GLN 81 N 8.22 -0.10 -1.42 2.79 4.15 -1.94 -3.42 115.11 123.39 3hm4 h GLN 81 Ca -0.27 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.10 3hm4 h GLN 81 Cb 1.12 0.02 -0.25 0.00 0.21 0.00 0.00 27.48 28.58 3hm4 h GLN 81 CO 0.81 0.06 -0.42 0.34 -1.93 0.00 0.00 178.83 177.69 3hm4 s ASP 82 N -5.23 -0.54 0.27 -0.69 -1.08 -1.26 -5.06 116.67 103.08 3hm4 s ASP 82 Ca -0.14 0.21 -0.01 0.00 -0.52 0.00 0.00 52.55 52.09 3hm4 s ASP 82 Cb 0.04 1.58 0.47 0.00 -1.46 0.00 0.00 42.92 43.56 3hm4 s ASP 82 CO 0.65 -0.30 1.86 -0.29 0.52 0.00 0.00 175.17 177.60 3hm4 h ILE 83 N 6.09 1.00 0.26 4.11 6.09 -1.98 0.18 117.51 133.26 3hm4 h ILE 83 Ca -0.13 -0.37 -0.01 0.00 -1.37 0.00 0.00 64.86 62.98 3hm4 h ILE 83 Cb 1.15 -0.16 0.00 0.00 0.47 0.00 0.00 36.82 38.29 3hm4 h ILE 83 CO 0.24 0.19 -0.13 0.40 -3.07 0.00 0.00 178.15 175.79 3hm4 h ILE 84 N 1.07 0.78 -0.58 2.19 1.08 -1.99 -1.02 117.51 119.04 3hm4 h ILE 84 Ca 0.46 -0.62 -0.03 0.00 -0.39 0.00 0.00 64.86 64.28 3hm4 h ILE 84 Cb 0.33 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 35.16 3hm4 h ILE 84 CO -0.22 0.13 0.23 -0.61 -0.69 0.00 0.00 178.15 176.99 3hm4 h GLN 85 N -0.69 0.87 -0.18 2.37 5.75 -1.96 -1.62 115.11 119.66 3hm4 h GLN 85 Ca -0.04 -0.16 -0.15 0.00 -0.15 0.00 0.00 58.65 58.16 3hm4 h GLN 85 Cb 0.48 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 3hm4 h GLN 85 CO 0.06 0.75 -0.52 -0.44 -2.65 0.00 0.00 178.83 176.03 3hm4 h ASP 86 N 0.80 0.55 -0.15 -0.69 3.32 -1.00 -0.51 116.42 118.74 3hm4 h ASP 86 Ca 0.19 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3hm4 h ASP 86 Cb 0.20 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3hm4 h ASP 86 CO -0.02 0.97 0.05 0.74 -1.72 0.00 0.00 179.24 179.27 3hm4 h THR 87 N 0.39 1.17 -0.14 0.35 2.02 -1.06 0.73 112.91 116.37 3hm4 h THR 87 Ca 0.01 -0.52 0.04 0.00 0.77 0.00 0.00 66.41 66.71 3hm4 h THR 87 Cb 1.04 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.64 3hm4 h THR 87 CO 0.09 0.16 -0.15 0.50 0.37 0.00 0.00 175.52 176.50 3hm4 h LYS 88 N 0.07 -0.17 -0.16 6.66 3.64 -1.15 -0.63 116.57 124.83 3hm4 h LYS 88 Ca 0.05 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3hm4 h LYS 88 Cb 0.20 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3hm4 h LYS 88 CO -0.00 -0.11 0.01 -0.44 -2.27 0.00 0.00 179.45 176.63 3hm4 h ASP 89 N -0.17 0.27 0.02 4.20 3.32 -1.00 -0.17 116.42 122.88 3hm4 h ASP 89 Ca 0.10 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3hm4 h ASP 89 Cb 0.31 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3hm4 h ASP 89 CO -0.24 0.50 -0.01 0.00 -1.72 0.00 0.00 179.24 177.77 3hm4 h ALA 90 N 0.78 -0.02 -0.22 3.45 0.00 -0.80 -1.51 119.26 120.93 3hm4 h ALA 90 Ca 