#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbb n GLY 34 N 0.13 0.55 0.28 0.00 0.00 -1.26 -4.92 105.19 99.97 2gbb n GLY 34 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.03 2gbb n GLY 34 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2gbb n GLN 35 N -2.61 0.72 -0.05 1.61 -0.06 -1.26 -4.49 117.38 111.24 2gbb n GLN 35 Ca -0.20 -0.56 -0.13 0.00 -2.00 0.00 0.00 57.00 54.11 2gbb n GLN 35 Cb 0.64 -1.49 -0.07 0.00 -4.06 0.00 0.00 30.24 25.26 2gbb n GLN 35 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 2gbb h THR 36 N 1.36 1.34 -0.74 1.69 2.02 -1.90 -3.22 112.91 113.46 2gbb h THR 36 Ca 0.00 -1.25 0.06 0.00 0.77 0.00 0.00 66.41 65.99 2gbb h THR 36 Cb 0.62 1.86 -0.06 0.00 -1.74 0.00 0.00 68.15 68.84 2gbb h THR 36 CO 0.00 0.36 0.43 0.00 0.37 0.00 0.00 175.52 176.69 2gbb h ALA 37 N 0.62 1.01 -0.52 6.16 0.00 -1.99 -1.53 119.26 123.01 2gbb h ALA 37 Ca 0.02 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2gbb h ALA 37 Cb 0.63 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2gbb h ALA 37 CO 0.03 0.13 0.35 -1.35 0.00 0.00 0.00 179.25 178.41 2gbb h PRO 38 N 0.79 0.42 -0.14 0.00 0.11 -1.82 -0.71 132.00 130.64 2gbb h PRO 38 Ca 0.33 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 66.20 2gbb h PRO 38 Cb 0.20 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.22 2gbb h PRO 38 CO -0.18 0.28 -0.77 -0.07 -0.21 0.00 0.00 178.00 177.05 2gbb h LEU 39 N 0.43 0.86 -0.66 2.35 3.38 -1.34 -1.62 115.31 118.71 2gbb h LEU 39 Ca 0.23 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 57.71 2gbb h LEU 39 Cb 0.35 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 2gbb h LEU 39 CO -0.06 1.35 0.35 0.40 0.09 0.00 0.00 178.44 180.56 2gbb h ILE 40 N 0.49 0.93 -0.19 1.22 2.04 -0.88 -2.00 117.51 119.12 2gbb h ILE 40 Ca -0.05 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 2gbb h ILE 40 Cb 1.38 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2gbb h ILE 40 CO 0.15 0.11 0.03 -1.13 0.00 0.00 0.00 178.15 177.32 2gbb h ASN 41 N 0.63 0.31 -1.01 1.72 -1.24 -1.00 -2.70 115.58 112.29 2gbb h ASN 41 Ca 0.30 -0.26 0.23 0.00 0.71 0.00 0.00 56.30 57.27 2gbb h ASN 41 Cb 0.23 -0.08 -0.11 0.00 0.73 0.00 0.00 38.32 39.09 2gbb h ASN 41 CO -0.21 0.49 0.61 -0.33 -1.29 0.00 0.00 177.43 176.70 2gbb h GLU 42 N 0.11 0.62 -0.68 6.67 5.08 -0.99 -2.10 114.58 123.29 2gbb h GLU 42 Ca 0.06 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2gbb h GLU 42 Cb 0.32 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2gbb h GLU 42 CO 0.00 0.41 0.16 -0.09 -1.00 0.00 0.00 179.01 178.50 2gbb h ARG 43 N 0.64 1.08 0.00 2.33 2.43 -1.04 -2.35 114.38 117.47 2gbb h ARG 43 Ca 0.62 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.50 2gbb h ARG 43 Cb 1.12 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2gbb h ARG 43 CO -0.42 0.95 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.77 2gbb h LEU 44 N 1.03 0.00 -0.23 3.80 3.38 -1.25 -2.88 115.31 119.16 2gbb h LEU 44 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2gbb h LEU 44 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2gbb h LEU 44 CO 0.00 0.15 0.00 -1.54 0.09 0.00 0.00 178.44 177.14 2gbb n SER 45 N -3.30 0.16 -3.57 -0.43 3.41 -0.88 -4.55 113.62 104.45 2gbb n SER 45 Ca 0.00 0.55 -0.41 0.00 -0.26 0.00 0.00 58.87 58.76 2gbb n SER 45 Cb 0.39 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2gbb n SER 45 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2gbb n TYR 46 N -1.68 2.65 0.00 7.33 4.01 -1.09 -4.75 117.16 123.63 2gbb n TYR 46 Ca 0.02 -2.77 0.00 0.00 -0.16 0.00 0.00 57.90 54.99 2gbb n TYR 46 Cb 0.13 -1.74 0.00 0.00 -0.31 0.00 0.00 39.34 37.42 2gbb n TYR 46 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2gbb n LYS 48 N 1.73 0.00 -0.14 -0.72 4.81 -1.26 -2.58 118.16 119.99 2gbb n LYS 48 Ca 0.56 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.89 2gbb n LYS 48 Cb 0.27 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.30 2gbb n LYS 48 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2gbb h ASP 49 N 0.00 0.81 0.25 3.14 3.32 -1.96 -0.30 116.42 121.68 2gbb h ASP 49 Ca 0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 2gbb h ASP 49 Cb 0.00 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.33 2gbb h ASP 49 CO 0.00 0.98 -0.12 0.58 -1.72 0.00 0.00 179.24 178.96 2gbb h VAL 50 N 0.63 0.78 -0.39 -1.35 2.07 -1.85 -1.57 116.25 114.58 2gbb h VAL 50 Ca 0.11 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.55 2gbb h VAL 50 Cb 0.63 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 2gbb h VAL 50 CO 0.04 0.03 -0.15 0.00 0.02 0.00 0.00 177.57 177.52 2gbb h ALA 51 N 0.33 0.18 -0.39 1.67 0.00 -1.86 -0.75 119.26 118.44 2gbb h ALA 51 Ca -0.03 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2gbb h ALA 51 Cb 0.31 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2gbb h ALA 51 CO 0.06 -0.51 0.18 0.78 0.00 0.00 0.00 179.25 179.76 2gbb h GLY 52 N -0.07 0.52 0.84 0.00 0.00 -0.98 0.17 103.07 103.55 2gbb h GLY 52 Ca 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2gbb h GLY 52 CO -0.44 0.09 0.04 -1.82 0.00 0.00 0.00 176.54 174.41 2gbb h TYR 53 N 0.38 0.31 -0.93 5.60 5.03 -0.94 -0.18 116.97 126.24 2gbb h TYR 53 Ca 0.17 -0.04 0.09 0.00 2.58 0.00 0.00 58.73 