#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4x n ASP 3 N 0.40 -2.60 0.11 0.00 -0.08 -1.26 -4.95 116.55 108.16 3g4x n ASP 3 Ca 0.08 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.23 3g4x n ASP 3 Cb 0.37 -0.43 -0.06 0.00 2.34 0.00 0.00 41.12 43.33 3g4x n ASP 3 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3g4x h LEU 4 N 0.00 -0.91 -9.93 -2.67 5.85 -2.02 -3.45 115.31 102.18 3g4x h LEU 4 Ca 0.00 0.11 -0.48 0.00 0.84 0.00 0.00 57.88 58.35 3g4x h LEU 4 Cb 0.00 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3g4x h LEU 4 CO 0.00 -0.40 0.27 -2.16 -0.34 0.00 0.00 178.44 175.81 3g4x s PRO 5 N -6.01 4.38 0.08 5.25 0.05 -1.26 -5.12 135.00 132.38 3g4x s PRO 5 Ca -0.16 1.12 0.23 0.00 0.05 0.00 0.00 61.00 62.24 3g4x s PRO 5 Cb 0.08 -2.65 -0.06 0.00 0.05 0.00 0.00 34.50 31.92 3g4x s PRO 5 CO 0.65 0.23 0.90 0.00 0.05 0.00 0.00 177.00 178.82 3g4x n GLY 7 N 1.28 0.50 3.55 0.00 0.00 -1.26 -4.93 105.19 104.33 3g4x n GLY 7 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3g4x n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g4x s VAL 8 N -2.49 5.10 0.08 1.61 0.11 -1.26 -4.90 120.40 118.65 3g4x s VAL 8 Ca 0.00 0.14 0.04 0.00 -2.93 0.00 0.00 61.98 59.23 3g4x s VAL 8 Cb 0.00 -3.89 -0.03 0.00 -1.53 0.00 0.00 36.38 30.93 3g4x s VAL 8 CO 0.00 -0.16 -0.12 -0.36 -3.33 0.00 0.00 175.10 171.13 3g4x s PHE 9 N 2.17 1.11 -0.30 1.54 0.40 -1.26 -2.32 117.98 119.33 3g4x s PHE 9 Ca 0.14 -0.53 -0.10 0.00 -0.60 0.00 0.00 56.93 55.84 3g4x s PHE 9 Cb -0.16 -0.62 0.14 0.00 0.51 0.00 0.00 43.02 42.89 3g4x s PHE 9 CO 0.12 0.03 0.67 0.34 0.70 0.00 0.00 175.22 177.08 3g4x s ASP 10 N -2.01 -1.13 0.00 1.36 -1.08 -1.26 -5.01 116.67 107.54 3g4x s ASP 10 Ca 0.00 1.49 0.00 0.00 -0.52 0.00 0.00 52.55 53.52 3g4x s ASP 10 Cb -0.07 2.26 0.00 0.00 -1.46 0.00 0.00 42.92 43.65 3g4x s ASP 10 CO 0.01 -0.22 0.83 -2.65 0.52 0.00 0.00 175.17 173.67 3g4x n PRO 11 N 5.42 0.00 0.15 4.34 -0.02 -1.26 -1.64 135.00 141.99 3g4x n PRO 11 Ca -0.11 0.34 0.18 0.00 -2.02 0.00 0.00 63.50 61.88 3g4x n PRO 11 Cb 0.49 -1.51 0.78 0.00 -0.02 0.00 0.00 33.50 33.24 3g4x n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g4x h ALA 12 N 1.93 2.00 0.00 3.55 0.00 -1.98 -0.37 119.26 124.39 3g4x h ALA 12 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g4x h ALA 12 Cb 0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3g4x h ALA 12 CO 0.00 -0.41 -0.00 1.96 0.00 0.00 0.00 179.25 180.80 3g4x h GLN 13 N 0.00 -0.00 -0.07 0.00 4.20 -1.74 -0.50 115.11 117.00 3g4x h GLN 13 Ca 0.13 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.87 3g4x h GLN 13 Cb 0.66 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 3g4x h GLN 13 CO -0.00 0.40 -0.10 0.00 -0.67 0.00 0.00 178.83 178.46 3g4x h ALA 14 N 0.60 -0.06 -0.39 3.87 0.00 -1.71 -3.10 119.26 118.47 3g4x h ALA 14 Ca -0.00 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3g4x h ALA 14 Cb 0.40 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 3g4x h ALA 14 CO 0.00 -0.57 -0.17 -0.09 0.00 0.00 0.00 179.25 178.42 3g4x h ARG 15 N -0.14 -0.09 -0.32 0.00 2.43 -0.99 -0.83 114.38 114.43 3g4x h ARG 15 Ca 0.06 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 3g4x h ARG 15 Cb 0.23 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3g4x h ARG 15 CO -0.15 -0.06 -0.12 0.82 -1.51 0.00 0.00 179.97 178.94 3g4x h ILE 16 N -0.09 1.24 -0.41 1.20 2.04 -1.10 0.17 117.51 120.56 3g4x h ILE 16 Ca 0.19 -1.06 -0.13 0.00 1.00 0.00 0.00 64.86 64.85 3g4x h ILE 16 Cb 0.39 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3g4x h ILE 16 CO -0.45 0.35 -0.27 -0.33 0.00 0.00 0.00 178.15 177.45 3g4x h GLU 17 N 0.51 0.90 -0.14 2.37 4.39 -1.41 -1.32 114.58 119.88 3g4x h GLU 17 Ca 0.09 -0.43 -0.13 0.00 0.34 0.00 0.00 59.36 59.24 3g4x h GLU 17 Cb 0.52 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3g4x h GLU 17 CO 0.03 1.08 -0.46 0.00 -1.16 0.00 0.00 179.01 178.50 3g4x h ALA 18 N 0.80 0.95 -0.77 3.43 0.00 -0.66 -1.72 119.26 121.30 3g4x h ALA 18 Ca 