#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g0k s ARG 3 N 0.00 3.83 0.87 0.00 0.52 -1.26 -5.07 118.95 117.84 3g0k s ARG 3 Ca 0.00 -0.42 -0.12 0.00 -0.52 0.00 0.00 55.73 54.68 3g0k s ARG 3 Cb 0.00 -3.17 0.11 0.00 0.52 0.00 0.00 34.95 32.42 3g0k s ARG 3 CO 0.00 0.16 1.10 0.95 0.02 0.00 0.00 175.30 177.53 3g0k s THR 4 N 0.64 2.73 0.22 0.02 -4.23 -1.26 -4.84 115.64 108.92 3g0k s THR 4 Ca 0.02 0.24 -0.07 0.00 -1.18 0.00 0.00 61.69 60.69 3g0k s THR 4 Cb -0.13 -2.83 0.18 0.00 1.34 0.00 0.00 72.50 71.06 3g0k s THR 4 CO 0.02 -0.31 1.83 0.00 -0.54 0.00 0.00 174.62 175.62 3g0k h ALA 5 N -1.40 1.04 -0.51 3.99 0.00 -1.99 -0.31 119.26 120.08 3g0k h ALA 5 Ca -0.49 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 3g0k h ALA 5 Cb 1.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3g0k h ALA 5 CO 0.57 0.17 -0.18 1.49 0.00 0.00 0.00 179.25 181.30 3g0k h GLU 6 N 0.83 1.02 -0.32 0.00 4.57 -1.98 -0.76 114.58 117.94 3g0k h GLU 6 Ca 0.34 -0.41 0.05 0.00 -1.18 0.00 0.00 59.36 58.16 3g0k h GLU 6 Cb 0.17 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 3g0k h GLU 6 CO -0.17 1.10 0.03 0.93 -1.18 0.00 0.00 179.01 179.71 3g0k h GLU 7 N 0.88 0.12 -0.79 1.92 5.08 -1.69 -0.55 114.58 119.56 3g0k h GLU 7 Ca 0.12 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3g0k h GLU 7 Cb 0.76 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 3g0k h GLU 7 CO 0.06 0.08 0.52 0.37 -1.00 0.00 0.00 179.01 179.04 3g0k h GLN 8 N 0.13 1.01 -0.70 2.33 5.75 -0.84 -0.30 115.11 122.50 3g0k h GLN 8 Ca 0.15 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 3g0k h GLN 8 Cb 0.19 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 3g0k h GLN 8 CO -0.24 0.67 0.33 0.00 -2.65 0.00 0.00 178.83 176.94 3g0k h ALA 9 N 1.30 0.91 -0.50 3.38 0.00 -0.83 -0.03 119.26 123.49 3g0k h ALA 9 Ca 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3g0k h ALA 9 Cb -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3g0k h ALA 9 CO -0.08 0.48 0.19 -0.91 0.00 0.00 0.00 179.25 178.94 3g0k h ASN 10 N 0.98 0.69 -0.13 0.00 2.35 -0.61 -1.42 115.58 117.46 3g0k h ASN 10 Ca 0.24 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3g0k h ASN 10 Cb 0.14 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3g0k h ASN 10 CO -0.03 0.68 -0.05 -0.74 -1.65 0.00 0.00 177.43 175.64 3g0k h HIS 11 N 0.67 -0.11 -0.10 1.19 -0.00 -0.82 -2.64 115.15 113.34 3g0k h HIS 11 Ca 0.17 0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.45 3g0k h HIS 11 Cb 0.20 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 3g0k h HIS 11 CO 0.01 -0.08 -0.39 -0.44 -0.00 0.00 0.00 177.93 177.03 3g0k h ASP 12 N -0.03 0.23 0.10 3.26 3.32 -0.76 -1.40 116.42 121.14 3g0k h ASP 12 Ca 0.07 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 3g0k h ASP 12 Cb 0.12 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3g0k h ASP 12 CO -0.14 0.60 -0.52 0.17 -1.72 0.00 0.00 179.24 177.62 3g0k h LEU 13 N 0.19 0.51 -0.49 1.55 8.10 -1.13 0.41 115.31 124.44 3g0k h LEU 13 Ca 0.02 -0.26 -0.06 0.00 0.11 0.00 0.00 57.88 57.69 3g0k h LEU 13 Cb 0.77 -0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 40.83 3g0k h LEU 13 CO 0.06 0.94 0.08 0.58 -4.11 0.00 0.00 178.44 175.99 3g0k h VAL 14 N 0.36 1.25 -0.58 0.15 2.07 -1.06 -3.01 116.25 115.42 3g0k h VAL 14 Ca 0.01 -0.92 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 3g0k h VAL 14 Cb 1.04 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3g0k h VAL 14 CO 0.09 0.33 0.06 0.40 0.02 0.00 0.00 177.57 178.47 3g0k h ILE 15 N 0.69 1.26 0.00 4.57 1.08 -1.13 0.07 117.51 124.06 3g0k h ILE 15 Ca 0.15 -1.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.58 3g0k h ILE 15 Cb 0.39 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 3g0k h ILE 15 CO 0.01 0.38 0.00 1.21 -0.69 0.00 0.00 178.15 179.06 3g0k n GLU 16 N -4.28 0.13 0.00 2.37 2.13 0.12 -1.34 120.64 119.77 3g0k n GLU 16 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3g0k n GLU 16 Cb 0.30 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.60 3g0k n GLU 16 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 3g0k n TYR 18 N 0.90 0.00 0.24 4.31 4.19 0.01 -0.38 117.16 126.42 3g0k n TYR 18 Ca 0.00 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.06 3g0k n TYR 18 Cb 0.06 0.00 -0.08 0.00 0.49 0.00 0.00 39.34 39.81 3g0k