61.52 2gbb h TYR 53 Cb 0.08 -0.09 -0.07 0.00 1.55 0.00 0.00 36.73 38.21 2gbb h TYR 53 CO -0.11 0.43 0.58 0.87 -1.32 0.00 0.00 178.16 178.61 2gbb h LYS 54 N 0.10 0.96 -0.03 1.82 1.57 -1.06 -2.37 116.57 117.57 2gbb h LYS 54 Ca 0.06 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2gbb h LYS 54 Cb 0.27 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2gbb h LYS 54 CO 0.00 0.64 0.01 0.00 -0.57 0.00 0.00 179.45 179.53 2gbb h ALA 55 N 1.47 0.04 -0.85 3.86 0.00 -0.04 0.49 119.26 124.22 2gbb h ALA 55 Ca 0.43 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.35 2gbb h ALA 55 Cb 0.30 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2gbb h ALA 55 CO -0.21 -0.38 0.55 0.93 0.00 0.00 0.00 179.25 180.14 2gbb h GLU 56 N -0.10 0.78 -0.54 0.00 5.08 -0.86 -2.61 114.58 116.32 2gbb h GLU 56 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2gbb h GLU 56 Cb 0.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2gbb h GLU 56 CO -0.00 0.51 0.00 0.09 -1.00 0.00 0.00 179.01 178.61 2gbb n ASN 57 N -4.52 3.60 -3.84 1.42 3.02 -0.91 -4.96 115.26 109.07 2gbb n ASN 57 Ca 0.14 -1.98 -0.24 0.00 -0.03 0.00 0.00 54.58 52.48 2gbb n ASN 57 Cb 0.32 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 2gbb n ASN 57 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2gbb n HIS 58 N 1.43 -1.78 -3.61 3.10 8.25 -0.32 -4.98 115.22 117.30 2gbb n HIS 58 Ca 0.21 0.79 -0.36 0.00 -0.26 0.00 0.00 57.72 58.10 2gbb n HIS 58 Cb 0.58 -4.03 -0.06 0.00 1.12 0.00 0.00 29.99 27.61 2gbb n HIS 58 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2gbb s LEU 59 N -6.85 4.39 0.68 2.41 1.43 0.16 -5.02 118.68 115.87 2gbb s LEU 59 Ca 0.03 0.78 -0.14 0.00 -1.03 0.00 0.00 54.13 53.77 2gbb s LEU 59 Cb -0.02 -2.75 0.01 0.00 0.03 0.00 0.00 46.19 43.47 2gbb s LEU 59 CO 0.85 0.25 1.11 -2.84 0.23 0.00 0.00 176.35 175.95 2gbb s PRO 60 N -1.58 2.71 0.07 1.29 0.02 -1.26 -4.64 135.00 131.61 2gbb s PRO 60 Ca 0.28 1.35 -0.18 0.00 0.02 0.00 0.00 61.00 62.47 2gbb s PRO 60 Cb -0.14 -1.94 -0.11 0.00 0.02 0.00 0.00 34.50 32.32 2gbb s PRO 60 CO 0.15 -1.31 1.39 0.82 -0.33 0.00 0.00 177.00 177.72 2gbb h ILE 61 N -0.16 1.32 -3.35 2.83 1.08 -1.97 -3.42 117.51 113.85 2gbb h ILE 61 Ca -0.46 -1.35 -0.57 0.00 -0.39 0.00 0.00 64.86 62.09 2gbb h ILE 61 Cb 1.24 1.71 -0.06 0.00 -3.07 0.00 0.00 36.82 36.64 2gbb h ILE 61 CO 0.54 0.41 0.25 -0.70 -0.69 0.00 0.00 178.15 177.96 2gbb s GLU 62 N -4.37 4.35 -0.35 2.37 2.12 -1.26 -4.99 118.70 116.57 2gbb s GLU 62 Ca -0.13 0.94 0.01 0.00 0.36 0.00 0.00 54.97 56.15 2gbb s GLU 62 Cb 0.07 -3.52 0.11 0.00 0.26 0.00 0.00 34.13 31.04 2gbb s GLU 62 CO 0.79 -0.17 0.13 0.34 -0.54 0.00 0.00 175.26 175.81 2gbb s ASP 63 N 1.03 4.02 0.24 -1.70 -1.08 -1.26 -5.03 116.67 112.89 2gbb s ASP 63 Ca 0.38 -2.02 -0.06 0.00 -0.52 0.00 0.00 52.55 50.33 2gbb s ASP 63 Cb -0.17 -1.03 0.25 0.00 -1.46 0.00 0.00 42.92 40.52 2gbb s ASP 63 CO 0.15 -0.36 1.85 0.03 0.52 0.00 0.00 175.17 177.35 2gbb h ARG 64 N 7.60 1.17 -0.22 4.34 3.08 -1.99 -1.29 114.38 127.07 2gbb h ARG 64 Ca -0.08 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 59.68 2gbb h ARG 64 Cb 0.99 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 2gbb h ARG 64 CO 0.48 0.89 -0.40 -0.84 -1.07 0.00 0.00 179.97 179.03 2gbb h ILE 65 N 1.16 1.30 -0.48 2.04 -0.00 -1.99 -0.60 117.51 118.95 2gbb h ILE 65 Ca 0.28 -1.55 -0.08 0.00 -0.00 0.00 0.00 64.86 63.52 2gbb h ILE 65 Cb 0.09 1.57 -0.02 0.00 -0.00 0.00 0.00 36.82 38.46 2gbb h ILE 65 CO -0.04 0.48 0.00 -0.61 -0.00 0.00 0.00 178.15 177.99 2gbb h GLN 66 N 0.42 0.84 -0.69 0.16 5.75 -1.87 -1.84 115.11 117.88 2gbb h GLN 66 Ca 0.04 -0.27 -0.04 0.00 -0.15 0.00 0.00 58.65 58.23 2gbb h GLN 66 Cb 0.88 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.32 2gbb h GLN 66 CO 0.07 0.89 0.27 0.93 -2.65 0.00 0.00 178.83 178.34 2gbb h GLU 67 N 0.70 1.02 -0.35 1.69 5.08 -0.95 -1.33 114.58 120.44 2gbb h GLU 67 Ca 0.14 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 2gbb h GLU 67 Cb 0.51 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2gbb h GLU 67 CO 0.02 0.84 -0.32 0.93 -1.00 0.00 0.00 179.01 179.48 2gbb h GLU 68 N 1.00 0.77 -0.58 2.33 4.39 -0.96 0.28 114.58 121.81 2gbb h GLU 68 Ca 0.23 -0.36 0.03 0.00 0.34 0.00 0.00 59.36 59.60 2gbb h GLU 68 Cb 0.20 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2gbb h GLU 68 CO -0.02 0.98 0.34 0.87 -1.16 0.00 0.00 179.01 180.03 2gbb h LYS 69 N 0.65 0.65 0.16 2.33 1.57 -1.10 0.47 116.57 121.30 2gbb h LYS 69 Ca 0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2gbb h LYS 69 Cb 0.85 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2gbb h LYS 69 CO 0.07 0.43 -0.12 0.28 -0.57 0.00 0.00 179.45 179.55 2gbb h VAL 70 N 0.67 0.74 -0.51 0.50 2.07 -0.94 -2.28 116.25 116.50 2gbb h VAL 70 Ca 0.24 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.72 2gbb h VAL 70 Cb 0.04 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2gbb h VAL 70 CO -0.11 0.00 0.16 0.40 0.02 0.00 0.00 177.57 178.04 2gbb h ILE 71 N -0.28 1.23 -0.94 4.57 2.04 -0.73 -2.01 117.51 121.38 2gbb h ILE 71 Ca -0.01 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.12 2gbb h ILE 71 Cb 0.25 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 2gbb h ILE 71 CO -0.00 0.28 0.61 0.78 