0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3g4x h ALA 18 Cb 0.85 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3g4x h ALA 18 CO 0.07 0.64 0.46 0.93 0.00 0.00 0.00 179.25 181.36 3g4x h GLU 19 N 0.28 1.04 -0.60 0.00 5.08 -0.50 -1.59 114.58 118.29 3g4x h GLU 19 Ca 0.02 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 3g4x h GLU 19 Cb 0.92 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3g4x h GLU 19 CO 0.08 0.73 0.08 0.77 -1.00 0.00 0.00 179.01 179.67 3g4x h SER 20 N 1.06 0.93 0.09 1.42 0.02 -0.76 -0.71 113.55 115.60 3g4x h SER 20 Ca 0.28 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3g4x h SER 20 Cb -0.04 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3g4x h SER 20 CO -0.05 0.94 -0.16 0.58 -1.14 0.00 0.00 176.83 177.00 3g4x h VAL 21 N 0.92 0.62 -1.00 2.27 2.07 -0.83 -1.25 116.25 119.06 3g4x h VAL 21 Ca 0.18 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.72 3g4x h VAL 21 Cb 0.42 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3g4x h VAL 21 CO 0.01 0.00 0.66 0.50 0.02 0.00 0.00 177.57 178.76 3g4x h LYS 22 N -0.32 1.29 -0.56 1.57 3.64 -1.14 -1.36 116.57 119.68 3g4x h LYS 22 Ca 0.02 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 3g4x h LYS 22 Cb 0.34 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3g4x h LYS 22 CO -0.09 0.85 0.12 0.00 -2.27 0.00 0.00 179.45 178.06 3g4x h ALA 23 N 1.39 1.15 -0.23 5.00 0.00 -0.94 -0.58 119.26 125.05 3g4x h ALA 23 Ca 0.37 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 3g4x h ALA 23 Cb -0.12 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.45 3g4x h ALA 23 CO -0.09 0.57 -0.66 0.28 0.00 0.00 0.00 179.25 179.35 3g4x h VAL 24 N 0.84 1.27 -0.20 0.00 2.07 -0.80 -1.94 116.25 117.49 3g4x h VAL 24 Ca 0.18 -1.85 0.02 0.00 0.82 0.00 0.00 66.70 65.88 3g4x h VAL 24 Cb 0.33 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3g4x h VAL 24 CO 0.00 0.60 0.06 1.56 0.02 0.00 0.00 177.57 179.81 3g4x h GLN 25 N 0.62 0.14 -0.42 1.57 4.20 -0.91 0.12 115.11 120.43 3g4x h GLN 25 Ca -0.02 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.75 3g4x h GLN 25 Cb 1.28 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.97 3g4x h GLN 25 CO 0.14 0.09 0.08 0.93 -0.67 0.00 0.00 178.83 179.40 3g4x h GLU 26 N 0.15 0.20 -0.22 1.46 5.08 -0.94 -1.98 114.58 118.33 3g4x h GLU 26 Ca 0.09 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3g4x h GLU 26 Cb 0.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3g4x h GLU 26 CO -0.10 0.13 -0.19 0.87 -1.00 0.00 0.00 179.01 178.72 3g4x h LYS 27 N 0.20 0.38 -0.25 2.33 1.57 -0.97 -2.56 116.57 117.27 3g4x h LYS 27 Ca 0.21 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3g4x h LYS 27 Cb 0.26 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3g4x h LYS 27 CO -0.28 0.56 0.17 0.52 -0.57 0.00 0.00 179.45 179.84 3g4x h MET 28 N 0.35 0.31 0.00 3.15 2.86 -0.21 -1.71 114.93 119.68 3g4x h MET 28 Ca 0.06 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3g4x h MET 28 Cb 0.53 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 3g4x h MET 28 CO 0.03 0.21 -0.05 0.00 1.06 0.00 0.00 176.91 178.16 3g4x h ALA 29 N 1.85 1.06 0.00 6.32 0.00 -1.17 -3.25 119.26 124.07 3g4x h ALA 29 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3g4x h ALA 29 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3g4x h ALA 29 CO -0.02 0.06 -1.35 0.41 0.00 0.00 0.00 179.25 178.35 3g4x n GLY 30 N -0.37 -1.29 2.84 0.00 0.00 -0.65 -4.90 105.19 100.83 3g4x n GLY 30 Ca -0.01 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 3g4x n GLY 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g4x s ASN 31 N -5.00 0.77 0.00 1.61 3.84 -1.19 -5.04 114.94 109.93 3g4x s ASN 31 Ca -0.03 -0.06 0.17 0.00 0.21 0.00 0.00 52.86 53.15 3g4x s ASN 31 Cb 0.11 0.81 0.56 0.00 -0.55 0.00 0.00 41.25 42.19 3g4x s ASN 31 CO 0.83 -0.32 1.43 -0.90 -2.79 0.00 0.00 177.10 175.35 3g4x n ASP 32 N 5.34 1.99 -4.66 -4.21 5.68 -1.26 -4.63 116.55 114.79 3g4x n ASP 32 Ca -0.04 -1.85 -0.58 0.00 -0.50 0.00 0.00 54.79 51.82 