n TYR 18 CO 0.00 0.00 0.00 -0.91 0.91 0.00 0.00 176.86 176.86 3g0k h ASN 19 N 0.00 -0.51 0.91 2.98 2.35 -1.48 -0.23 115.58 119.60 3g0k h ASN 19 Ca 0.00 -0.08 -0.21 0.00 -0.55 0.00 0.00 56.30 55.46 3g0k h ASN 19 Cb 0.00 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 3g0k h ASN 19 CO 0.00 -0.21 -0.99 0.11 -1.65 0.00 0.00 177.43 174.69 3g0k h LYS 20 N -0.83 0.04 0.00 0.81 1.79 -0.97 -2.39 116.57 115.01 3g0k h LYS 20 Ca -0.06 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 3g0k h LYS 20 Cb 0.56 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 3g0k h LYS 20 CO 0.10 0.99 -0.70 0.28 -1.08 0.00 0.00 179.45 179.04 3g0k n VAL 21 N -3.42 1.44 -0.08 0.50 0.31 -1.26 -4.20 118.33 111.63 3g0k n VAL 21 Ca -0.01 0.17 -0.12 0.00 -0.01 0.00 0.00 64.34 64.37 3g0k n VAL 21 Cb 0.92 -2.35 -0.08 0.00 -0.91 0.00 0.00 33.84 31.42 3g0k n VAL 21 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3g0k h LEU 22 N -1.00 0.00 -0.80 7.52 3.38 -1.60 -0.78 115.31 122.03 3g0k h LEU 22 Ca -0.04 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 3g0k h LEU 22 Cb 0.68 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3g0k h LEU 22 CO -0.02 1.02 0.50 0.40 0.09 0.00 0.00 178.44 180.43 3g0k h ILE 23 N -1.00 1.22 0.00 1.22 2.04 -1.10 -3.44 117.51 116.46 3g0k h ILE 23 Ca -0.11 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3g0k h ILE 23 Cb 0.84 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3g0k h ILE 23 CO -0.07 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.31 3g0k n ALA 24 N -2.34 0.00 0.00 1.87 0.00 -0.90 -5.03 120.51 114.10 3g0k n ALA 24 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3g0k n ALA 24 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3g0k n ALA 24 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g0k n ASP 26 N -0.39 0.00 0.23 0.00 -0.08 -0.30 -5.00 116.55 111.02 3g0k n ASP 26 Ca 0.00 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.39 3g0k n ASP 26 Cb 0.00 0.00 0.69 0.00 2.34 0.00 0.00 41.12 44.15 3g0k n ASP 26 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3g0k h SER 27 N 0.00 0.00 0.60 1.67 4.64 -1.85 -2.23 113.55 116.38 3g0k h SER 27 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g0k h SER 27 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3g0k h SER 27 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 3g0k n SER 28 N -4.40 0.15 0.02 4.97 3.41 -1.26 -2.58 113.62 113.92 3g0k n SER 28 Ca -0.01 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 3g0k n SER 28 Cb 0.16 -0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 3g0k n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g0k n ALA 29 N -1.56 3.56 -0.19 7.33 0.00 -0.84 -4.56 120.51 124.24 3g0k n ALA 29 Ca 0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 53.44 52.99 3g0k n ALA 29 Cb 0.20 -0.89 0.08 0.00 0.00 0.00 0.00 19.45 18.84 3g0k n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g0k h VAL 30 N 0.00 0.89 0.00 0.00 2.07 -1.60 -2.54 116.25 115.06 3g0k h VAL 30 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3g0k h VAL 30 Cb 0.73 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3g0k h VAL 30 CO 0.00 0.09 0.00 0.44 0.02 0.00 0.00 177.57 178.12 3g0k h ASP 31 N 0.50 0.00 1.24 0.57 3.32 -1.80 -1.39 116.42 118.87 3g0k h ASP 31 Ca 0.27 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 3g0k h ASP 31 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3g0k h ASP 31 CO -0.22 0.00 -0.30 0.03 -1.72 0.00 0.00 179.24 177.03 3g0k h ARG 32 N 0.00 0.00 0.00 3.56 3.08 -1.77 -3.40 114.38 115.86 3g0k h ARG 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3g0k h ARG 32 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3g0k h ARG 32 CO 0.00 0.30 -0.74 0.66 -1.07 0.00 0.00 179.97 179.12 3g0k n TYR 33 N -3.30 0.00 -4.08 3.04 4.01 -0.72 -5.01 117.16 111.09 3g0k n TYR 33 Ca 0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.42 3g0k n TYR 33 Cb 0.55 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.42 3g0k n TYR 33 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3g0k s ILE 34 N -1.68 2.28 0.33 -0.72 1.01 -0.60 -0.46 121.20 121.34 3g0k s ILE 34 Ca 0.00 -0.90 -0.28 0.00 0.00 0.00 0.00 60.65 59.47 3g0k s ILE 34 Cb 0.00 -1.99 -0.09 0.00 0.01 0.00 0.00 42.46 40.39 3g0k s ILE 34 CO 0.00 0.50 1.14 