0.05 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 3hm4 h ALA 90 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hm4 h ALA 90 CO 0.01 -0.23 -0.38 0.28 0.00 0.00 0.00 179.25 178.93 3hm4 h VAL 91 N -0.59 1.30 -0.77 0.00 2.07 -1.22 -1.34 116.25 115.70 3hm4 h VAL 91 Ca -0.00 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 3hm4 h VAL 91 Cb 0.56 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 3hm4 h VAL 91 CO 0.00 0.48 0.43 1.23 0.02 0.00 0.00 177.57 179.73 3hm4 h GLY 92 N 1.08 1.15 0.90 2.17 0.00 -1.02 -0.55 103.07 106.79 3hm4 h GLY 92 Ca 0.04 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 3hm4 h GLY 92 CO 0.07 0.49 -0.11 -2.09 0.00 0.00 0.00 176.54 174.90 3hm4 h GLU 93 N 1.07 0.59 -0.71 4.80 4.57 -0.97 -1.09 114.58 122.84 3hm4 h GLU 93 Ca 0.27 -0.25 0.13 0.00 -1.18 0.00 0.00 59.36 58.34 3hm4 h GLU 93 Cb 0.02 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.49 3hm4 h GLU 93 CO -0.05 0.81 0.25 0.28 -1.18 0.00 0.00 179.01 179.12 3hm4 h VAL 94 N 0.34 0.65 -0.44 0.32 2.07 -1.06 -2.66 116.25 115.47 3hm4 h VAL 94 Ca 0.07 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 67.32 3hm4 h VAL 94 Cb 0.62 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3hm4 h VAL 94 CO 0.04 0.07 -0.25 0.74 0.02 0.00 0.00 177.57 178.19 3hm4 h THR 95 N 0.38 1.27 0.00 2.57 2.02 -0.82 0.10 112.91 118.44 3hm4 h THR 95 Ca 0.38 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 66.16 3hm4 h THR 95 Cb 0.58 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3hm4 h THR 95 CO -0.41 0.48 0.00 0.59 0.37 0.00 0.00 175.52 176.55 3hm4 n ASN 96 N -4.14 0.00 0.00 4.18 3.02 -0.44 -1.06 115.26 116.82 3hm4 n ASN 96 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 3hm4 n ASN 96 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 0.64 0.00 -0.05 2.41 5.41 0.02 -1.18 119.36 126.62 3hm4 n ILE 98 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 3hm4 n ILE 98 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 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 -0.02 -0.52 4.38 0.87 -1.35 0.36 113.55 117.27 3hm4 h SER 99 Ca 0.00 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3hm4 h SER 99 Cb 0.00 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3hm4 h SER 99 CO 0.00 0.02 0.28 1.23 -0.53 0.00 0.00 176.83 177.83 3hm4 h GLY 100 N 0.11 0.78 1.15 5.77 0.00 -1.40 -1.06 103.07 108.42 3hm4 h GLY 100 Ca 0.10 -0.35 -0.20 0.00 0.00 0.00 0.00 47.33 46.89 3hm4 h GLY 100 CO -0.15 0.34 -0.60 1.46 0.00 0.00 0.00 176.54 177.58 3hm4 h GLN 101 N 0.69 0.86 -0.41 4.80 4.20 -1.78 -0.52 115.11 122.95 3hm4 h GLN 101 Ca 0.18 -0.58 -0.06 0.00 0.06 0.00 0.00 58.65 58.25 3hm4 h GLN 101 Cb 0.05 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3hm4 h GLN 101 CO -0.03 1.21 0.02 0.00 -0.67 0.00 0.00 178.83 179.36 3hm4 h ALA 102 N 0.65 0.55 -0.16 3.87 0.00 -0.87 -1.69 119.26 121.60 3hm4 h ALA 102 Ca -0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3hm4 h ALA 102 Cb 1.