3g4x n ASP 32 Cb 0.49 -0.18 -0.07 0.00 -1.14 0.00 0.00 41.12 40.22 3g4x n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3g4x n ASP 33 N 0.55 1.72 -0.13 -1.12 2.03 -1.26 -4.84 116.55 113.49 3g4x n ASP 33 Ca 0.15 1.12 -0.04 0.00 0.52 0.00 0.00 54.79 56.54 3g4x n ASP 33 Cb 0.35 -1.08 0.03 0.00 -0.72 0.00 0.00 41.12 39.70 3g4x n ASP 33 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3g4x h PRO 34 N 5.66 0.07 0.17 -0.67 0.11 -1.99 0.39 132.00 135.74 3g4x h PRO 34 Ca -0.47 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 3g4x h PRO 34 Cb 1.34 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 3g4x h PRO 34 CO 0.88 0.05 -0.23 1.25 -0.21 0.00 0.00 178.00 179.74 3g4x h HIS 35 N 0.08 -0.62 -0.39 0.65 2.76 -1.99 0.42 115.15 116.05 3g4x h HIS 35 Ca 0.21 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.46 3g4x h HIS 35 Cb 0.32 0.25 -0.06 0.00 1.55 0.00 0.00 27.41 29.46 3g4x h HIS 35 CO -0.31 -0.34 -0.00 0.35 -1.30 0.00 0.00 177.93 176.33 3g4x h PHE 36 N -0.46 -0.02 -0.79 5.26 3.04 -1.88 -1.44 116.94 120.64 3g4x h PHE 36 Ca 0.01 0.03 0.11 0.00 3.98 0.00 0.00 57.97 62.10 3g4x h PHE 36 Cb 0.46 0.07 -0.08 0.00 2.56 0.00 0.00 35.95 38.96 3g4x h PHE 36 CO -0.19 -0.08 0.41 1.96 -2.02 0.00 0.00 178.31 178.39 3g4x h GLN 37 N 0.10 0.64 -0.37 1.11 1.08 -0.70 0.12 115.11 117.09 3g4x h GLN 37 Ca 0.19 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.31 3g4x h GLN 37 Cb 0.27 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 3g4x h GLN 37 CO -0.32 0.42 0.06 1.15 -0.95 0.00 0.00 178.83 179.19 3g4x h THR 38 N 0.66 1.24 -0.59 -0.54 2.02 -0.61 -0.32 112.91 114.76 3g4x h THR 38 Ca 0.40 -0.84 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 3g4x h THR 38 Cb 0.45 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3g4x h THR 38 CO -0.29 0.28 0.12 0.03 0.37 0.00 0.00 175.52 176.03 3g4x h ARG 39 N 0.45 0.96 -0.87 6.66 3.08 -0.82 -0.12 114.38 123.73 3g4x h ARG 39 Ca 0.11 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 59.93 3g4x h ARG 39 Cb 0.35 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 3g4x h ARG 39 CO 0.01 0.90 0.58 0.00 -1.07 0.00 0.00 179.97 180.38 3g4x h ALA 40 N 1.02 1.11 -0.12 0.04 0.00 -0.55 -1.12 119.26 119.64 3g4x h ALA 40 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3g4x h ALA 40 Cb 0.38 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3g4x h ALA 40 CO 0.01 0.52 0.04 1.15 0.00 0.00 0.00 179.25 180.97 3g4x h THR 41 N 1.19 1.16 -0.24 0.00 2.02 -0.71 0.11 112.91 116.43 3g4x h THR 41 Ca 0.32 -0.48 0.06 0.00 0.77 0.00 0.00 66.41 67.08 3g4x h THR 41 Cb -0.13 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 3g4x h THR 41 CO -0.07 0.14 -0.18 0.58 0.37 0.00 0.00 175.52 176.36 3g4x h VAL 42 N 0.02 0.50 -0.33 3.16 2.07 -0.83 -1.68 116.25 119.16 3g4x h VAL 42 Ca 0.04 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 3g4x h VAL 42 Cb 0.18 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3g4x h VAL 42 CO -0.00 0.00 -0.13 0.40 0.02 0.00 0.00 177.57 177.85 3g4x h ILE 43 N -0.18 1.29 -0.89 4.57 2.04 -1.09 -2.60 117.51 120.65 3g4x h ILE 43 Ca 0.14 -1.23 0.02 0.00 1.00 0.00 0.00 64.86 64.78 3g4x h ILE 43 Cb 0.38 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 3g4x h ILE 43 CO -0.35 0.40 0.59 0.50 0.00 0.00 0.00 178.15 179.29 3g4x h LYS 44 N 0.45 1.15 -0.90 2.37 3.64 -0.64 -0.59 116.57 122.05 3g4x h LYS 44 Ca 0.08 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3g4x h LYS 44 Cb 0.66 -0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 3g4x h LYS 44 CO 0.04 0.76 0.60 1.49 -2.27 0.00 0.00 179.45 180.07 3g4x h GLU 45 N 1.18 1.18 -0.13 1.90 4.57 -1.17 -1.00 114.58 121.12 3g4x h GLU 45 Ca 0.33 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.41 3g4x h GLU 45 Cb -0.10 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 28.22 3g4x h GLU 45 CO -0.08 0.78 -0.04 1.96 -1.18 0.00 0.00 179.01 180.45 3g4x h GLN 46 N 1.22 0.26 -0.46 1.92 4.20 -0.96 -2.65 115.11 118.64 3g4x h GLN 46 Ca 0.33 