0.00 0.00 0.00 0.00 174.94 176.57 3g0k s ALA 35 N 1.31 3.33 0.26 9.38 0.00 -0.29 -4.63 121.76 131.12 3g0k s ALA 35 Ca 0.05 0.94 -0.31 0.00 0.00 0.00 0.00 51.96 52.64 3g0k s ALA 35 Cb -0.13 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.50 3g0k s ALA 35 CO -0.11 -0.31 1.43 -2.30 0.00 0.00 0.00 175.76 174.47 3g0k n PRO 36 N 0.76 2.16 -0.93 0.00 -0.02 -1.26 -2.08 135.00 133.63 3g0k n PRO 36 Ca 0.01 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3g0k n PRO 36 Cb 0.45 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3g0k n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g0k n GLY 37 N 2.01 0.50 3.65 -1.23 0.00 -1.26 -5.02 105.19 103.84 3g0k n GLY 37 Ca 0.10 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 3g0k n GLY 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3g0k n TYR 38 N -2.93 1.28 -3.22 1.61 4.11 -0.88 -4.93 117.16 112.20 3g0k n TYR 38 Ca 0.00 0.44 -0.42 0.00 -0.00 0.00 0.00 57.90 57.93 3g0k n TYR 38 Cb 0.00 -2.21 -0.08 0.00 -0.00 0.00 0.00 39.34 37.06 3g0k n TYR 38 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3g0k s VAL 39 N -1.43 4.99 -0.27 -3.48 1.01 -0.43 -4.82 120.40 115.97 3g0k s VAL 39 Ca 0.75 0.32 -0.14 0.00 0.00 0.00 0.00 61.98 62.91 3g0k s VAL 39 Cb -0.42 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 3g0k s VAL 39 CO 0.47 -0.27 0.33 -1.58 0.00 0.00 0.00 175.10 174.06 3g0k s GLN 40 N 2.45 4.01 -0.00 2.72 2.00 -1.26 -1.26 119.66 128.32 3g0k s GLN 40 Ca 0.19 -0.03 0.21 0.00 -2.00 0.00 0.00 55.36 53.74 3g0k s GLN 40 Cb -0.15 -3.65 -0.21 0.00 0.80 0.00 0.00 33.01 29.80 3g0k s GLN 40 CO 0.14 -0.24 0.85 0.72 -0.50 0.00 0.00 175.29 176.26 3g0k n HIS 41 N 5.21 0.01 -1.69 1.67 8.25 -0.01 -4.99 115.22 123.67 3g0k n HIS 41 Ca -0.10 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.96 3g0k n HIS 41 Cb 0.51 -0.13 0.02 0.00 1.12 0.00 0.00 29.99 31.51 3g0k n HIS 41 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3g0k n SER 42 N -1.67 2.25 0.26 0.41 2.88 -1.26 -4.79 113.62 111.71 3g0k n SER 42 Ca 0.02 1.05 0.12 0.00 -1.33 0.00 0.00 58.87 58.73 3g0k n SER 42 Cb 0.38 -1.49 0.70 0.00 -0.75 0.00 0.00 64.21 63.05 3g0k n SER 42 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3g0k h SER 43 N 1.76 0.00 0.00 -3.46 4.64 -1.95 -3.39 113.55 111.15 3g0k h SER 43 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3g0k h SER 43 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3g0k h SER 43 CO 0.58 0.13 -0.56 0.18 -0.87 0.00 0.00 176.83 176.29 3g0k n LEU 44 N -3.72 0.83 -4.76 5.97 4.77 -1.26 -5.09 117.00 113.74 3g0k n LEU 44 Ca -0.02 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.62 3g0k n LEU 44 Cb 0.24 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 3g0k n LEU 44 CO 0.31 0.14 0.77 0.00 -1.33 0.00 0.00 177.39 177.27 3g0k s ALA 45 N -1.56 2.48 0.49 -1.18 0.00 -1.26 -4.93 121.76 115.80 3g0k s ALA 45 Ca 0.00 0.70 -0.23 0.00 0.00 0.00 0.00 51.96 52.43 3g0k s ALA 45 Cb 0.00 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 3g0k s ALA 45 CO 0.00 -1.22 1.26 -1.21 0.00 0.00 0.00 175.76 174.58 3g0k s GLU 46 N -3.80 3.52 0.00 0.00 0.41 -1.26 -4.82 118.70 112.75 3g0k s GLU 46 Ca 0.70 2.00 0.26 0.00 -0.41 0.00 0.00 54.97 57.52 3g0k s GLU 46 Cb -0.23 -2.38 0.58 0.00 -1.78 0.00 0.00 34.13 30.32 3g0k s GLU 46 CO 0.38 -0.81 1.46 -0.35 -0.49 0.00 0.00 175.26 175.45 3g0k n PRO 47 N -0.65 1.41 -3.84 0.39 -0.04 -1.26 -4.82 135.00 126.18 3g0k n PRO 47 Ca 0.08 -0.98 -0.10 0.00 -0.04 0.00 0.00 63.50 62.46 3g0k n PRO 47 Cb 0.46 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 3g0k n PRO 47 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3g0k s SER 48 N -2.27 -0.05 0.15 3.54 1.04 -1.26 -4.57 113.70 110.27 3g0k s SER 48 Ca 0.28 -0.66 -0.17 0.00 0.48 0.00 0.00 55.95 55.88 3g0k s SER 48 Cb 0.20 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.81 3g0k s SER 48 CO 0.44 -0.89 1.76 0.58 0.98 0.00 0.00 173.24 176.11 3g0k h VAL 49 N 2.47 0.94 -0.52 5.02 2.07 -1.92 0.60 116.25 124.91 3g0k h VAL 49 Ca -0.32 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 3g0k h VAL 49 Cb 1.23 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3g0k h VAL 49 CO 0.47 0.05 0.04 -0.08 0.02 0.00 0.00 177.57 178.07 3g0k h GLU 50 N 0.30 0.90 -0.79 1.57 4.57 -1.99 0.16 114.58 119.30 3g0k h GLU 50 Ca 