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3hm4 h ALA 102 CO 0.13 0.32 -0.38 0.00 0.00 0.00 0.00 179.25 179.32 3hm4 h ARG 103 N 0.55 0.36 -0.52 0.00 3.08 -1.15 -0.15 114.38 116.55 3hm4 h ARG 103 Ca 0.12 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3hm4 h ARG 103 Cb 0.46 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3hm4 h ARG 103 CO 0.02 0.69 0.23 0.00 -1.07 0.00 0.00 179.97 179.83 3hm4 h ALA 104 N 1.30 0.67 -0.60 0.04 0.00 -0.89 0.25 119.26 120.04 3hm4 h ALA 104 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3hm4 h ALA 104 Cb 0.80 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3hm4 h ALA 104 CO 0.06 0.26 0.29 0.00 0.00 0.00 0.00 179.25 179.86 3hm4 h ALA 105 N 1.07 0.77 -0.70 0.00 0.00 -0.97 -2.12 119.26 117.32 3hm4 h ALA 105 Ca 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3hm4 h ALA 105 Cb 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3hm4 h ALA 105 CO -0.02 0.34 0.25 -0.07 0.00 0.00 0.00 179.25 179.75 3hm4 h LEU 106 N 0.82 0.97 -1.25 0.00 3.38 -0.80 -2.59 115.31 115.85 3hm4 h LEU 106 Ca 0.21 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3hm4 h LEU 106 Cb 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hm4 h LEU 106 CO -0.03 0.89 0.07 0.77 0.09 0.00 0.00 178.44 180.23 3hm4 h SER 107 N 1.02 0.54 0.00 -0.43 4.64 -0.56 -2.85 113.55 115.92 3hm4 h SER 107 Ca 0.23 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 3hm4 h SER 107 Cb 0.24 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3hm4 h SER 107 CO -0.01 0.56 0.02 -0.62 -0.87 0.00 0.00 176.83 175.91 3hm4 n GLU 108 N -4.31 0.51 -3.36 4.77 1.02 -0.83 -4.81 120.64 113.63 3hm4 n GLU 108 Ca 0.02 -0.08 -0.26 0.00 -0.02 0.00 0.00 57.16 56.82 3hm4 n GLU 108 Cb 0.21 -1.36 -0.08 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.97 3.71 3.57 0.62 0.00 -1.07 -5.12 105.19 108.87 3hm4 n GLY 110 Ca 0.03 -2.14 -0.02 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.64 -0.25 0.00 2.61 2.01 -1.26 -5.15 115.64 111.96 3hm4 s THR 112 Ca 0.36 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.42 3hm4 s THR 112 Cb 0.13 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 3hm4 s THR 112 CO -0.08 0.00 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.31 3hm4 s PHE 113 N 1.87 1.58 0.31 4.92 0.40 -1.26 -4.35 117.98 121.46 3hm4 s PHE 113 Ca -0.07 -0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 55.92 3hm4 s PHE 113 Cb -0.05 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.43 3hm4 s PHE 113 CO -0.17 -0.00 0.55 -0.65 0.70 0.00 0.00 175.22 175.66 3hm4 s GLN 114 N -0.61 3.57 -0.06 0.44 -1.52 0.20 -4.91 119.66 116.77 3hm4 s GLN 114 Ca 0.06 -0.12 0.05 0.00 -1.95 0.00 0.00 55.36 53.41 3hm4 s GLN 114 Cb -0.07 -2.65 -0.01 0.00 -0.22 0.00 0.00 33.01 30.06 3hm4 s GLN 114 CO -0.00 0.18 -0.23 0.20 -0.25 0.00 0.00 175.29 175.19 3hm4 s GLY 115 N -3.51 1.21 0.81 3.09 0.00 -1.26 -1.31 107.32 106.35 3hm4 s GLY 115 Ca 0.42 -0.93 -0.13 0.00 0.00 0.00 0.00 44.72 44.08 3hm4 s GLY 115 CO 0.33 -0.48 1.11 0.00 0.00 0.00 0.00 173.10 174.06 3hm4 n ALA 116 N 3.16 -1.19 -2.00 3.20 0.00 -0.24 -5.02 120.51 118.43 3hm4 n ALA 116 Ca -0.18 -1.49 -0.40 0.00 0.00 0.00 0.00 53.44 51.38 3hm4 n ALA 116 Cb 0.52 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 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 -3.40 4.37 0.81 0.00 -4.23 -1.26 -4.73 115.64 107.19 3hm4 s THR 117 Ca 0.63 1.74 -0.11 0.00 -1.18 0.00 0.00 61.69 62.77 3hm4 s THR 117 Cb -0.02 -4.16 0.08 0.00 1.34 0.00 0.00 72.50 69.74 3hm4 s THR 117 CO 0.44 0.50 1.09 -2.84 -0.54 0.00 0.00 174.62 173.28 3hm4 s PRO 118 N -1.04 2.00 0.06 3.99 0.02 -1.26 -4.63 135.00 134.14 3hm4 s PRO 118 Ca 0.37 0.80 0.06 0.00 0.02 0.00 0.00 61.00 62.25 3hm4 s PRO 118 Cb -0.23 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 3hm4 s PRO 118 CO 0.27 -1.72 -0.17 -1.12 -0.33 0.00 0.00 177.00 173.93 3hm4 s SER 119 N -3.69 2.02 -0.12 2.53 0.01 -0.38 -4.99 113.70 109.09 3hm4 s SER 119 Ca 0.61 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 57.33 3hm4 s SER 119 Cb -0.16 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 3hm4 s SER 119 CO 0.55 0.04 -0.17 -0.69 0.41 0.00 0.00 173.24 173.38 3hm4 s VAL 120 N -1.00 2.69 0.47 3.43 1.01 -1.26 -1.21 120.40 124.52 3hm4 s VAL 120 Ca 0.03 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3hm4 s VAL 120 Cb -0.09 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3hm4 s VAL 120 CO 0.02 0.54 0.27 -0.63 0.00 0.00 0.00 175.10 175.30 3hm4 s ILE 121 N 0.37 2.00 0.00 2.22 1.09 0.11 -4.99 121.20 122.01 3hm4 s ILE 121 Ca -0.13 -1.60 0.00 0.00 -1.10 0.00 0.00 60.65 57.81 3hm4 s ILE 121 Cb -0.17 -2.60 0.00 0.00 -1.06 0.00 0.00 42.46 38.63 3hm4 s ILE 121 CO 0.06 0.00 0.00 0.61 -0.10 0.00 0.00 174.94 175.51 3hm4 n GLY 123 N -1.48 1.55 3.72 6.18 0.00 -0.99 -1.09 105.19 113.07 3hm4 n GLY 123 Ca -0.02 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.02 6.44 -1.12 1.61 1.11 -1.26 -2.37 116.67 121.05 3hm4 s ASP 124 Ca 0.00 2.79 0.00 0.00 0.18 0.00 0.00 