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 3g4x h GLN 46 Cb -0.13 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3g4x h GLN 46 CO -0.07 0.57 0.18 0.00 -0.67 0.00 0.00 178.83 178.83 3g4x h ARG 47 N -0.06 0.69 -0.49 1.46 2.47 -1.07 -1.19 114.38 116.20 3g4x h ARG 47 Ca 0.03 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 3g4x h ARG 47 Cb 0.48 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 3g4x h ARG 47 CO 0.01 0.64 0.31 0.00 0.56 0.00 0.00 179.97 181.49 3g4x h ALA 48 N 1.02 0.62 -0.81 0.04 0.00 -1.21 -0.91 119.26 118.01 3g4x h ALA 48 Ca 0.15 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3g4x h ALA 48 Cb 0.21 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3g4x h ALA 48 CO -0.01 0.08 0.51 1.49 0.00 0.00 0.00 179.25 181.32 3g4x h GLU 49 N 0.65 0.96 -0.43 0.00 4.57 -1.38 -0.77 114.58 118.18 3g4x h GLU 49 Ca 0.18 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 3g4x h GLU 49 Cb -0.05 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.31 3g4x h GLU 49 CO -0.04 0.63 0.15 -0.07 -1.18 0.00 0.00 179.01 178.51 3g4x h LEU 50 N 0.99 0.62 -0.71 1.64 3.38 -0.90 -1.68 115.31 118.63 3g4x h LEU 50 Ca 0.33 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3g4x h LEU 50 Cb 0.04 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3g4x h LEU 50 CO -0.13 0.64 0.45 0.00 0.09 0.00 0.00 178.44 179.49 3g4x h ALA 51 N 1.00 0.93 -0.46 1.53 0.00 -0.72 -1.39 119.26 120.15 3g4x h ALA 51 Ca 0.14 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3g4x h ALA 51 Cb 0.23 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3g4x h ALA 51 CO -0.01 0.23 0.21 0.87 0.00 0.00 0.00 179.25 180.55 3g4x h LYS 52 N 0.87 0.41 -0.17 0.00 1.57 -0.90 -1.01 116.57 117.34 3g4x h LYS 52 Ca 0.29 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3g4x h LYS 52 Cb 0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3g4x h LYS 52 CO -0.11 0.27 0.11 1.25 -0.57 0.00 0.00 179.45 180.41 3g4x h HIS 53 N 0.43 0.22 -0.61 -1.35 2.76 -0.89 0.43 115.15 116.13 3g4x h HIS 53 Ca 0.20 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.41 3g4x h HIS 53 Cb 0.14 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 28.98 3g4x h HIS 53 CO -0.12 0.14 0.37 0.45 -1.30 0.00 0.00 177.93 177.47 3g4x h HIS 54 N 0.23 0.68 0.04 5.26 3.86 -0.91 0.78 115.15 125.09 3g4x h HIS 54 Ca 0.06 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3g4x h HIS 54 Cb -0.02 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.23 3g4x h HIS 54 CO -0.07 0.38 -0.02 0.28 0.86 0.00 0.00 177.93 179.37 3g4x h VAL 55 N 0.71 1.09 -0.76 2.45 2.07 -0.85 -1.98 116.25 118.97 3g4x h VAL 55 Ca 0.25 -0.39 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3g4x h VAL 55 Cb 0.05 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 3g4x h VAL 55 CO -0.12 0.10 0.45 -1.28 0.02 0.00 0.00 177.57 176.74 3g4x h SER 56 N -0.22 0.67 -0.54 0.57 0.87 0.15 -2.15 113.55 112.90 3g4x h SER 56 Ca -0.01 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 3g4x h SER 56 Cb 0.20 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 3g4x h SER 56 CO 0.01 0.42 0.30 0.58 -0.53 0.00 0.00 176.83 177.61 3g4x h VAL 57 N 0.80 1.01 -0.04 2.23 2.07 -0.69 -0.50 116.25 121.12 3g4x h VAL 57 Ca 0.34 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.69 3g4x h VAL 57 Cb 0.22 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3g4x h VAL 57 CO -0.19 0.11 -0.12 -0.07 0.02 0.00 0.00 177.57 177.32 3g4x h LEU 58 N 0.59 -0.35 -0.64 2.57 3.38 -0.75 0.20 115.31 120.30 3g4x h LEU 58 Ca 0.23 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.34 3g4x h LEU 58 Cb 0.09 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3g4x h LEU 58 CO -0.13 -0.17 0.31 -0.25 0.09 0.00 0.00 178.44 178.29 3g4x h TRP 59 N -0.18 0.56 0.09 1.13 7.01 -1.00 -0.45 115.95 123.10 3g4x h TRP 59 Ca 0.06 0.03 -0.33 0.00 2.11 0.00 0.00 58.89 60.76 3g4x h TRP 59 Cb 0.26 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 3g4x h TRP 59 CO -0.20 0.21 -1.78 0.66 -2.79 0.00 0.00 178.44 174.54 