0.15 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 58.03 3g0k h GLU 50 Cb 0.10 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 3g0k h GLU 50 CO -0.13 0.90 0.38 0.00 -1.18 0.00 0.00 179.01 178.97 3g0k h ALA 51 N 0.96 1.17 -0.20 2.92 0.00 -1.89 -0.10 119.26 122.13 3g0k h ALA 51 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3g0k h ALA 51 Cb 0.47 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3g0k h ALA 51 CO 0.02 0.63 0.06 1.25 0.00 0.00 0.00 179.25 181.21 3g0k h LEU 52 N 1.13 0.29 -0.41 0.00 5.85 -0.53 -1.04 115.31 120.59 3g0k h LEU 52 Ca 0.27 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.85 3g0k h LEU 52 Cb 0.12 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 3g0k h LEU 52 CO -0.03 0.42 0.08 0.11 -0.34 0.00 0.00 178.44 178.67 3g0k h LYS 53 N 0.15 0.20 -0.52 1.25 1.57 -0.64 -0.39 116.57 118.19 3g0k h LYS 53 Ca 0.06 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3g0k h LYS 53 Cb 0.23 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3g0k h LYS 53 CO -0.00 0.13 0.33 0.78 -0.57 0.00 0.00 179.45 180.12 3g0k h GLY 54 N 0.21 0.73 0.96 3.86 0.00 -0.86 -1.41 103.07 106.56 3g0k h GLY 54 Ca 0.20 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.28 3g0k h GLY 54 CO -0.26 0.24 0.20 -2.75 0.00 0.00 0.00 176.54 173.97 3g0k h PHE 55 N 0.67 0.38 -0.70 5.60 3.57 -0.73 -0.53 116.94 125.21 3g0k h PHE 55 Ca 0.20 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 3g0k h PHE 55 Cb -0.04 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3g0k h PHE 55 CO -0.05 0.23 0.26 -0.07 -2.23 0.00 0.00 178.31 176.45 3g0k h LEU 56 N 0.41 0.98 -0.75 0.59 3.38 -0.90 -0.86 115.31 118.17 3g0k h LEU 56 Ca 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3g0k h LEU 56 Cb -0.02 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3g0k h LEU 56 CO -0.04 0.90 0.42 0.44 0.09 0.00 0.00 178.44 180.24 3g0k h ASP 57 N 1.00 0.92 -0.11 -0.43 3.32 -1.04 -0.22 116.42 119.86 3g0k h ASP 57 Ca 0.23 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3g0k h ASP 57 Cb 0.24 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3g0k h ASP 57 CO -0.02 0.74 0.02 0.03 -1.72 0.00 0.00 179.24 178.30 3g0k h ARG 58 N 1.03 0.19 -0.30 3.56 3.08 -0.53 -2.05 114.38 119.36 3g0k h ARG 58 Ca 0.26 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.12 3g0k h ARG 58 Cb 0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3g0k h ARG 58 CO -0.04 0.39 -0.39 -0.24 -1.07 0.00 0.00 179.97 178.62 3g0k h VAL 59 N -0.04 1.29 -0.76 2.04 3.04 -1.13 -2.35 116.25 118.33 3g0k h VAL 59 Ca 0.03 -1.55 0.02 0.00 -1.01 0.00 0.00 66.70 64.19 3g0k h VAL 59 Cb 0.30 1.47 -0.04 0.00 -2.01 0.00 0.00 31.29 31.00 3g0k h VAL 59 CO 0.00 0.50 0.49 -0.09 -1.01 0.00 0.00 177.57 177.47 3g0k h ARG 60 N 0.59 0.95 -0.16 4.17 2.43 -0.94 -0.79 114.38 120.64 3g0k h ARG 60 Ca 0.05 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3g0k h ARG 60 Cb 0.92 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 3g0k h ARG 60 CO 0.08 0.63 -0.19 0.00 -1.51 0.00 0.00 179.97 178.99 3g0k h ALA 61 N 1.31 1.39 0.00 2.80 0.00 -1.15 -2.52 119.26 121.08 3g0k h ALA 61 Ca 0.30 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3g0k h ALA 61 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3g0k h ALA 61 CO -0.09 0.42 -0.39 0.93 0.00 0.00 0.00 179.25 180.12 3g0k h GLU 62 N 0.25 0.00 -6.57 0.00 5.08 -0.81 -3.48 114.58 109.04 3g0k h GLU 62 Ca 0.05 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.93 3g0k h GLU 62 Cb 0.48 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.75 3g0k h GLU 62 CO 0.03 0.39 -0.94 -1.13 -1.00 0.00 0.00 179.01 176.36 3g0k n SER 63 N -3.42 -4.97 -4.74 1.42 3.41 -0.38 -4.91 113.62 100.03 3g0k n SER 63 Ca 0.00 -1.03 -0.33 0.00 -0.26 0.00 0.00 58.87 57.25 3g0k n SER 63 Cb 0.56 -2.40 0.08 0.00 -0.26 0.00 0.00 64.21 62.19 3g0k n SER 63 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3g0k s PRO 64 N -5.94 2.34 -1.39 4.33 0.04 -1.26 -4.89 135.00 128.22 3g0k s PRO 64 Ca 0.30 1.55 -0.13 0.00 0.04 0.00 0.00 61.00 62.76 3g0k s PRO 64 Cb -0.14 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.60 3g0k s PRO 64 CO 0.90 -1.64 2.05 -0.25 0.04 0.00 0.00 177.00 178.10 3g0k n ASP 65 N -2.76 4.34 -4.43 6.66 8.00 -1.26 -4.92 116.55 122.18 3g0k n ASP 65 Ca 0.12 -2.92 -0.21 0.00 0.71 0.00 0.00 54.79 52.49 3g0k n ASP 65 Cb 0.51 -1.63 -0.10 0.00 -0.02 0.00 0.00 41.12 39.88 3g0k n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g0k s ALA 66 N 2.61 2.34 -0.17 2.24 0.00 -1.26 -3.32 121.76 124.21 3g0k s ALA 66 Ca 0.46 -1.