0.00 0.00 0.00 178.15 179.82 2gbb h ASN 72 N 0.69 1.02 -0.32 1.72 2.35 -0.96 -3.16 115.58 116.92 2gbb h ASN 72 Ca 0.16 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.73 2gbb h ASN 72 Cb 0.27 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 2gbb h ASN 72 CO -0.01 0.71 -0.48 0.28 -1.65 0.00 0.00 177.43 176.28 2gbb h SER 73 N 1.19 0.98 0.00 5.81 0.02 -1.14 -1.69 113.55 118.73 2gbb h SER 73 Ca 0.37 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2gbb h SER 73 Cb -0.01 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.25 2gbb h SER 73 CO -0.12 1.30 0.00 0.00 -1.14 0.00 0.00 176.83 176.87 2gbb n ALA 74 N -2.56 0.95 0.00 3.77 0.00 -0.78 -0.68 120.51 121.21 2gbb n ALA 74 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2gbb n ALA 74 Cb 0.59 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.17 2gbb n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gbb n ALA 76 N 0.52 0.00 -0.05 0.00 0.00 -0.64 0.04 120.51 120.39 2gbb n ALA 76 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2gbb n ALA 76 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2gbb n ALA 76 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2gbb h GLN 77 N 0.00 -0.04 -0.64 0.00 4.15 -1.16 -1.21 115.11 116.21 2gbb h GLN 77 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.55 2gbb h GLN 77 Cb 0.00 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 2gbb h GLN 77 CO 0.00 -0.03 0.43 0.00 -1.93 0.00 0.00 178.83 177.31 2gbb h ALA 78 N 1.16 2.13 0.23 3.38 0.00 -0.62 -2.10 119.26 123.43 2gbb h ALA 78 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2gbb h ALA 78 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2gbb h ALA 78 CO -0.25 -0.29 -0.11 1.05 0.00 0.00 0.00 179.25 179.65 2gbb h GLU 79 N 0.34 -0.29 -1.00 0.00 4.11 -1.40 0.14 114.58 116.48 2gbb h GLU 79 Ca 0.30 0.02 0.15 0.00 0.07 0.00 0.00 59.36 59.90 2gbb h GLU 79 Cb 0.72 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.95 2gbb h GLU 79 CO -0.08 0.01 0.61 0.77 0.07 0.00 0.00 179.01 180.40 2gbb h SER 80 N -0.61 0.85 1.00 3.06 0.02 -1.10 -2.44 113.55 114.34 2gbb h SER 80 Ca -0.03 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2gbb h SER 80 Cb 0.44 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2gbb h SER 80 CO 0.05 0.39 0.00 0.18 -1.14 0.00 0.00 176.83 176.31 2gbb n LEU 81 N -4.69 0.07 0.00 5.07 4.77 -0.82 -4.91 117.00 116.49 2gbb n LEU 81 Ca 0.21 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 2gbb n LEU 81 Cb 0.45 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2gbb n LEU 81 CO 0.25 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2gbb n GLY 82 N 1.36 1.04 3.87 -0.72 0.00 -0.92 -4.98 105.19 104.84 2gbb n GLY 82 Ca 0.07 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 2gbb n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbb s LEU 83 N 0.00 4.31 -0.77 0.99 1.43 0.00 0.29 118.68 124.92 2gbb s LEU 83 Ca 0.00 0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 53.25 2gbb s LEU 83 Cb 0.00 -2.17 -0.09 0.00 0.03 0.00 0.00 46.19 43.96 2gbb s LEU 83 CO 0.00 0.37 2.19 0.20 0.23 0.00 0.00 176.35 179.34 2gbb s ASN 84 N -1.24 4.54 0.00 2.29 0.01 -0.06 -4.19 114.94 116.29 2gbb s ASN 84 Ca 0.18 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 2gbb s ASN 84 Cb -0.12 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.99 2gbb s ASN 84 CO 0.07 -3.21 0.00 0.61 -1.51 0.00 0.00 177.10 173.07 2gbb n GLY 85 N 6.61 2.06 0.10 0.66 0.00 -1.26 -0.38 105.19 112.98 2gbb n GLY 85 Ca 0.40 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 2gbb n GLY 85 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2gbb h GLU 86 N 0.00 0.21 0.00 1.61 4.81 -1.96 -3.28 114.58 115.96 2gbb h GLU 86 Ca 0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2gbb h GLU 86 Cb 0.00 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2gbb h GLU 86 CO 0.00 1.12 0.00 0.66 -0.73 0.00 0.00 179.01 180.06 2gbb h SER 87 N 0.07 0.00 0.32 1.04 4.64 -1.03 -3.28 113.55 115.31 2gbb h SER 87 Ca -0.09 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.90 2gbb h SER 87 Cb 1.82 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.92 2gbb h SER 87 CO 0.17 0.00 -1.61 0.40 -0.87 0.00 0.00 176.83 174.92 2gbb h ILE 88 N 0.00 1.09 -0.75 0.95 1.08 -1.46 -3.38 117.51 115.04 2gbb h ILE 88 Ca 0.00 -2.67 0.16 0.00 -0.39 0.00 0.00 64.86 61.96 2gbb h ILE 88 Cb 0.49 2.81 -0.11 0.00 -3.07 0.00 0.00 36.82 36.95 2gbb h ILE 88 CO 0.00 0.84 0.21 0.50 -0.69 0.00 0.00 178.15 179.01 2gbb h LYS 89 N 0.10 0.29 -0.12 2.37 3.64 -1.66 -1.96 116.57 119.23 2gbb h LYS 89 Ca -0.29 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 2gbb h LYS 89 Cb 2.08 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.82 2gbb h LYS 89 CO 0.19 0.19 -0.10 -1.35 -2.27 0.00 0.00 179.45 176.11 2gbb h PRO 90 N 0.30 0.18 -0.61 1.90 0.11 -1.77 -0.33 132.00 131.78 2gbb h PRO 90 Ca 0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2gbb h PRO 90 Cb 0.72 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2gbb h PRO 90 CO -0.50 0.29 0.00 -0.11 -0.21 0.00 0.00 178.00 177.48 2gbb n LEU 91 N -4.33 0.57 0.00 2.35 0.00 -0.74 -0.43 117.00 114.43 2gbb n LEU 91 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 56.01 55.71 2gbb n LEU 