3g4x h SER 60 N 0.55 0.30 0.00 2.65 4.64 -0.95 -3.38 113.55 117.37 3g4x h SER 60 Ca 0.31 -0.58 -0.24 0.00 -0.47 0.00 0.00 61.79 60.81 3g4x h SER 60 Cb 0.30 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 3g4x h SER 60 CO -0.24 1.51 -2.06 0.47 -0.87 0.00 0.00 176.83 175.64 3g4x n ASP 61 N -3.36 0.98 -0.10 4.97 10.43 0.68 -4.73 116.55 125.42 3g4x n ASP 61 Ca -0.23 0.00 -0.13 0.00 2.57 0.00 0.00 54.79 57.00 3g4x n ASP 61 Cb 1.05 1.08 -0.05 0.00 1.84 0.00 0.00 41.12 45.05 3g4x n ASP 61 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3g4x n TYR 62 N -2.50 0.30 -2.11 1.24 9.36 -0.37 -4.96 117.16 118.11 3g4x n TYR 62 Ca -0.22 0.13 -0.41 0.00 3.32 0.00 0.00 57.90 60.72 3g4x n TYR 62 Cb 0.92 -0.71 -0.02 0.00 -0.63 0.00 0.00 39.34 38.90 3g4x n TYR 62 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 3g4x s PHE 63 N -2.64 3.05 0.33 2.98 0.40 -0.32 -5.04 117.98 116.74 3g4x s PHE 63 Ca -0.28 1.37 0.05 0.00 -0.60 0.00 0.00 56.93 57.47 3g4x s PHE 63 Cb 0.06 -3.69 -0.07 0.00 0.51 0.00 0.00 43.02 39.83 3g4x s PHE 63 CO 0.41 -1.94 0.03 0.15 0.70 0.00 0.00 175.22 174.57 3g4x s LYS 64 N -1.60 1.68 0.35 0.44 -0.14 -1.26 -4.72 119.74 114.48 3g4x s LYS 64 Ca 0.50 -1.92 0.11 0.00 -1.36 0.00 0.00 55.97 53.30 3g4x s LYS 64 Cb -0.40 -1.04 0.89 0.00 -1.68 0.00 0.00 37.83 35.61 3g4x s LYS 64 CO 0.51 -0.12 1.79 -1.35 -0.76 0.00 0.00 175.35 175.42 3g4x h PRO 65 N 2.10 0.59 0.00 -1.68 0.11 -1.99 0.19 132.00 131.31 3g4x h PRO 65 Ca -0.41 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3g4x h PRO 65 Cb 1.24 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3g4x h PRO 65 CO 0.71 0.39 -0.11 -1.35 -0.21 0.00 0.00 178.00 177.43 3g4x h PRO 66 N 0.61 0.00 -0.06 1.05 0.11 -1.99 -1.08 132.00 130.63 3g4x h PRO 66 Ca 0.56 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.44 3g4x h PRO 66 Cb 1.09 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.22 3g4x h PRO 66 CO -0.33 0.11 -0.85 0.45 -0.21 0.00 0.00 178.00 177.17 3g4x h HIS 67 N 0.00 0.98 0.00 0.65 3.86 -1.04 -1.92 115.15 117.68 3g4x h HIS 67 Ca -0.00 -0.49 -0.05 0.00 -1.16 0.00 0.00 60.37 58.67 3g4x h HIS 67 Cb 0.21 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3g4x h HIS 67 CO 0.00 1.32 -0.24 0.74 0.86 0.00 0.00 177.93 180.61 3g4x h PHE 68 N 0.36 0.00 -0.04 2.45 -1.00 -0.90 0.73 116.94 118.54 3g4x h PHE 68 Ca -0.09 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.62 3g4x h PHE 68 Cb 1.51 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.07 3g4x h PHE 68 CO 0.10 0.24 -0.24 1.49 -1.61 0.00 0.00 178.31 178.29 3g4x h GLU 69 N 0.00 0.24 0.00 1.51 4.81 -1.14 -3.04 114.58 116.96 3g4x h GLU 69 Ca -0.00 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 58.95 3g4x h GLU 69 Cb 0.55 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 3g4x h GLU 69 CO 0.03 0.86 -0.36 -0.22 -0.73 0.00 0.00 179.01 178.59 3g4x h LYS 70 N -0.32 0.00 -2.92 1.92 3.64 -1.09 -3.35 116.57 114.45 3g4x h LYS 70 Ca -0.02 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.75 3g4x h LYS 70 Cb 0.91 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.32 3g4x h LYS 70 CO 0.05 0.36 -0.66 0.66 -2.27 0.00 0.00 179.45 177.59 3g4x n TYR 71 N -4.01 2.37 0.29 1.91 4.02 0.23 -4.95 117.16 117.02 3g4x n TYR 71 Ca -0.02 -4.10 0.10 0.00 -0.01 0.00 0.00 57.90 53.88 3g4x n TYR 71 Cb 0.40 -0.44 0.49 0.00 -0.02 0.00 0.00 39.34 39.77 3g4x n TYR 71 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3g4x n PRO 72 N 2.13 0.15 0.00 -0.72 -0.05 -1.15 -1.04 135.00 134.32 3g4x n PRO 72 Ca 0.22 0.50 0.13 0.00 -0.05 0.00 0.00 63.50 64.30 3g4x n PRO 72 Cb 0.38 -1.86 0.29 0.00 -0.05 0.00 0.00 33.50 32.26 3g4x n PRO 72 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 175.50 174.60 3g4x n GLU 73 N -2.15 1.26 -0.19 0.54 0.00 -1.26 -4.46 120.64 114.38 3g4x n GLU 73 Ca 0.01 -0.87 -0.08 0.00 0.00 0.00 0.00 57.16 56.22 3g4x n GLU 73 Cb 0.14 -1.48 0.01 0.00 0.00 0.00 0.00 31.44 30.11 3g4x n GLU 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3g4x h