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.38 3g0k s ALA 66 Cb 0.11 0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.51 3g0k s ALA 66 CO -0.04 -0.09 0.43 0.50 0.00 0.00 0.00 175.76 176.56 3g0k s ARG 67 N -3.74 0.47 -0.11 0.00 3.52 0.28 -4.99 118.95 114.37 3g0k s ARG 67 Ca 0.30 0.69 0.02 0.00 -0.13 0.00 0.00 55.73 56.61 3g0k s ARG 67 Cb 0.04 0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.59 3g0k s ARG 67 CO 0.12 -0.10 -0.15 -0.65 -0.81 0.00 0.00 175.30 173.71 3g0k s GLN 68 N 0.71 2.25 -0.17 5.12 1.11 -1.26 -0.32 119.66 127.10 3g0k s GLN 68 Ca -0.04 -0.57 0.00 0.00 0.01 0.00 0.00 55.36 54.76 3g0k s GLN 68 Cb -0.05 -1.93 0.04 0.00 -1.01 0.00 0.00 33.01 30.06 3g0k s GLN 68 CO -0.05 -0.08 -0.08 0.99 0.01 0.00 0.00 175.29 176.07 3g0k s THR 69 N 1.04 1.34 -0.13 -0.19 2.01 -0.12 -4.98 115.64 114.61 3g0k s THR 69 Ca -0.05 -0.72 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 3g0k s THR 69 Cb -0.15 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 3g0k s THR 69 CO -0.03 0.21 1.08 -0.63 -0.69 0.00 0.00 174.62 174.56 3g0k s ILE 70 N 1.54 4.60 -0.09 1.82 1.01 -1.26 -0.82 121.20 128.01 3g0k s ILE 70 Ca 0.01 1.90 0.22 0.00 0.00 0.00 0.00 60.65 62.78 3g0k s ILE 70 Cb -0.15 -4.22 -0.25 0.00 0.01 0.00 0.00 42.46 37.85 3g0k s ILE 70 CO -0.08 -0.05 0.62 1.41 0.00 0.00 0.00 174.94 176.84 3g0k n HIS 71 N 5.47 0.26 -3.55 3.97 8.25 0.50 -4.98 115.22 125.15 3g0k n HIS 71 Ca 0.10 0.08 -0.07 0.00 -0.26 0.00 0.00 57.72 57.57 3g0k n HIS 71 Cb 0.47 -0.63 -0.02 0.00 1.12 0.00 0.00 29.99 30.93 3g0k n HIS 71 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3g0k s ARG 72 N -3.46 0.61 0.02 -0.41 1.70 -1.16 -5.01 118.95 111.23 3g0k s ARG 72 Ca -0.06 -0.23 -0.20 0.00 -0.47 0.00 0.00 55.73 54.77 3g0k s ARG 72 Cb 0.13 0.28 0.04 0.00 -0.57 0.00 0.00 34.95 34.83 3g0k s ARG 72 CO 0.88 -0.27 0.45 -1.54 -1.08 0.00 0.00 175.30 173.74 3g0k s SER 73 N -2.37 -0.35 0.06 -2.89 1.04 -1.26 -1.19 113.70 106.74 3g0k s SER 73 Ca 0.07 0.16 -0.06 0.00 0.48 0.00 0.00 55.95 56.60 3g0k s SER 73 Cb -0.01 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 3g0k s SER 73 CO -0.07 -0.62 0.10 -0.36 0.98 0.00 0.00 173.24 173.27 3g0k s PHE 74 N -2.05 0.27 -0.01 5.02 0.08 0.31 -4.99 117.98 116.61 3g0k s PHE 74 Ca -0.08 -0.70 -0.00 0.00 0.12 0.00 0.00 56.93 56.27 3g0k s PHE 74 Cb -0.02 -0.17 0.01 0.00 -0.57 0.00 0.00 43.02 42.27 3g0k s PHE 74 CO 0.01 -0.45 0.02 0.54 -0.10 0.00 0.00 175.22 175.23 3g0k s VAL 75 N -3.57 -0.02 -0.27 -0.44 0.11 -1.26 -0.45 120.40 114.50 3g0k s VAL 75 Ca 0.03 0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 59.14 3g0k s VAL 75 Cb 0.04 -0.04 0.09 0.00 -1.53 0.00 0.00 36.38 34.94 3g0k s VAL 75 CO -0.09 0.03 0.07 -0.62 -3.33 0.00 0.00 175.10 171.16 3g0k s ASP 76 N 0.36 3.65 1.84 3.54 2.15 -0.11 -5.01 116.67 123.09 3g0k s ASP 76 Ca -0.03 -1.35 0.00 0.00 0.43 0.00 0.00 52.55 51.61 3g0k s ASP 76 Cb -0.04 -0.76 0.00 0.00 -0.30 0.00 0.00 42.92 41.82 3g0k s ASP 76 CO -0.01 -0.38 0.00 0.61 -0.17 0.00 0.00 175.17 175.22 3g0k n GLY 77 N 4.93 3.80 0.88 2.66 0.00 -1.26 -1.61 105.19 114.59 3g0k n GLY 77 Ca -0.05 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.15 3g0k n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g0k n ASP 78 N 9.26 2.60 -4.41 1.61 8.00 -1.26 -4.53 116.55 127.82 3g0k n ASP 78 Ca 0.00 -1.90 -0.33 0.00 0.71 0.00 0.00 54.79 53.27 3g0k n ASP 78 Cb 0.00 -0.24 -0.14 0.00 -0.02 0.00 0.00 41.12 40.72 3g0k n ASP 78 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3g0k s HIS 79 N -1.52 2.72 -0.04 1.24 3.76 -0.64 -0.73 115.29 120.07 3g0k s HIS 79 Ca 0.35 -0.43 0.06 0.00 -0.15 0.00 0.00 55.06 54.89 3g0k s HIS 79 Cb 0.19 -1.72 -0.01 0.00 1.11 0.00 0.00 32.58 32.15 3g0k s HIS 79 CO 0.27 -0.03 -0.23 0.08 -0.85 0.00 0.00 174.74 173.98 3g0k s VAL 80 N -0.20 1.88 -0.07 -0.90 1.01 0.29 -0.93 120.40 121.47 3g0k s VAL 80 Ca 0.00 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.04 3g0k s VAL 80 Cb -0.13 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 3g0k s VAL 80 CO 