91 Cb 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 43.42 43.43 2gbb n LEU 91 CO 0.37 0.13 0.00 0.52 0.00 0.00 0.00 177.39 178.41 2gbb n VAL 93 N 0.36 0.00 -0.34 1.96 0.31 -0.14 -1.20 118.33 119.29 2gbb n VAL 93 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2gbb n VAL 93 Cb 0.13 0.00 0.21 0.00 -0.91 0.00 0.00 33.84 33.27 2gbb n VAL 93 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gbb h ALA 94 N 0.00 1.38 -0.13 3.52 0.00 -1.00 0.94 119.26 123.98 2gbb h ALA 94 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2gbb h ALA 94 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2gbb h ALA 94 CO 0.00 0.19 -0.18 1.96 0.00 0.00 0.00 179.25 181.22 2gbb h GLN 95 N 0.93 0.35 -0.53 0.00 4.20 -1.42 -1.89 115.11 116.76 2gbb h GLN 95 Ca 0.46 -0.21 0.05 0.00 0.06 0.00 0.00 58.65 59.01 2gbb h GLN 95 Cb 0.42 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 2gbb h GLN 95 CO -0.25 0.78 0.26 0.82 -0.67 0.00 0.00 178.83 179.76 2gbb h ILE 96 N -0.05 0.93 -0.69 2.54 2.04 -1.82 -0.23 117.51 120.23 2gbb h ILE 96 Ca 0.01 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2gbb h ILE 96 Cb 0.74 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2gbb h ILE 96 CO 0.04 0.09 0.37 0.78 0.00 0.00 0.00 178.15 179.43 2gbb h ASN 97 N 0.50 0.88 -0.51 1.72 2.35 -0.80 -0.07 115.58 119.65 2gbb h ASN 97 Ca 0.24 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 2gbb h ASN 97 Cb 0.17 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2gbb h ASN 97 CO -0.18 0.74 0.29 0.00 -1.65 0.00 0.00 177.43 176.63 2gbb h ALA 98 N 1.18 0.65 -0.37 -0.83 0.00 -1.11 -0.49 119.26 118.29 2gbb h ALA 98 Ca 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2gbb h ALA 98 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2gbb h ALA 98 CO -0.04 0.16 0.19 0.00 0.00 0.00 0.00 179.25 179.56 2gbb h ALA 99 N 1.13 0.48 -0.64 0.00 0.00 -0.56 -1.70 119.26 117.96 2gbb h ALA 99 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2gbb h ALA 99 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2gbb h ALA 99 CO -0.03 0.03 0.34 0.87 0.00 0.00 0.00 179.25 180.46 2gbb h LYS 100 N 0.46 0.90 -0.60 0.00 1.57 -0.85 -1.98 116.57 116.07 2gbb h LYS 100 Ca 0.13 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2gbb h LYS 100 Cb 0.10 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 2gbb h LYS 100 CO -0.02 0.69 0.35 0.00 -0.57 0.00 0.00 179.45 179.90 2gbb h ALA 101 N 1.16 0.79 -0.10 3.86 0.00 -0.97 0.37 119.26 124.38 2gbb h ALA 101 Ca 0.22 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2gbb h ALA 101 Cb 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2gbb h ALA 101 CO -0.03 0.06 -0.13 0.82 0.00 0.00 0.00 179.25 179.97 2gbb h ILE 102 N 0.68 0.65 -0.35 0.00 2.04 -1.14 -2.42 117.51 116.97 2gbb h ILE 102 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.11 2gbb h ILE 102 Cb 0.08 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2gbb h ILE 102 CO -0.13 0.00 0.22 1.56 0.00 0.00 0.00 178.15 179.80 2gbb h GLN 103 N -0.17 0.47 -0.98 2.37 4.20 -0.66 -1.68 115.11 118.66 2gbb h GLN 103 Ca 0.08 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.83 2gbb h GLN 103 Cb 0.28 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.89 2gbb h GLN 103 CO -0.20 0.34 0.62 1.88 -0.67 0.00 0.00 178.83 180.81 2gbb h TYR 104 N 0.46 1.15 -0.05 2.96 0.05 -0.19 -1.68 116.97 119.67 2gbb h TYR 104 Ca 0.13 0.03 -0.18 0.00 0.05 0.00 0.00 58.73 58.76 2gbb h TYR 104 Cb -0.02 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.34 2gbb h TYR 104 CO -0.04 0.55 -0.75 0.00 -1.05 0.00 0.00 178.16 176.87 2gbb h ARG 105 N 1.09 0.29 -0.47 4.88 3.08 -1.10 -1.43 114.38 120.72 2gbb h ARG 105 Ca 0.44 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2gbb h ARG 105 Cb 0.26 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2gbb h ARG 105 CO -0.20 0.91 0.25 1.88 -1.07 0.00 0.00 179.97 181.74 2gbb h TYR 106 N 0.19 0.66 -0.88 3.04 0.05 -1.13 -1.04 116.97 117.86 2gbb h TYR 106 Ca -0.03 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 2gbb h TYR 106 Cb 1.32 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 38.81 2gbb h TYR 106 CO 0.03 0.51 0.53 0.00 -1.05 0.00 0.00 178.16 178.18 2gbb h ARG 107 N 0.62 1.20 -0.00 4.88 2.47 -1.12 -1.09 114.38 121.34 2gbb h ARG 107 Ca 0.16 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2gbb h ARG 107 Cb 0.08 -0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 28.15 2gbb h ARG 107 CO -0.02 0.85 0.00 0.00 0.56 0.00 0.00 179.97 181.36 2gbb h ALA 108 N 1.29 0.00 -0.57 0.04 0.00 -1.14 -3.17 119.26 115.71 2gbb h ALA 108 Ca 0.32 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2gbb h ALA 108 Cb -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2gbb h ALA 108 CO -0.06 -0.46 0.07 -0.44 0.00 0.00 0.00 179.25 178.36 2gbb h ASP 109 N -0.07 0.88 0.60 0.00 5.19 -0.72 -2.92 116.42 119.38 2gbb h ASP 109 Ca 0.00 -0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.20 2gbb h ASP 109 Cb 0.07 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.35 2gbb h ASP 109 CO -0.00 0.90 -0.04 -0.50 -3.12 0.00 0.00 179.24 176.48 2gbb h TRP 110 N 0.87 0.00 -1.00 4.55 6.55 -1.24 0.20 115.95 125.88 2gbb h TRP 110 Ca 0.18 0.00 0.01 0.00 0.95 0.00 0.00 58.89 60.02 2gbb