52.55 55.52 3hm4 s ASP 124 Cb 0.00 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.40 3hm4 s ASP 124 CO 0.00 -0.94 0.00 0.61 1.18 0.00 0.00 175.17 176.02 3hm4 n GLY 125 N 3.95 1.12 3.63 0.21 0.00 -0.62 -4.97 105.19 108.51 3hm4 n GLY 125 Ca 0.16 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.41 1.81 0.12 1.61 -3.43 -0.63 -4.65 115.29 107.70 3hm4 s HIS 126 Ca 0.00 1.40 0.10 0.00 -0.80 0.00 0.00 55.06 55.75 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 -2.98 -0.23 0.95 -2.00 0.00 0.00 174.74 170.47 3hm4 s THR 127 N -2.70 1.97 -0.04 -5.38 -4.23 -1.26 -1.41 115.64 102.60 3hm4 s THR 127 Ca 0.66 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.53 3hm4 s THR 127 Cb -0.22 -1.78 -0.00 0.00 1.34 0.00 0.00 72.50 71.84 3hm4 s THR 127 CO 0.60 -0.01 -0.14 -0.51 -0.54 0.00 0.00 174.62 174.01 3hm4 s ILE 128 N -1.19 1.22 -0.07 2.99 2.07 -0.32 -4.95 121.20 120.95 3hm4 s ILE 128 Ca 0.11 -0.60 0.01 0.00 -1.41 0.00 0.00 60.65 58.76 3hm4 s ILE 128 Cb -0.10 -1.06 0.02 0.00 0.13 0.00 0.00 42.46 41.46 3hm4 s ILE 128 CO 0.05 0.36 -0.08 -0.44 -1.91 0.00 0.00 174.94 172.92 3hm4 s SER 129 N 0.12 1.52 0.04 4.50 0.01 -1.26 -1.10 113.70 117.52 3hm4 s SER 129 Ca -0.04 -0.22 -0.30 0.00 1.31 0.00 0.00 55.95 56.70 3hm4 s SER 129 Cb -0.11 -0.66 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 3hm4 s SER 129 CO 0.02 -0.04 1.00 -1.00 0.41 0.00 0.00 173.24 173.63 3hm4 s HIS 130 N 1.00 3.68 -0.53 2.43 3.76 -1.26 -5.01 115.29 119.36 3hm4 s HIS 130 Ca -0.09 1.69 -0.16 0.00 -0.15 0.00 0.00 55.06 56.36 3hm4 s HIS 130 Cb -0.15 -3.13 0.12 0.00 1.11 0.00 0.00 32.58 30.53 3hm4 s HIS 130 CO -0.00 -0.07 0.48 0.08 -0.85 0.00 0.00 174.74 174.38 3hm4 s VAL 131 N 0.71 5.17 -0.03 -0.90 1.01 -1.26 -5.00 120.40 120.10 3hm4 s VAL 131 Ca 0.51 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 3hm4 s VAL 131 Cb -0.22 -4.28 0.07 0.00 0.00 0.00 0.00 36.38 31.95 3hm4 s VAL 131 CO 0.29 -0.82 0.69 0.28 0.00 0.00 0.00 175.10 175.54 3hm4 s THR 132 N 1.60 0.00 -0.34 3.92 -1.32 -1.26 -5.02 115.64 113.22 3hm4 s THR 132 Ca 0.03 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.78 3hm4 s THR 132 Cb -0.29 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.02 3hm4 s THR 132 CO 0.03 0.00 1.79 0.07 -2.21 0.00 0.00 174.62 174.30 3hm4 h LYS 133 N 2.85 0.00 -6.80 7.08 -0.00 -1.95 -3.47 116.57 114.28 3hm4 h LYS 133 Ca -0.27 0.00 -0.44 0.00 -0.00 0.00 0.00 60.65 59.93 3hm4 h LYS 133 Cb 1.16 0.00 0.04 0.00 -0.00 0.00 0.00 32.23 33.43 3hm4 h LYS 133 CO 0.38 0.00 -0.05 -1.12 -0.00 0.00 0.00 179.45 178.66 3hm4 s SER 134 N -5.17 5.45 0.69 7.07 0.01 -1.26 -5.08 113.70 115.41 3hm4 s SER 134 Ca 0.05 0.09 -0.14 