0.03 0.53 -0.22 -0.63 0.00 0.00 0.00 175.10 174.81 3g0k s ILE 81 N -0.26 1.84 0.08 2.22 1.09 0.40 -0.31 121.20 126.26 3g0k s ILE 81 Ca 0.01 -0.91 0.08 0.00 -1.10 0.00 0.00 60.65 58.72 3g0k s ILE 81 Cb -0.12 -1.58 -0.03 0.00 -1.06 0.00 0.00 42.46 39.67 3g0k s ILE 81 CO 0.02 0.51 -0.21 0.42 -0.10 0.00 0.00 174.94 175.58 3g0k s THR 82 N 0.20 1.71 -0.19 2.92 -4.23 -0.38 -0.53 115.64 115.13 3g0k s THR 82 Ca -0.12 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 3g0k s THR 82 Cb -0.16 -1.53 0.04 0.00 1.34 0.00 0.00 72.50 72.20 3g0k s THR 82 CO 0.06 0.05 -0.11 -2.28 -0.54 0.00 0.00 174.62 171.79 3g0k s HIS 83 N -1.02 2.40 0.04 3.99 2.46 -0.34 -1.20 115.29 121.63 3g0k s HIS 83 Ca 0.07 -1.56 0.04 0.00 0.47 0.00 0.00 55.06 54.08 3g0k s HIS 83 Cb -0.10 -1.64 -0.02 0.00 -0.13 0.00 0.00 32.58 30.69 3g0k s HIS 83 CO 0.03 -0.74 -0.12 0.95 -2.47 0.00 0.00 174.74 172.40 3g0k s THR 84 N 1.40 0.90 -0.23 0.89 -4.23 -0.02 -0.37 115.64 113.98 3g0k s THR 84 Ca -0.01 -1.02 -0.07 0.00 -1.18 0.00 0.00 61.69 59.42 3g0k s THR 84 Cb -0.16 -0.86 -0.03 0.00 1.34 0.00 0.00 72.50 72.80 3g0k s THR 84 CO -0.08 -0.14 0.05 -2.28 -0.54 0.00 0.00 174.62 171.63 3g0k s HIS 85 N -1.01 3.08 -0.22 3.99 2.46 0.00 -1.20 115.29 122.38 3g0k s HIS 85 Ca -0.02 -0.44 -0.05 0.00 0.47 0.00 0.00 55.06 55.02 3g0k s HIS 85 Cb -0.08 -2.19 -0.02 0.00 -0.13 0.00 0.00 32.58 30.15 3g0k s HIS 85 CO 0.01 -0.32 0.01 0.08 -2.47 0.00 0.00 174.74 172.05 3g0k s VAL 86 N 1.43 3.90 -0.16 0.89 1.01 0.15 -0.94 120.40 126.68 3g0k s VAL 86 Ca 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3g0k s VAL 86 Cb -0.15 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3g0k s VAL 86 CO 0.03 0.40 -0.12 -1.61 0.00 0.00 0.00 175.10 173.80 3g0k s GLU 87 N 1.36 3.35 -0.02 2.72 2.02 0.56 -0.44 118.70 128.25 3g0k s GLU 87 Ca 0.04 -0.68 0.22 0.00 0.02 0.00 0.00 54.97 54.57 3g0k s GLU 87 Cb -0.15 -2.72 -0.32 0.00 0.10 0.00 0.00 34.13 31.05 3g0k s GLU 87 CO 0.01 0.08 0.55 0.54 0.02 0.00 0.00 175.26 176.46 3g0k n ARG 88 N 3.91 0.56 -3.64 1.61 1.74 -1.26 -0.56 116.66 119.02 3g0k n ARG 88 Ca -0.18 -0.17 -0.08 0.00 -0.77 0.00 0.00 57.85 56.64 3g0k n ARG 88 Cb 0.52 -1.52 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 3g0k n ARG 88 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 3g0k s TRP 89 N -3.44 -0.33 0.25 -1.55 -2.14 -1.21 -4.36 118.94 106.16 3g0k s TRP 89 Ca -0.06 0.02 -0.31 0.00 2.66 0.00 0.00 56.10 58.42 3g0k s TRP 89 Cb 0.14 0.62 -0.11 0.00 -3.10 0.00 0.00 33.47 31.02 3g0k s TRP 89 CO 0.90 -0.95 1.63 -2.14 -2.66 0.00 0.00 176.95 173.73 3g0k s PRO 90 N -3.66 4.14 0.00 3.25 0.02 -1.24 -1.55 135.00 135.96 3g0k s PRO 90 Ca 0.07 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.64 3g0k s PRO 90 Cb -0.03 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3g0k s PRO 90 CO -0.03 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.39 3g0k n GLY 91 N 2.93 1.69 3.68 0.52 0.00 -1.26 -5.01 105.19 107.74 3g0k n GLY 91 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3g0k n GLY 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g0k s ASP 92 N -3.15 6.56 0.35 1.61 2.15 -0.59 -4.87 116.67 118.73 3g0k s ASP 92 Ca 0.00 2.51 0.07 0.00 0.43 0.00 0.00 52.55 55.56 3g0k s ASP 92 Cb 0.00 -2.55 0.75 0.00 -0.30 0.00 0.00 42.92 40.82 3g0k s ASP 92 CO 0.00 -0.94 1.90 0.00 -0.17 0.00 0.00 175.17 175.96 3g0k h ALA 93 N 8.99 1.74 0.00 3.66 0.00 -1.90 -3.45 119.26 128.30 3g0k h ALA 93 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3g0k h ALA 93 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3g0k h ALA 93 CO 0.94 0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.66 3g0k n GLY 94 N -1.43 -1.82 3.35 0.00 0.00 -1.26 -4.67 105.19 99.35 3g0k n GLY 94 Ca 0.15 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 3g0k n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g0k s LEU 95 N 0.00 2.17 -0.20 0.99 1.43 0.42 -0.90 118.68 122.60 3g0k s LEU 95 Ca 0.00 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.47 3g0k s LEU 95 Cb 0.00 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 3g0k s LEU 95 CO 0.00 0.27 0.08 0.00 0.23 0.00 0.00 176.35 176.93 3g0k s ALA 96 N -0.77 3.40 -0.06 4.21 0.00 0.40 -0.67 121.76 128.27 3g0k s ALA 96 Ca 0.12 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.26 