h TRP 110 Cb 0.42 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 28.67 2gbb h TRP 110 CO 0.03 0.04 0.66 -0.07 -1.05 0.00 0.00 178.44 178.04 2gbb h LEU 111 N 0.00 1.15 0.00 -4.49 3.38 -1.48 -2.87 115.31 110.99 2gbb h LEU 111 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2gbb h LEU 111 Cb 0.35 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2gbb h LEU 111 CO 0.01 0.84 -1.02 -1.54 0.09 0.00 0.00 178.44 176.82 2gbb n SER 112 N -4.38 1.92 -3.20 -0.43 3.41 -1.11 -4.76 113.62 105.09 2gbb n SER 112 Ca 0.12 -0.28 -0.23 0.00 -0.26 0.00 0.00 58.87 58.22 2gbb n SER 112 Cb 0.02 1.25 -0.06 0.00 -0.26 0.00 0.00 64.21 65.16 2gbb n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gbb n GLN 113 N -1.57 1.04 -1.50 4.33 6.02 0.68 -5.13 117.38 121.25 2gbb n GLN 113 Ca -0.00 -3.46 -0.37 0.00 -0.01 0.00 0.00 57.00 53.16 2gbb n GLN 113 Cb 0.20 -1.48 0.07 0.00 1.02 0.00 0.00 30.24 30.04 2gbb n GLN 113 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2gbb n PRO 114 N 0.97 0.69 -3.82 -1.09 -0.04 -1.09 -4.20 135.00 126.43 2gbb n PRO 114 Ca 0.23 0.28 -0.35 0.00 -0.04 0.00 0.00 63.50 63.63 2gbb n PRO 114 Cb 0.55 -2.16 -0.12 0.00 -0.04 0.00 0.00 33.50 31.74 2gbb n PRO 114 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2gbb s GLU 115 N -2.97 2.11 0.26 0.54 2.02 -1.26 -4.98 118.70 114.41 2gbb s GLU 115 Ca 0.75 -2.18 -0.02 0.00 0.02 0.00 0.00 54.97 53.54 2gbb s GLU 115 Cb -0.38 -3.54 0.47 0.00 0.10 0.00 0.00 34.13 30.78 2gbb s GLU 115 CO 0.49 -1.09 1.81 -1.35 0.02 0.00 0.00 175.26 175.14 2gbb h PRO 116 N 7.42 0.83 0.00 0.39 0.11 -2.03 -2.16 132.00 136.56 2gbb h PRO 116 Ca -0.07 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2gbb h PRO 116 Cb 0.99 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2gbb h PRO 116 CO 0.68 0.55 0.00 0.41 -0.21 0.00 0.00 178.00 179.42 2gbb n GLY 117 N -1.33 -1.25 3.54 -0.55 0.00 -1.26 -4.70 105.19 99.65 2gbb n GLY 117 Ca 0.16 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2gbb n GLY 117 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2gbb s TRP 118 N -3.08 2.75 -0.35 1.61 -0.11 -0.82 -5.00 118.94 113.94 2gbb s TRP 118 Ca 0.08 0.16 -0.06 0.00 1.22 0.00 0.00 56.10 57.50 2gbb s TRP 118 Cb 0.12 -4.20 0.05 0.00 -1.50 0.00 0.00 33.47 27.94 2gbb s TRP 118 CO 0.39 -1.40 0.12 -0.65 -4.62 0.00 0.00 176.95 170.79 2gbb s GLN 119 N 4.23 2.55 0.34 5.86 -1.52 -1.26 -5.01 119.66 124.85 2gbb s GLN 119 Ca 0.35 -1.27 -0.29 0.00 -1.95 0.00 0.00 55.36 52.20 2gbb s GLN 119 Cb -0.11 -3.48 -0.10 0.00 -0.22 0.00 0.00 33.01 29.09 2gbb s GLN 119 CO 0.22 -0.73 1.36 -2.14 -0.25 0.00 0.00 175.29 173.74 2gbb s PRO 120 N 1.37 4.29 0.65 2.91 0.02 -1.26 -4.99 135.00 138.00 2gbb s PRO 120 Ca -0.01 2.30 -0.14 0.00 0.02 0.00 0.00 61.00 63.17 2gbb s PRO 120 Cb -0.20 -3.05 -0.00 0.00 0.02 0.00 0.00 34.50 31.26 2gbb s PRO 120 CO 0.02 -0.28 1.09 0.15 -0.33 0.00 0.00 177.00 177.65 2gbb s LYS 121 N -1.77 2.90 0.35 5.54 1.02 -1.26 -4.95 119.74 121.57 2gbb s LYS 121 Ca 0.50 1.29 -0.28 0.00 0.02 0.00 0.00 55.97 57.50 2gbb s LYS 121 Cb -0.41 -1.97 -0.12 0.00 -0.52 0.00 0.00 37.83 34.81 2gbb s LYS 121 CO 0.55 -1.16 1.37 -2.30 -0.92 0.00 0.00 175.35 172.89 2gbb n PRO 122 N -2.46 2.34 -0.21 -1.68 -0.02 -1.26 -4.85 135.00 126.86 2gbb n PRO 122 Ca 0.10 0.82 -0.08 0.00 -2.02 0.00 0.00 63.50 62.32 2gbb n PRO 122 Cb 0.52 -2.47 0.05 0.00 -0.02 0.00 0.00 33.50 31.59 2gbb n PRO 122 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2gbb h LEU 123 N 2.80 1.02 -0.84 2.45 6.46 -1.93 -2.27 115.31 123.02 2gbb h LEU 123 Ca -0.48 -0.27 -0.01 0.00 -0.12 0.00 0.00 57.88 57.00 2gbb h LEU 123 Cb 1.27 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.88 2gbb h LEU 123 CO 0.64 1.05 0.47 -2.24 -0.62 0.00 0.00 178.44 177.74 2gbb h ASP 124 N 0.98 1.03 -0.49 1.25 2.03 -1.98 0.19 116.42 119.42 2gbb h ASP 124 Ca 0.18 -0.09 -0.02 0.00 -0.73 0.00 0.00 57.03 56.38 2gbb h ASP 124 Cb 0.50 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 38.71 2gbb h ASP 124 CO 0.02 0.82 0.24 0.44 -1.03 0.00 0.00 179.24 179.74 2gbb h ASP 125 N 1.16 0.64 -0.29 4.15 5.19 -1.81 -1.77 116.42 123.68 2gbb h ASP 125 Ca 0.30 -0.12 -0.06 0.00 -0.62 0.00 0.00 57.03 56.53 2gbb h ASP 125 Cb 0.01 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.35 2gbb h ASP 125 CO -0.05 0.58 -0.04 0.58 -3.12 0.00 0.00 179.24 177.19 2gbb h VAL 126 N 0.65 1.27 -0.99 -1.35 2.07 -1.04 -1.94 116.25 114.92 2gbb h VAL 126 Ca 0.17 -1.03 0.10 0.00 0.82 0.00 0.00 66.70 66.75 2gbb h VAL 126 Cb 0.10 1.