LEU 74 N 2.11 0.78 -0.31 -1.84 5.85 -1.42 -1.51 115.31 118.98 3g4x h LEU 74 Ca 0.00 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.56 3g4x h LEU 74 Cb 0.62 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 3g4x h LEU 74 CO 0.00 0.79 -0.07 0.45 -0.34 0.00 0.00 178.44 179.28 3g4x h HIS 75 N 0.73 -0.14 -0.61 1.25 3.86 -1.79 -1.13 115.15 117.31 3g4x h HIS 75 Ca 0.17 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.33 3g4x h HIS 75 Cb 0.30 0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 3g4x h HIS 75 CO 0.02 -0.12 0.10 0.37 0.86 0.00 0.00 177.93 179.16 3g4x h GLN 76 N 0.01 1.01 -0.42 2.45 5.75 -1.82 -1.07 115.11 121.04 3g4x h GLN 76 Ca 0.15 -0.27 0.07 0.00 -0.15 0.00 0.00 58.65 58.45 3g4x h GLN 76 Cb 0.22 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.59 3g4x h GLN 76 CO -0.31 0.95 0.03 1.25 -2.65 0.00 0.00 178.83 178.10 3g4x h LEU 77 N 0.92 -0.10 -0.27 -2.39 5.85 -0.94 0.21 115.31 118.58 3g4x h LEU 77 Ca 0.19 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 3g4x h LEU 77 Cb 0.43 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3g4x h LEU 77 CO 0.01 -0.02 0.01 0.58 -0.34 0.00 0.00 178.44 178.69 3g4x h VAL 78 N 0.15 1.25 -0.58 1.05 2.07 -0.95 0.28 116.25 119.51 3g4x h VAL 78 Ca 0.20 -0.89 0.07 0.00 0.82 0.00 0.00 66.70 66.91 3g4x h VAL 78 Cb 0.28 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3g4x h VAL 78 CO -0.31 0.28 0.26 -1.13 0.02 0.00 0.00 177.57 176.69 3g4x h ASN 79 N 0.27 0.34 -0.76 0.57 -0.73 -0.93 -0.31 115.58 114.03 3g4x h ASN 79 Ca 0.08 0.05 -0.06 0.00 1.87 0.00 0.00 56.30 58.24 3g4x h ASN 79 Cb 0.40 -0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.96 3g4x h ASN 79 CO 0.01 0.22 0.26 0.44 -0.37 0.00 0.00 177.43 177.98 3g4x h ASP 80 N 0.49 1.09 -0.12 1.15 3.32 -0.24 -1.28 116.42 120.82 3g4x h ASP 80 Ca 0.27 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.14 3g4x h ASP 80 Cb 0.26 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3g4x h ASP 80 CO -0.23 0.99 0.06 0.74 -1.72 0.00 0.00 179.24 179.08 3g4x h THR 81 N 1.12 1.00 -0.59 0.35 2.02 0.08 0.35 112.91 117.25 3g4x h THR 81 Ca 0.25 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.38 3g4x h THR 81 Cb 0.28 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 3g4x h THR 81 CO -0.01 0.02 0.36 -0.07 0.37 0.00 0.00 175.52 176.19 3g4x h LEU 82 N 0.13 0.70 -0.69 2.58 3.38 -0.82 -1.38 115.31 119.21 3g4x h LEU 82 Ca 0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3g4x h LEU 82 Cb 0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3g4x h LEU 82 CO -0.03 0.55 0.38 0.11 0.09 0.00 0.00 178.44 179.54 3g4x h LYS 83 N 0.79 0.97 -0.64 1.13 1.57 -1.02 -0.86 116.57 118.51 3g4x h LYS 83 Ca 0.21 -0.11 0.09 0.00 -1.87 0.00 0.00 60.65 58.96 3g4x h LYS 83 Cb -0.03 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.03 3g4x h LYS 83 CO -0.04 0.72 0.28 0.00 -0.57 0.00 0.00 179.45 179.85 3g4x h ALA 84 N 1.19 0.85 -0.65 3.86 0.00 0.04 0.05 119.26 124.59 3g4x h ALA 84 Ca 0.24 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3g4x h ALA 84 Cb 0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3g4x h ALA 84 CO -0.04 -0.12 0.31 -0.07 0.00 0.00 0.00 179.25 179.33 3g4x h LEU 85 N 0.50 0.86 -0.98 0.00 3.38 -0.93 0.58 115.31 118.72 3g4x h LEU 85 Ca 0.31 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.18 3g4x h LEU 85 Cb 0.34 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3g4x h LEU 85 CO -0.27 0.75 0.64 0.28 0.09 0.00 0.00 178.44 179.94 3g4x h SER 86 N 0.90 1.07 -0.51 -0.43 0.02 -0.89 -0.39 113.55 113.32 3g4x h SER 86 Ca 0.22 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.04 3g4x h SER 86 Cb 0.13 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3g4x h SER 86 CO -0.03 0.73 -0.16 0.00 -1.14 0.00 0.00 176.83 176.23 3g4x h ALA 87 N 1.40 0.73 -0.68 3.77 0.00 -0.18 -1.97 119.26 122.34 3g4x h ALA 87 Ca 0.39 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3g4x h ALA 87 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3g4x h