0.00 1.31 0.00 0.00 55.95 57.26 3hm4 s SER 134 Cb 0.09 -1.09 0.02 0.00 0.21 0.00 0.00 66.02 65.24 3hm4 s SER 134 CO 0.54 -1.00 1.12 -2.84 0.41 0.00 0.00 173.24 171.47 3hm4 s PRO 135 N -4.70 2.59 -0.17 12.44 0.02 -1.26 -5.00 135.00 138.92 3hm4 s PRO 135 Ca 0.54 1.42 -0.06 0.00 0.02 0.00 0.00 61.00 62.93 3hm4 s PRO 135 Cb -0.10 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 3hm4 s PRO 135 CO 0.38 -1.42 0.02 0.08 -0.33 0.00 0.00 177.00 175.73 3hm4 s VAL 136 N -2.37 4.39 -0.19 3.83 1.01 -1.26 -4.58 120.40 121.23 3hm4 s VAL 136 Ca 0.67 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.39 3hm4 s VAL 136 Cb -0.21 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 3hm4 s VAL 136 CO 0.44 0.48 0.10 -0.63 0.00 0.00 0.00 175.10 175.49 3hm4 s ILE 137 N 0.32 5.12 0.01 2.22 -1.09 -0.27 -0.76 121.20 126.75 3hm4 s ILE 137 Ca 0.00 0.08 0.08 0.00 -2.23 0.00 0.00 60.65 58.58 3hm4 s ILE 137 Cb -0.13 -3.31 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 3hm4 s ILE 137 CO 0.01 0.46 -0.24 0.00 -1.23 0.00 0.00 174.94 173.94 3hm4 s ALA 138 N 0.27 2.28 -0.19 9.38 0.00 0.19 -0.88 121.76 132.80 3hm4 s ALA 138 Ca 0.06 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3hm4 s ALA 138 Cb -0.12 -0.57 0.05 0.00 0.00 0.00 0.00 23.12 22.48 3hm4 s ALA 138 CO -0.01 0.54 -0.03 0.42 0.00 0.00 0.00 175.76 176.68 3hm4 s ILE 139 N -0.73 1.10 0.42 0.00 1.09 0.57 -0.67 121.20 122.97 3hm4 s ILE 139 Ca 0.11 -0.80 -0.17 0.00 -1.10 0.00 0.00 60.65 58.69 3hm4 s ILE 139 Cb -0.10 -1.38 -0.09 0.00 -1.06 0.00 0.00 42.46 39.83 3hm4 s ILE 139 CO 0.01 -0.03 0.88 -2.16 -0.10 0.00 0.00 174.94 173.54 3hm4 s PRO 140 N 1.61 4.04 0.02 2.79 0.04 -1.26 -1.66 135.00 140.58 3hm4 s PRO 140 Ca -0.02 0.88 0.04 0.00 0.04 0.00 0.00 61.00 61.94 3hm4 s PRO 140 Cb -0.17 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 3hm4 s PRO 140 CO -0.07 -0.04 -0.11 -0.06 0.04 0.00 0.00 177.00 176.75 3hm4 s PHE 141 N -2.27 0.99 0.11 0.56 0.40 0.25 -0.16 117.98 117.86 3hm4 s PHE 141 Ca 0.58 -0.28 -0.00 0.00 -0.60 0.00 0.00 56.93 56.62 3hm4 s PHE 141 Cb -0.10 -0.61 -0.04 0.00 0.51 0.00 0.00 43.02 42.78 3hm4 s PHE 141 CO 0.21 -0.00 0.28 0.15 0.70 0.00 0.00 175.22 176.55 3hm4 s LYS 142 N -0.78 3.48 0.34 0.44 1.02 -0.68 -2.84 119.74 120.72 3hm4 s LYS 142 Ca 0.01 -0.40 0.05 0.00 0.02 0.00 0.00 55.97 55.65 3hm4 s LYS 142 Cb -0.06 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 34.26 3hm4 s LYS 142 CO 0.00 0.54 0.33 0.95 -0.92 0.00 0.00 175.35 176.26 3hm4 s THR 143 N -1.63 0.00 -0.47 2.17 -4.23 -1.12 -0.46 115.64 109.90 3hm4 s THR 143 Ca 0.36 -1.91 0.23 0.00 -1.18 0.00 0.00 61.69 59.20 3hm4 s THR 143 Cb -0.12 -2.54 0.24 0.00 