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 2gbb h VAL 126 CO -0.02 0.33 0.63 0.03 0.02 0.00 0.00 177.57 178.56 2gbb h ARG 127 N 0.31 1.02 -0.17 1.57 3.08 -0.54 0.13 114.38 119.78 2gbb h ARG 127 Ca 0.08 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 2gbb h ARG 127 Cb 0.50 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2gbb h ARG 127 CO 0.02 0.68 -0.44 0.00 -1.07 0.00 0.00 179.97 179.16 2gbb h ALA 128 N 1.51 0.93 -0.39 0.04 0.00 -0.89 -0.82 119.26 119.64 2gbb h ALA 128 Ca 0.46 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2gbb h ALA 128 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2gbb h ALA 128 CO -0.22 0.64 0.05 -0.91 0.00 0.00 0.00 179.25 178.81 2gbb h ASN 129 N 0.34 0.63 -0.61 0.00 4.21 -0.71 -1.41 115.58 118.03 2gbb h ASN 129 Ca 0.03 -0.27 0.02 0.00 1.21 0.00 0.00 56.30 57.28 2gbb h ASN 129 Cb 0.91 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.91 2gbb h ASN 129 CO 0.08 0.74 0.39 0.40 -1.29 0.00 0.00 177.43 177.75 2gbb h ILE 130 N 0.49 1.12 -0.60 2.81 2.04 -0.60 -2.36 117.51 120.40 2gbb h ILE 130 Ca 0.12 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 2gbb h ILE 130 Cb 0.39 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2gbb h ILE 130 CO 0.01 0.14 0.20 1.23 0.00 0.00 0.00 178.15 179.73 2gbb h GLY 131 N 0.78 1.00 0.76 5.37 0.00 -1.00 -1.64 103.07 108.33 2gbb h GLY 131 Ca 0.23 -0.58 0.06 0.00 0.00 0.00 0.00 47.33 47.04 2gbb h GLY 131 CO -0.07 0.54 0.58 -2.09 0.00 0.00 0.00 176.54 175.50 2gbb h GLU 132 N 0.85 1.05 -0.35 4.80 4.81 -1.12 -2.10 114.58 122.51 2gbb h GLU 132 Ca 0.20 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 2gbb h GLU 132 Cb 0.27 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2gbb h GLU 132 CO -0.01 0.69 -0.30 -0.07 -0.73 0.00 0.00 179.01 178.60 2gbb h LEU 133 N 1.08 0.86 -1.05 1.64 -0.00 -0.90 -2.40 115.31 114.54 2gbb h LEU 133 Ca 0.39 -0.45 0.09 0.00 -0.00 0.00 0.00 57.88 57.91 2gbb h LEU 133 Cb 0.13 -0.24 -0.07 0.00 -0.00 0.00 0.00 40.66 40.48 2gbb h LEU 133 CO -0.16 1.14 0.63 0.28 -0.00 0.00 0.00 178.44 180.32 2gbb h SER 134 N 0.60 0.95 -0.27 -0.43 0.02 -0.93 -0.31 113.55 113.18 2gbb h SER 134 Ca 0.06 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2gbb h SER 134 Cb 0.87 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2gbb h SER 134 CO 0.08 0.57 0.14 0.74 -1.14 0.00 0.00 176.83 177.21 2gbb h THR 135 N 1.05 1.13 -0.23 -2.27 2.02 -1.26 -1.91 112.91 111.45 2gbb h THR 135 Ca 0.45 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 67.19 2gbb h THR 135 Cb 0.32 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2gbb h THR 135 CO -0.20 0.13 -0.26 0.11 0.37 0.00 0.00 175.52 175.67 2gbb h LYS 136 N 0.31 0.43 -0.26 6.66 1.57 -0.87 -2.49 116.57 121.91 2gbb h LYS 136 Ca 0.09 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2gbb h LYS 136 Cb 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2gbb h LYS 136 CO -0.01 0.66 0.17 0.82 -0.57 0.00 0.00 179.45 180.52 2gbb h ILE 137 N 0.38 1.08 -0.18 1.86 2.04 -0.85 0.15 117.51 121.99 2gbb h ILE 137 Ca 0.06 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 2gbb h ILE 137 Cb 0.66 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2gbb h ILE 137 CO 0.05 0.07 -0.05 -0.07 0.00 0.00 0.00 178.15 178.15 2gbb h LEU 138 N 0.35 0.36 -0.54 1.44 3.38 -1.26 0.08 115.31 119.12 2gbb h LEU 138 Ca 0.10 -0.37 0.11 0.00 0.09 0.00 0.00 57.88 57.80 2gbb h LEU 138 Cb -0.02 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.53 2gbb h LEU 138 CO -0.02 0.65 -0.04 -0.33 0.09 0.00 0.00 178.44 178.79 2gbb h GLU 139 N 0.06 0.08 -0.58 1.13 5.08 -1.38 -1.33 114.58 117.64 2gbb h GLU 139 Ca 0.05 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2gbb h GLU 139 Cb 0.50 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2gbb h GLU 139 CO 0.02 0.05 0.08 0.37 -1.00 0.00 0.00 179.01 178.53 2gbb h GLN 140 N 0.08 0.95 -0.22 2.33 5.75 -0.53 -1.70 115.11 121.76 2gbb h GLN 140 Ca 0.27 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2gbb h GLN 140 Cb 0.42 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 2gbb h GLN 140 CO -0.48 0.89 0.05 0.82 -2.65 0.00 0.00 178.83 177.46 2gbb h ILE 141 N 0.89 1.21 0.49 2.39 2.04 -0.60 -1.10 117.51 122.83 2gbb h ILE 141 Ca 0.18 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 2gbb h ILE 141 Cb 0.42 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2gbb h ILE 141 CO 0.01 0.21 -0.47 0.00 0.00 0.00 0.00 178.15 177.91 2gbb h ALA 142 N 0.87 -1.05 -0.66 1.87 0.00 -1.03 -0.51 119.26 118.74 2gbb h ALA 142 Ca 0.07 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.94 2gbb h ALA 142 Cb 0.28 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 2gbb h ALA 142 CO 0.00 -1.13 0.01 0.93 0.00 0.00 0.00 179.25 179.06 2gbb h GLU 143 N -0.96 0.12 -0.34 0.00 5.08 -1.36 0.18 114.58 117.30 2gbb h GLU 143 Ca -0.06 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 2gbb h GLU 143 Cb 0.83 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2gbb h GLU 143 CO -0.05 0.08 -0.20 0.93 -1.00 0.00 0.00 179.01 178.77 2gbb h GLU 144 N 0.12 0.64 -0.18 2.33 5.08 -1.07 -2.17 114.58 119.34 2gbb h GLU 144 Ca 0.35 -0.24 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 2gbb h GLU 144 Cb 0.58 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2gbb h GLU 144 CO -0.56 0.80 -0.52 -0.07 -1.00 0.00 0.00 179.01 177.66 2gbb h LEU 145 N 0.57 0.57 0.00 1.33 4.07 -0.21 -3.15 115.31 118.49 2gbb h LEU 145 Ca 0.09 -0.29 -0.11 0.00 0.08 0.00 0.00 57.88 57.64 2gbb h LEU 145 Cb 0.66 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 2gbb h LEU 145 CO 0.05 0.99 -0.58 0.11 -1.08 0.00 0.00 178.44 177.92 2gbb h LYS 146 N 0.41 0.00 0.00 1.13 1.57 -0.49 -3.44 116.57 115.75 2gbb h LYS 146 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2gbb h LYS 146 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2gbb h LYS 146 CO 0.10 0.52 0.00 0.25 -0.57 0.00 0.00 179.45 179.75 2gbb n THR 147 N -3.21 0.00 -1.56 -0.16 -2.24 -0.83 -5.08 114.28 101.19 2gbb n THR 147 Ca 0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 2gbb n THR 147 Cb 0.75 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.00 2gbb n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gbb s LYS 149 N -1.99 4.24 0.00 0.00 1.02 -1.26 -4.65 119.74 117.11 2gbb s LYS 149 Ca 0.65 0.96 0.00 0.00 0.02 0.00 0.00 55.97 57.60 2gbb s LYS 149 Cb -0.55 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.15 2gbb s LYS 149 CO 0.56 -0.41 0.00 -2.30 -0.92 0.00 0.00 175.35 172.28 2gbb n PRO 150 N 5.57 0.00 -0.09 -1.68 -0.02 -1.26 0.69 135.00 138.22 2gbb n PRO 150 Ca 0.05 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.35 2gbb n PRO 150 Cb 0.48 -0.91 -0.12 0.00 -0.02 0.00 0.00 33.50 32.93 2gbb n PRO 150 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gbb h ALA 151 N 0.24 0.13 0.00 3.55 0.00 -2.03 -3.47 119.26 117.68 2gbb h ALA 151 Ca 0.00 -0.84 -0.59 0.00 0.00 0.00 0.00 54.91 53.48 2gbb h ALA 151 Cb 0.00 0.37 0.09 0.00 0.00 0.00 0.00 17.79 18.26 2gbb h ALA 151 CO 0.00 0.35 1.83 -1.91 0.00 0.00 0.00 179.25 179.53 2gbb n GLU 152 N -4.53 0.77 -3.52 0.00 2.13 0.22 -4.94 120.64 110.78 2gbb n GLU 152 Ca -0.21 -1.39 -0.37 0.00 0.66 0.00 0.00 57.16 55.85 2gbb n GLU 152 Cb 0.56 -2.67 -0.06 0.00 0.27 0.00 0.00 31.44 29.54 2gbb n GLU 152 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2gbb s GLY 154 N 5.86 2.37 0.71 8.31 0.00 -1.26 -4.78 107.32 118.52 2gbb s GLY 154 Ca 0.60 -0.31 -0.02 0.00 0.00 0.00 0.00 44.72 44.99 2gbb s GLY 154 CO 0.21 0.26 0.99 0.51 0.00 0.00 0.00 173.10 175.07 2gbb s ASP 155 N -0.43 4.43 0.16 1.64 1.47 -1.26 -4.90 116.67 117.78 2gbb s ASP 155 Ca 0.21 -0.21 -0.10 0.00 1.18 0.00 0.00 52.55 53.63 2gbb s ASP 155 Cb -0.15 -0.24 0.02 0.00 -0.34 0.00 0.00 42.92 42.21 2gbb s ASP 155 CO 0.10 -1.80 1.57 0.50 0.68 0.00 0.00 175.17 176.22 2gbb h LYS 156 N -0.52 1.01 -0.90 2.11 3.64 -2.01 -1.61 116.57 118.29 2gbb h LYS 156 Ca -0.38 -0.41 0.01 0.00 -1.27 0.00 0.00 60.65 58.60 2gbb h LYS 156 Cb 1.27 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 2gbb h LYS 156 CO 0.43 1.09 0.59 0.00 -2.27 0.00 0.00 179.45 179.29 2gbb h ALA 157 N 0.89 1.34 -0.18 5.00 0.00 -1.98 0.79 119.26 125.12 2gbb h ALA 157 Ca 0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2gbb h ALA 157 Cb 0.74 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2gbb h ALA 157 CO 0.06 0.61 -0.08 0.45 0.00 0.00 0.00 179.25 180.28 2gbb h HIS 158 N 1.23 0.43 -0.68 0.00 3.86 -1.84 -0.25 115.15 117.89 2gbb h HIS 158 Ca 0.33 -0.11 0.14 0.00 -1.16 0.00 0.00 60.37 59.57 2gbb h HIS 158 Cb -0.13 -0.10 -0.10 0.00 1.06 0.00 0.00 27.41 28.15 2gbb h HIS 158 CO 0.00 0.68 0.18 0.35 0.86 0.00 0.00 177.93 180.00 2gbb h PHE 159 N 0.06 0.29 -0.33 2.45 3.57 -1.16 0.04 116.94 121.88 2gbb h PHE 159 Ca 0.04 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.42 2gbb h PHE 159 Cb 0.56 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 2gbb h PHE 159 CO 0.06 -0.03 -0.40 0.82 -2.23 0.00 0.00 178.31 176.53 2gbb h ILE 160 N 0.30 1.28 -0.37 1.41 1.08 -0.57 0.49 117.51 121.14 2gbb h ILE 160 Ca 0.37 -1.58 -0.08 0.00 -0.39 0.00 0.00 64.86 63.18 2gbb h ILE 160 Cb 0.59 1.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.84 2gbb h ILE 160 CO -0.44 0.52 -0.10 -1.13 -0.69 0.00 0.00 178.15 176.31 2gbb h ASN 161 N 0.64 0.61 0.05 1.72 -1.24 -0.65 -3.30 115.58 113.42 2gbb h ASN 161 Ca 0.04 -0.16 -0.09 0.00 0.71 0.00 0.00 56.30 56.80 2gbb h ASN 161 Cb 1.00 -0.16 0.01 0.00 0.73 0.00 0.00 38.32 39.90 2gbb h ASN 161 CO 0.10 0.75 -0.38 0.74 -1.29 0.00 0.00 177.43 177.34 2gbb h THR 162 N 0.58 1.62 -2.70 -3.57 2.02 -0.72 -3.41 112.91 106.73 2gbb h THR 162 Ca 0.11 -2.31 -0.67 0.00 0.77 0.00 0.00 66.41 64.31 2gbb h THR 162 Cb 0.51 3.15 -0.17 0.00 -1.74 0.00 0.00 68.15 69.90 2gbb h THR 162 CO 0.03 0.63 0.48 -0.63 0.37 0.00 0.00 175.52 176.40 2gbb s ILE 163 N -2.55 4.58 -0.14 3.11 1.01 0.14 -4.86 121.20 122.49 2gbb s ILE 163 Ca -0.16 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.58 2gbb s ILE 163 Cb -0.00 -4.65 0.07 0.00 0.01 0.00 0.00 42.46 37.89 2gbb s ILE 163 CO 0.76 -1.37 0.21 -0.60 0.00 0.00 0.00 174.94 173.94 2gbb s ARG 164 N 3.27 0.12 -0.10 2.79 3.52 -1.26 -4.77 118.95 122.52 2gbb s ARG 164 Ca 0.21 0.49 -0.15 0.00 -0.13 0.00 0.00 55.73 56.15 2gbb s ARG 164 Cb -0.16 -0.55 0.04 0.00 -1.56 0.00 0.00 34.95 32.72 2gbb s ARG 164 CO 0.04 -0.43 0.38 -0.65 -0.81 0.00 0.00 175.30 173.84 2gbb s GLN 165 N 2.34 0.55 0.44 5.12 -1.52 -1.26 -5.04 119.66 120.29 2gbb s GLN 165 Ca 0.04 0.31 -0.25 0.00 -1.95 0.00 0.00 55.36 53.51 2gbb s GLN 165 Cb -0.13 0.26 -0.09 0.00 -0.22 0.00 0.00 33.01 32.82 2gbb s GLN 165 CO -0.09 -0.11 1.33 1.58 -0.25 0.00 0.00 175.29 177.75 2gbb n HIS 166 N 2.30 2.32 -1.08 0.91 -0.00 -1.26 -2.84 115.22 115.57 2gbb n HIS 166 Ca -0.16 0.48 -0.03 0.00 -0.00 0.00 0.00 57.72 58.01 2gbb n HIS 166 Cb 0.57 -2.40 -0.01 0.00 -0.00 0.00 0.00 29.99 28.14 2gbb n HIS 166 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2gbb n ASN 167 N 0.04 -3.64 -4.27 0.26 3.02 -1.26 -4.94 115.26 104.47 2gbb n ASN 167 Ca 0.06 0.07 -0.33 0.00 -0.03 0.00 0.00 54.58 54.36 2gbb n ASN 167 Cb 0.40 -1.39 -0.16 0.00 -0.61 0.00 0.00 39.78 38.03 2gbb n ASN 167 