ALA 87 CO -0.13 0.67 0.26 0.00 0.00 0.00 0.00 179.25 180.06 3g4x h ALA 88 N 0.91 0.88 -0.60 0.00 0.00 -0.63 -1.86 119.26 117.96 3g4x h ALA 88 Ca 0.13 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.97 3g4x h ALA 88 Cb 0.74 -0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.15 3g4x h ALA 88 CO 0.06 0.51 -0.13 0.87 0.00 0.00 0.00 179.25 180.56 3g4x h LYS 89 N 0.97 0.01 0.00 0.00 1.57 -0.88 -1.60 116.57 116.65 3g4x h LYS 89 Ca 0.23 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3g4x h LYS 89 Cb 0.22 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3g4x h LYS 89 CO -0.02 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.28 3g4x n GLY 90 N -1.41 -0.99 3.32 3.86 0.00 -0.75 -4.85 105.19 104.37 3g4x n GLY 90 Ca 0.07 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 3g4x n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g4x s SER 91 N -2.23 2.74 0.00 1.61 0.15 -0.60 -5.03 113.70 110.34 3g4x s SER 91 Ca 0.35 -0.74 0.24 0.00 0.70 0.00 0.00 55.95 56.51 3g4x s SER 91 Cb 0.19 -0.16 0.35 0.00 -1.71 0.00 0.00 66.02 64.68 3g4x s SER 91 CO 0.36 0.07 1.32 0.29 1.20 0.00 0.00 173.24 176.47 3g4x n LYS 92 N 0.87 1.26 -2.75 5.44 5.02 -1.26 -4.89 118.16 121.85 3g4x n LYS 92 Ca -0.18 -0.94 -0.43 0.00 -2.02 0.00 0.00 58.31 54.74 3g4x n LYS 92 Cb 0.54 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 3g4x n LYS 92 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3g4x s ASP 93 N -2.39 6.89 0.21 4.39 2.15 -1.26 -4.61 116.67 122.06 3g4x s ASP 93 Ca 0.23 1.03 0.17 0.00 0.43 0.00 0.00 52.55 54.40 3g4x s ASP 93 Cb 0.19 -2.50 0.83 0.00 -0.30 0.00 0.00 42.92 41.15 3g4x s ASP 93 CO 0.50 -0.72 1.51 -0.81 -0.17 0.00 0.00 175.17 175.48 3g4x n PRO 94 N 6.48 0.11 0.19 4.34 -0.04 -1.26 -1.51 135.00 143.30 3g4x n PRO 94 Ca 0.09 0.54 0.03 0.00 -0.04 0.00 0.00 63.50 64.12 3g4x n PRO 94 Cb 0.47 -1.81 0.36 0.00 -0.04 0.00 0.00 33.50 32.49 3g4x n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g4x h ALA 95 N 2.08 1.28 -0.22 0.55 0.00 -1.96 0.87 119.26 121.87 3g4x h ALA 95 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 3g4x h ALA 95 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3g4x h ALA 95 CO 0.00 0.48 -0.66 1.79 0.00 0.00 0.00 179.25 180.86 3g4x h THR 96 N 0.00 1.28 -0.38 0.00 1.35 -1.68 0.20 112.91 113.68 3g4x h THR 96 Ca -0.00 -1.85 0.05 0.00 -0.55 0.00 0.00 66.41 64.05 3g4x h THR 96 Cb 0.72 1.80 -0.04 0.00 -1.73 0.00 0.00 68.15 68.90 3g4x h THR 96 CO 0.05 0.60 0.12 1.23 -0.25 0.00 0.00 175.52 177.26 3g4x h GLY 97 N 0.66 0.48 1.00 5.82 0.00 -1.51 -2.00 103.07 107.53 3g4x h GLY 97 Ca -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 3g4x h GLY 97 CO 0.14 0.01 0.19 -1.61 0.00 0.00 0.00 176.54 175.27 3g4x h GLN 98 N 0.27 0.91 -0.64 4.80 5.75 -0.71 -0.95 115.11 124.54 3g4x h GLN 98 Ca 0.18 -0.20 0.09 0.00 -0.15 0.00 0.00 58.65 58.57 3g4x h GLN 98 Cb 0.17 -0.13 -0.07 0.00 1.07 0.00 0.00 27.48 28.52 3g4x h GLN 98 CO -0.19 0.82 0.28 -0.22 -2.65 0.00 0.00 178.83 176.87 3g4x h LYS 99 N 0.83 0.48 -0.43 1.69 3.64 -0.76 0.41 116.57 122.43 3g4x h LYS 99 Ca 0.19 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3g4x h LYS 99 Cb 0.28 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3g4x h LYS 99 CO -0.01 0.32 0.18 0.00 -2.27 0.00 0.00 179.45 177.67 3g4x h ALA 100 N 1.41 0.56 -1.01 5.00 0.00 -1.08 -0.69 119.26 123.44 3g4x h ALA 100 Ca 0.32 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3g4x h ALA 100 Cb 0.35 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3g4x h ALA 100 CO -0.28 0.15 0.66 -0.07 0.00 0.00 0.00 179.25 179.72 3g4x h LEU 101 N 0.55 1.11 -0.38 0.00 3.38 -0.60 0.46 115.31 119.84 3g4x h LEU 101 Ca 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3g4x h LEU 101 Cb 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3g4x h LEU 101 CO -0.01 0.76 0.20 0.44 0.09 0.00 0.00 178.44 179.92 3g4x h ASP 102 N 1.29 0.48 -0.34 -0.43 3.45 0.40 -0.58 116.42 120.70 3g4x h ASP 102 Ca 0.40 -0.10 -0.01 0.00 0.43 0.00 0.00 57.03 57.75 