1.34 0.00 0.00 72.50 71.42 3hm4 s THR 143 CO 0.28 0.00 1.70 0.59 -0.54 0.00 0.00 174.62 176.65 3hm4 n ASN 144 N -1.58 0.65 -2.70 3.99 3.02 0.30 -3.72 115.26 115.21 3hm4 n ASN 144 Ca 0.06 0.67 -0.13 0.00 -0.03 0.00 0.00 54.58 55.15 3hm4 n ASN 144 Cb 0.62 -0.80 0.02 0.00 -0.61 0.00 0.00 39.78 39.00 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 -2.23 1.45 -0.13 3.10 8.25 -1.26 -5.12 115.22 119.29 3hm4 n HIS 145 Ca 0.02 -2.99 0.00 0.00 -0.26 0.00 0.00 57.72 54.49 3hm4 n HIS 145 Cb 0.21 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 -0.09 -3.55 3.79 -1.41 0.00 -1.24 -2.23 105.19 100.45 3hm4 n GLY 146 Ca 0.16 -1.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.89 2.72 0.21 1.61 2.02 -1.26 -2.78 118.70 120.32 3hm4 s GLU 147 Ca 0.00 -1.22 -0.11 0.00 0.02 0.00 0.00 54.97 53.66 3hm4 s GLU 147 Cb 0.00 -2.44 -0.00 0.00 0.10 0.00 0.00 34.13 31.79 3hm4 s GLU 147 CO 0.00 0.30 0.39 -0.59 0.02 0.00 0.00 175.26 175.38 3hm4 s PHE 148 N -2.23 0.36 -0.02 1.61 -0.12 -1.13 -1.87 117.98 114.58 3hm4 s PHE 148 Ca 0.35 -0.71 0.02 0.00 -0.05 0.00 0.00 56.93 56.54 3hm4 s PHE 148 Cb -0.07 0.08 0.00 0.00 -0.63 0.00 0.00 43.02 42.41 3hm4 s PHE 148 CO 0.24 -0.86 -0.06 0.99 -0.05 0.00 0.00 175.22 175.48 3hm4 s THR 149 N -3.99 0.54 -0.12 -4.49 2.01 -0.31 -0.59 115.64 108.70 3hm4 s THR 149 Ca 0.20 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.91 3hm4 s THR 149 Cb 0.01 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 3hm4 s THR 149 CO 0.04 0.18 0.09 0.54 -0.69 0.00 0.00 174.62 174.79 3hm4 s VAL 150 N 0.22 5.11 0.07 3.82 0.11 -0.67 -1.16 120.40 127.90 3hm4 s VAL 150 Ca -0.03 0.06 0.06 0.00 -2.93 0.00 0.00 61.98 59.14 3hm4 s VAL 150 Cb -0.07 -3.22 -0.03 0.00 -1.53 0.00 0.00 36.38 31.53 3hm4 s VAL 150 CO -0.00 0.60 -0.16 -1.61 -3.33 0.00 0.00 175.10 170.60 3hm4 s GLU 151 N -0.83 0.93 0.10 1.54 2.02 0.13 -0.32 118.70 122.28 3hm4 s GLU 151 Ca 0.13 -0.95 -0.09 0.00 0.02 0.00 0.00 54.97 54.07 3hm4 s GLU 151 Cb -0.12 -1.00 0.00 0.00 0.10 0.00 0.00 34.13 33.12 3hm4 s GLU 151 CO 0.03 0.23 0.22 -0.59 0.02 0.00 0.00 175.26 175.17 3hm4 s PHE 152 N -1.14 0.13 0.07 1.61 -0.71 -0.06 -0.54 117.98 117.33 3hm4 s PHE 152 Ca 0.01 -0.54 -0.12 0.00 -1.04 0.00 0.00 56.93 55.24 3hm4 s PHE 152 Cb -0.09 -0.03 0.01 0.00 -1.21 0.00 0.00 43.02 41.70 3hm4 s PHE 152 CO 0.02 -0.57 0.26 0.00 -1.34 0.00 0.00 175.22 173.59 3hm4 s LEU 154 N -2.39 1.29 0.00 0.00 1.43 -1.26 -2.21 118.68 115.54 3hm4 s LEU 154 Ca -0.01 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 3hm4 s LEU 154 Cb 0.01 0.36 0.00 0.00 0.03 0.00 0.00 46.19 46.59 3hm4 s LEU 154 CO -0.07 -0.08 0.01 -1.84 0.23 0.00 0.00 176.35 174.61