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2gbb s LEU 168 N -0.64 2.35 0.51 3.41 0.20 -1.13 -3.79 118.68 119.59 2gbb s LEU 168 Ca 0.00 -0.47 0.08 0.00 0.69 0.00 0.00 54.13 54.43 2gbb s LEU 168 Cb 0.00 -1.50 0.04 0.00 -0.43 0.00 0.00 46.19 44.30 2gbb s LEU 168 CO 0.00 0.14 0.60 0.42 -0.29 0.00 0.00 176.35 177.22 2gbb s THR 169 N 0.45 2.33 0.22 3.68 -4.23 -1.26 -4.82 115.64 112.01 2gbb s THR 169 Ca -0.13 -1.15 -0.07 0.00 -1.18 0.00 0.00 61.69 59.15 2gbb s THR 169 Cb -0.17 -2.49 0.16 0.00 1.34 0.00 0.00 72.50 71.34 2gbb s THR 169 CO 0.06 0.00 1.78 0.28 -0.54 0.00 0.00 174.62 176.20 2gbb h SER 170 N 0.54 1.07 -0.81 3.99 0.02 -1.99 -1.70 113.55 114.67 2gbb h SER 170 Ca -0.35 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.41 2gbb h SER 170 Cb 1.29 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 2gbb h SER 170 CO 0.48 0.96 0.45 0.00 -1.14 0.00 0.00 176.83 177.57 2gbb h ALA 171 N 1.19 1.25 -0.42 3.77 0.00 -1.98 0.38 119.26 123.44 2gbb h ALA 171 Ca 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2gbb h ALA 171 Cb 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2gbb h ALA 171 CO -0.02 0.61 0.23 -0.44 0.00 0.00 0.00 179.25 179.64 2gbb h ASP 172 N 1.15 0.53 -0.39 0.00 3.32 -1.79 -0.94 116.42 118.30 2gbb h ASP 172 Ca 0.29 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 2gbb h ASP 172 Cb 0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2gbb h ASP 172 CO -0.05 0.46 -0.18 0.58 -1.72 0.00 0.00 179.24 178.33 2gbb h VAL 173 N 0.55 1.28 -0.88 -1.35 2.07 -0.78 -2.84 116.25 114.30 2gbb h VAL 173 Ca 0.15 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.42 2gbb h VAL 173 Cb 0.05 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 2gbb h VAL 173 CO -0.02 0.44 0.55 -0.33 0.02 0.00 0.00 177.57 178.22 2gbb h GLU 174 N 0.61 0.98 -0.32 1.57 5.08 -0.12 -0.04 114.58 122.33 2gbb h GLU 174 Ca 0.09 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2gbb h GLU 174 Cb 0.73 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2gbb h GLU 174 CO 0.06 0.65 -0.18 0.00 -1.00 0.00 0.00 179.01 178.54 2gbb h ALA 175 N 1.41 1.10 -0.28 3.43 0.00 -1.08 0.14 119.26 123.99 2gbb h ALA 175 Ca 0.38 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2gbb h ALA 175 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2gbb h ALA 175 CO -0.17 0.56 0.06 0.82 0.00 0.00 0.00 179.25 180.51 2gbb h ILE 176 N 0.53 1.22 -0.07 0.00 2.04 -1.18 -2.34 117.51 117.70 2gbb h ILE 176 Ca 0.09 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 2gbb h ILE 176 Cb 0.60 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2gbb h ILE 176 CO 0.04 0.24 0.04 0.15 0.00 0.00 0.00 178.15 178.62 2gbb h PHE 177 N 0.28 0.09 -0.47 1.37 3.57 -0.59 0.42 116.94 121.61 2gbb h PHE 177 Ca 0.09 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 2gbb h PHE 177 Cb 0.30 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2gbb h PHE 177 CO 0.02 0.10 0.05 0.66 -2.23 0.00 0.00 178.31 176.90 2gbb h SER 178 N 0.06 0.70 0.14 0.41 4.64 -1.02 -2.28 113.55 116.19 2gbb h SER 178 Ca 0.03 -0.14 -0.19 0.00 -0.47 0.00 0.00 61.79 61.01 2gbb h SER 178 Cb 0.03 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2gbb h SER 178 CO -0.00 0.74 -0.73 0.71 -0.87 0.00 0.00 176.83 176.67 2gbb h THR 179 N 0.70 1.35 -0.56 2.95 1.35 -1.20 -3.24 112.91 114.26 2gbb h THR 179 Ca 0.15 -2.08 0.04 0.00 -0.55 0.00 0.00 66.41 63.97 2gbb h THR 179 Cb 0.36 2.06 -0.04 0.00 -1.73 0.00 0.00 68.15 68.80 2gbb h THR 179 CO 0.01 0.63 0.31 0.15 -0.25 0.00 0.00 175.52 176.37 2gbb h PHE 180 N 0.35 0.57 0.00 4.73 3.57 -0.45 -2.04 116.94 123.67 2gbb h PHE 180 Ca -0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2gbb h PHE 180 Cb 1.32 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.88 2gbb h PHE 180 CO 0.06 0.30 0.00 0.09 -2.23 0.00 0.00 178.31 176.52 2gbb n ASN 181 N -4.82 0.00 -0.60 0.41 3.02 -0.90 -2.21 115.26 110.15 2gbb n ASN 181 Ca 0.05 0.11 0.07 0.00 -0.03 0.00 0.00 54.58 54.78 2gbb n ASN 181 Cb 0.13 -0.29 0.09 0.00 -0.61 0.00 0.00 39.78 39.09 2gbb n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gbb n GLN 182 N -1.29 1.33 -2.20 3.52 6.02 -0.77 -4.95 117.38 119.03 2gbb n GLN 182 Ca 0.06 -1.51 -0.41 0.00 -0.01 0.00 0.00 57.00 55.13 2gbb n GLN 182 Cb 0.11 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 2gbb n GLN 182 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2gbb s VAL 183 N -1.11 3.08 0.01 5.09 1.01 -0.94 -4.80 120.40 122.74 2gbb s VAL 183 Ca 0.19 0.94 0.02 0.00 0.00 0.00 0.00 61.98 63.13 2gbb s VAL 183 Cb 0.12 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2gbb s VAL 183 CO 0.18 0.17 -0.06 -0.54 0.00 0.00 0.00 175.10 174.84 2gbb s LYS 184 N -0.61 0.45 0.55 2.72 -0.14 -1.26 -5.08 119.74 116.37 2gbb s LYS 184 Ca 0.54 -0.41 -0.21 0.00 -1.36 0.00 0.00 55.97 54.54 2gbb s LYS 184 Cb -0.37 -0.35 -0.05 0.00 -1.68 0.00 0.00 37.83 35.39 2gbb s LYS 184 CO 0.42 0.08 1.27 -0.51 -0.76 0.00 0.00 175.35 175.85 2gbb s LEU 185 N -0.69 3.80 0.00 3.17 1.43 -1.26 -0.88 118.68 124.25 2gbb s LEU 185 Ca -0.03 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.62 2gbb s LEU 185 Cb -0.05 -4.40 0.00 0.00 0.03 0.00 0.00 46.19 41.77 2gbb s LEU 185 CO 0.00 -1.49 0.00 0.29 0.23 0.00 0.00 176.35 175.38