3g0k s ALA 96 Cb -0.10 -2.01 0.02 0.00 0.00 0.00 0.00 23.12 21.03 3g0k s ALA 96 CO 0.02 0.02 -0.07 0.08 0.00 0.00 0.00 175.76 175.81 3g0k s VAL 97 N 0.66 0.76 -0.19 0.00 1.01 -0.34 -1.14 120.40 121.16 3g0k s VAL 97 Ca 0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 3g0k s VAL 97 Cb -0.13 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 3g0k s VAL 97 CO 0.02 0.28 -0.00 -0.69 0.00 0.00 0.00 175.10 174.70 3g0k s VAL 98 N 0.95 3.99 -0.07 2.92 1.01 -0.68 -0.84 120.40 127.69 3g0k s VAL 98 Ca -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3g0k s VAL 98 Cb -0.15 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3g0k s VAL 98 CO 0.00 0.44 -0.03 -1.81 0.00 0.00 0.00 175.10 173.71 3g0k s ASP 99 N 0.84 5.00 -0.12 3.32 1.01 -0.34 -1.47 116.67 124.91 3g0k s ASP 99 Ca 0.01 0.07 0.03 0.00 0.71 0.00 0.00 52.55 53.36 3g0k s ASP 99 Cb -0.14 -1.34 0.01 0.00 1.01 0.00 0.00 42.92 42.45 3g0k s ASP 99 CO 0.02 0.36 -0.22 -0.63 0.21 0.00 0.00 175.17 174.91 3g0k s ILE 100 N -0.87 2.00 -0.07 0.77 1.01 0.19 -1.25 121.20 122.98 3g0k s ILE 100 Ca 0.13 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.87 3g0k s ILE 100 Cb -0.11 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 3g0k s ILE 100 CO 0.03 0.54 -0.22 -0.36 0.00 0.00 0.00 174.94 174.93 3g0k s PHE 101 N 0.63 2.53 -0.16 3.97 0.40 0.58 -0.77 117.98 125.15 3g0k s PHE 101 Ca -0.12 -0.63 -0.06 0.00 -0.60 0.00 0.00 56.93 55.51 3g0k s PHE 101 Cb -0.17 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 3g0k s PHE 101 CO 0.03 -0.16 0.04 0.50 0.70 0.00 0.00 175.22 176.33 3g0k s ARG 102 N -0.18 3.79 -0.13 0.44 3.52 -0.28 -0.55 118.95 125.56 3g0k s ARG 102 Ca -0.02 -0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 55.18 3g0k s ARG 102 Cb -0.14 -3.11 -0.03 0.00 -1.56 0.00 0.00 34.95 30.12 3g0k s ARG 102 CO 0.04 0.34 -0.06 0.08 -0.81 0.00 0.00 175.30 174.88 3g0k s VAL 103 N 0.17 3.67 -0.05 7.11 1.01 0.09 -0.92 120.40 131.48 3g0k s VAL 103 Ca 0.03 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 3g0k s VAL 103 Cb -0.13 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.71 3g0k s VAL 103 CO 0.01 0.52 0.10 -0.70 0.00 0.00 0.00 175.10 175.03 3g0k s GLU 104 N 0.10 0.06 -1.45 2.72 2.12 -1.26 -4.81 118.70 116.17 3g0k s GLU 104 Ca -0.02 0.26 -0.08 0.00 0.36 0.00 0.00 54.97 55.49 3g0k s GLU 104 Cb -0.14 -0.15 0.04 0.00 0.26 0.00 0.00 34.13 34.14 3g0k s GLU 104 CO 0.03 -0.13 0.68 0.41 -0.54 0.00 0.00 175.26 175.71 3g0k n GLY 105 N 3.95 -0.51 2.67 -1.50 0.00 -1.26 -4.69 105.19 103.84 3g0k n GLY 105 Ca -0.24 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 3g0k n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g0k n GLY 106 N -1.49 -0.47 3.49 -0.02 0.00 -1.26 -5.17 105.19 100.26 3g0k n GLY 106 Ca -0.05 0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 3g0k n GLY 106 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g0k s ILE 108 N -3.26 4.44 -0.18 -0.61 1.01 0.39 -4.90 121.20 118.09 3g0k s ILE 108 Ca 0.31 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.86 3g0k s ILE 108 Cb -0.04 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 3g0k s ILE 108 CO 0.49 0.36 0.17 1.33 0.00 0.00 0.00 174.94 177.29 3g0k n VAL 109 N 4.65 0.00 -3.57 2.92 0.24 -0.10 -1.14 118.33 121.33 3g0k n VAL 109 Ca -0.16 -0.43 -0.17 0.00 -2.04 0.00 0.00 64.34 61.55 3g0k n VAL 109 Cb 0.52 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.83 3g0k n VAL 109 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3g0k s GLU 110 N -1.26 0.96 -0.11 7.34 2.12 -1.20 -1.31 118.70 125.25 3g0k s GLU 110 Ca 0.01 0.41 -0.10 0.00 0.36 0.00 0.00 54.97 55.65 3g0k s GLU 110 Cb 0.03 0.46 0.03 0.00 0.26 0.00 0.00 34.13 34.90 3g0k s GLU 110 CO 0.13 -0.26 0.30 -1.58 -0.54 0.00 0.00 175.26 173.31 3g0k s HIS 111 N -0.79 -0.34 0.15 5.30 5.65 -0.39 -1.13 115.29 123.73 3g0k s HIS 111 Ca -0.08 0.83 0.07 0.00 0.25 0.00 0.00 55.06 56.12 3g0k s HIS 111 Cb -0.02 0.11 -0.04 0.00 -1.18 0.00 0.00 32.58 31.46 3g0k s HIS 111 CO 0.07 -0.17 -0.15 -1.58 -0.65 0.00 0.00 174.74 172.26 3g0k s TRP 112 N 0.31 1.52 0.21 3.88 0.51 0.05 -0.83 118.94 124.60 3g0k s TRP 112 Ca -0.01 -0.56 -0.11 0.00 -2.12 0.00 0.00 56.10 53.30 3g0k s TRP 112 Cb -0.03 -0.77 -0.01 0.00 -0.81 0.00 0.00 33.47 31.85 3g0k s TRP 112 CO -0.01 0.21 0.40 0.16 -0.51 