3g4x h ASP 102 Cb -0.02 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.61 3g4x h ASP 102 CO -0.12 0.45 0.19 1.88 -1.57 0.00 0.00 179.24 180.07 3g4x h TYR 103 N 0.48 0.46 -0.72 4.55 -1.99 -0.71 -1.88 116.97 117.16 3g4x h TYR 103 Ca 0.13 -0.01 0.10 0.00 2.00 0.00 0.00 58.73 60.95 3g4x h TYR 103 Cb 0.08 -0.15 -0.07 0.00 2.00 0.00 0.00 36.73 38.59 3g4x h TYR 103 CO -0.02 0.37 0.36 0.82 -0.00 0.00 0.00 178.16 179.68 3g4x h ILE 104 N 0.42 0.84 -0.39 -2.88 2.04 -0.70 -0.83 117.51 116.01 3g4x h ILE 104 Ca 0.12 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.79 3g4x h ILE 104 Cb 0.06 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3g4x h ILE 104 CO -0.02 0.11 0.26 0.00 0.00 0.00 0.00 178.15 178.50 3g4x h ALA 105 N 1.44 1.78 -0.28 1.87 0.00 -0.82 0.13 119.26 123.38 3g4x h ALA 105 Ca 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3g4x h ALA 105 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3g4x h ALA 105 CO -0.28 0.18 0.03 1.96 0.00 0.00 0.00 179.25 181.15 3g4x h GLN 106 N 0.47 0.47 -0.79 0.00 4.20 -0.36 -1.46 115.11 117.65 3g4x h GLN 106 Ca 0.15 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.76 3g4x h GLN 106 Cb 0.03 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 3g4x h GLN 106 CO -0.03 0.60 0.50 0.82 -0.67 0.00 0.00 178.83 180.05 3g4x h ILE 107 N 0.27 1.11 -0.52 2.54 2.04 -0.49 -2.52 117.51 119.96 3g4x h ILE 107 Ca 0.08 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3g4x h ILE 107 Cb 0.37 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3g4x h ILE 107 CO 0.01 0.18 0.25 -0.78 0.00 0.00 0.00 178.15 177.80 3g4x h ASP 108 N 0.97 0.68 0.07 1.72 3.58 -0.68 0.89 116.42 123.66 3g4x h ASP 108 Ca 0.32 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.66 3g4x h ASP 108 Cb 0.02 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 40.85 3g4x h ASP 108 CO -0.12 0.62 -0.35 0.50 -2.88 0.00 0.00 179.24 177.01 3g4x h LYS 109 N 0.69 -0.53 -0.12 0.28 3.64 -0.95 -0.39 116.57 119.19 3g4x h LYS 109 Ca 0.18 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 3g4x h LYS 109 Cb 0.12 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3g4x h LYS 109 CO -0.02 -0.35 -0.06 0.82 -2.27 0.00 0.00 179.45 177.56 3g4x h ILE 110 N -0.55 0.79 -0.60 2.00 2.04 -1.28 -1.92 117.51 117.99 3g4x h ILE 110 Ca 0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.02 3g4x h ILE 110 Cb 0.60 0.79 -0.12 0.00 -0.74 0.00 0.00 36.82 37.36 3g4x h ILE 110 CO -0.24 0.00 -0.16 0.15 0.00 0.00 0.00 178.15 177.90 3g4x h PHE 111 N -0.06 -0.36 0.00 1.37 3.57 -0.44 -1.74 116.94 119.28 3g4x h PHE 111 Ca 0.07 0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 3g4x h PHE 111 Cb 0.16 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3g4x h PHE 111 CO -0.19 -0.27 -0.53 -1.49 -2.23 0.00 0.00 178.31 173.60 3g4x h TRP 112 N -0.01 0.00 -0.75 0.41 4.06 -0.80 -2.35 115.95 116.50 3g4x h TRP 112 Ca 0.29 0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.26 3g4x h TRP 112 Cb 0.45 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.57 3g4x h TRP 112 CO -0.51 0.53 0.48 0.93 -3.56 0.00 0.00 178.44 176.32 3g4x h GLU 113 N 0.00 0.93 0.00 0.49 5.08 -0.83 -2.42 114.58 117.82 3g4x h GLU 113 Ca -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3g4x h GLU 113 Cb 1.07 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3g4x h GLU 113 CO 0.07 0.61 0.00 1.79 -1.00 0.00 0.00 179.01 180.48 3g4x h THR 114 N 0.96 0.00 0.00 1.13 1.35 -0.84 -1.54 112.91 113.97 3g4x h THR 114 Ca 0.30 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3g4x h THR 114 Cb -0.02 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3g4x h THR 114 CO -0.10 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.28 3g4x h LYS 115 N 0.00 0.00 -0.01 4.72 1.79 -0.95 -3.52 116.57 118.60 3g4x h LYS 115 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3g4x h LYS 115 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3g4x h LYS 115 CO 0.00 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.00