0.00 0.00 176.95 177.20 3g0k s ASP 113 N -2.70 -0.05 -0.01 2.95 1.47 -1.26 -0.64 116.67 116.44 3g0k s ASP 113 Ca 0.13 -0.91 0.01 0.00 1.18 0.00 0.00 52.55 52.96 3g0k s ASP 113 Cb -0.04 0.52 0.01 0.00 -0.34 0.00 0.00 42.92 43.07 3g0k s ASP 113 CO 0.04 -1.04 -0.02 0.68 0.68 0.00 0.00 175.17 175.51 3g0k s VAL 114 N -4.00 0.22 -0.09 2.11 -7.23 -0.54 -4.85 120.40 106.02 3g0k s VAL 114 Ca 0.21 -0.07 0.01 0.00 -1.81 0.00 0.00 61.98 60.32 3g0k s VAL 114 Cb 0.01 -0.22 0.02 0.00 0.56 0.00 0.00 36.38 36.75 3g0k s VAL 114 CO 0.06 0.09 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.21 3g0k s ILE 115 N 0.22 1.05 -0.01 -0.62 1.01 -1.26 -1.68 121.20 119.90 3g0k s ILE 115 Ca -0.02 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.29 3g0k s ILE 115 Cb -0.05 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 3g0k s ILE 115 CO -0.01 0.36 -0.06 -1.58 0.00 0.00 0.00 174.94 173.65 3g0k s GLN 116 N 1.24 0.59 0.31 2.79 0.74 -0.29 -5.00 119.66 120.04 3g0k s GLN 116 Ca -0.04 -0.22 -0.29 0.00 0.05 0.00 0.00 55.36 54.86 3g0k s GLN 116 Cb -0.14 -0.57 -0.11 0.00 1.10 0.00 0.00 33.01 33.29 3g0k s GLN 116 CO -0.03 0.11 1.46 -0.51 -0.55 0.00 0.00 175.29 175.77 3g0k s ASP 117 N -0.00 6.53 -0.04 6.67 1.01 -1.26 -0.46 116.67 129.12 3g0k s ASP 117 Ca 0.00 2.84 -0.30 0.00 0.71 0.00 0.00 52.55 55.80 3g0k s ASP 117 Cb -0.04 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.19 3g0k s ASP 117 CO -0.00 -0.76 1.45 -0.69 0.21 0.00 0.00 175.17 175.38 3g0k s VAL 118 N -0.57 3.76 0.21 -1.27 1.01 -0.07 -4.80 120.40 118.65 3g0k s VAL 118 Ca 0.56 1.05 -0.32 0.00 0.00 0.00 0.00 61.98 63.27 3g0k s VAL 118 Cb -0.44 -3.68 -0.13 0.00 0.00 0.00 0.00 36.38 32.14 3g0k s VAL 118 CO 0.52 -0.04 1.64 -2.65 0.00 0.00 0.00 175.10 174.57 3g0k n PRO 119 N 6.06 2.52 -0.05 2.72 -0.02 -1.26 -4.71 135.00 140.27 3g0k n PRO 119 Ca 0.14 0.91 -0.12 0.00 -2.02 0.00 0.00 63.50 62.41 3g0k n PRO 119 Cb 0.43 -2.71 -0.06 0.00 -0.02 0.00 0.00 33.50 31.14 3g0k n PRO 119 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g0k h ALA 120 N 6.05 0.19 -2.19 3.55 0.00 -1.98 -3.37 119.26 121.51 3g0k h ALA 120 Ca -0.44 -0.20 -0.67 0.00 0.00 0.00 0.00 54.91 53.59 3g0k h ALA 120 Cb 1.23 -0.05 -0.37 0.00 0.00 0.00 0.00 17.79 18.59 3g0k h ALA 120 CO 0.90 -0.09 -0.14 0.09 0.00 0.00 0.00 179.25 180.01 3g0k n ASN 121 N -4.75 4.58 -4.77 0.00 3.02 -1.26 -5.08 115.26 107.00 3g0k n ASN 121 Ca -0.06 -3.41 -0.39 0.00 -0.03 0.00 0.00 54.58 50.70 3g0k n ASN 121 Cb 0.23 -0.88 -0.03 0.00 -0.61 0.00 0.00 39.78 38.48 3g0k n ASN 121 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3g0k s PRO 122 N -2.46 4.32 0.04 3.52 0.04 -1.26 -4.96 135.00 134.24 3g0k s PRO 122 Ca 0.36 1.78 -0.16 0.00 0.04 0.00 0.00 61.00 63.02 3g0k s PRO 122 Cb 0.10 -2.87 -0.31 0.00 0.04 0.00 0.00 34.50 31.46 3g0k s PRO 122 CO 0.01 -0.07 1.06 0.28 0.04 0.00 0.00 177.00 178.32 3g0k h VAL 123 N 2.63 1.29 -3.10 -0.36 2.07 -1.98 -3.46 116.25 113.35 3g0k h VAL 123 Ca -0.48 -2.52 -0.54 0.00 0.82 0.00 0.00 66.70 63.98 3g0k h VAL 123 Cb 1.22 2.82 -0.00 0.00 -1.52 0.00 0.00 31.29 33.81 3g0k h VAL 123 CO 0.64 0.76 0.65 0.21 0.02 0.00 0.00 177.57 179.86 3g0k s ASN 124 N -7.44 7.01 0.43 0.57 3.84 -1.26 -4.91 114.94 113.18 3g0k s ASN 124 Ca -0.10 2.01 0.29 0.00 0.21 0.00 0.00 52.86 55.28 3g0k s ASN 124 Cb 0.05 -2.57 1.12 0.00 -0.55 0.00 0.00 41.25 39.30 3g0k s ASN 124 CO 0.93 -0.55 1.85 1.55 -2.79 0.00 0.00 177.10 178.09 3g0k h PRO 125 N 7.12 0.00 -6.74 0.43 0.13 -2.04 -3.43 132.00 127.46 3g0k h PRO 125 Ca -0.39 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.25 3g0k h PRO 125 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 3g0k h PRO 125 CO 0.85 0.00 0.18 -0.80 -0.23 0.00 0.00 178.00 178.00 3g0k s ASN 126 N -5.20 7.00 0.00 1.44 0.01 -1.26 -5.21 114.94 111.72 3g0k s ASN 126 Ca 0.03 1.49 0.00 0.00 -0.71 0.00 0.00 52.86 53.67 3g0k s ASN 126 Cb 0.09 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.30 3g0k s ASN 126 CO 0.51 -0.11 0.00 -0.24 -1.51 0.00 0.00 177.10 175.74 3g0k n SER 127 N 0.16 0.00 0.00 -1.22 2.88 -1.26 -5.10 113.62 109.09 3g0k n SER 127 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 3g0k n SER 127 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 3g0k n SER 127 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30