#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ghc n ALA 2 N 0.00 1.30 0.00 3.04 0.00 -1.26 -4.36 120.51 119.23 1ghc n ALA 2 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1ghc n ALA 2 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.12 1ghc n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ghc n GLY 3 N 3.09 0.28 0.60 0.00 0.00 -1.26 -4.84 105.19 103.06 1ghc n GLY 3 Ca 0.16 -0.18 0.41 0.00 0.00 0.00 0.00 46.02 46.40 1ghc n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ghc h PRO 4 N 0.00 0.00 -7.18 1.61 0.13 -1.96 -3.01 132.00 121.59 1ghc h PRO 4 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 1ghc h PRO 4 Cb 0.00 0.00 0.16 0.00 0.13 0.00 0.00 31.00 31.29 1ghc h PRO 4 CO 0.00 0.00 0.39 -1.12 -0.23 0.00 0.00 178.00 177.04 1ghc s SER 5 N -4.15 4.04 -0.85 1.44 0.01 -1.26 -4.61 113.70 108.32 1ghc s SER 5 Ca -0.04 2.38 -0.23 0.00 1.31 0.00 0.00 55.95 59.36 1ghc s SER 5 Cb 0.22 -2.59 -0.18 0.00 0.21 0.00 0.00 66.02 63.68 1ghc s SER 5 CO 0.74 -2.37 2.28 1.33 0.41 0.00 0.00 173.24 175.64 1ghc n VAL 6 N -2.84 0.00 0.00 3.43 0.24 -1.26 -2.27 118.33 115.63 1ghc n VAL 6 Ca 0.14 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1ghc n VAL 6 Cb 0.50 -1.71 0.00 0.00 -1.47 0.00 0.00 33.84 31.16 1ghc n VAL 6 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1ghc n THR 7 N 8.37 0.00 0.06 3.34 -2.24 -1.26 -4.44 114.28 118.10 1ghc n THR 7 Ca 0.47 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.28 1ghc n THR 7 Cb 0.41 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 1ghc n THR 7 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ghc h GLU 8 N 0.00 0.00 -0.04 -0.78 4.57 -1.31 -2.85 114.58 114.18 1ghc h GLU 8 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1ghc h GLU 8 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1ghc h GLU 8 CO 0.00 0.23 -0.16 -0.07 -1.18 0.00 0.00 179.01 177.82 1ghc h LEU 9 N 0.00 0.21 0.44 1.64 3.38 -1.69 -1.71 115.31 117.57 1ghc h LEU 9 Ca -0.11 -0.65 -0.02 0.00 0.09 0.00 0.00 57.88 57.19 1ghc h LEU 9 Cb 1.42 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1ghc h LEU 9 CO 0.04 0.82 -0.21 0.40 0.09 0.00 0.00 178.44 179.58 1ghc h ILE 10 N -0.40 0.33 -0.55 1.22 2.04 -1.87 -1.76 117.51 116.52 1ghc h ILE 10 Ca -0.01 -0.57 0.16 0.00 1.00 0.00 0.00 64.86 65.44 1ghc h ILE 10 Cb 0.82 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1ghc h ILE 10 CO 0.03 0.07 0.61 0.74 0.00 0.00 0.00 178.15 179.60 1ghc h THR 11 N -1.02 0.29 -0.12 -0.27 2.02 -1.63 0.84 112.91 113.03 1ghc h THR 11 Ca -0.06 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 1ghc h THR 11 Cb 0.56 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1ghc h THR 11 CO 0.10 0.00 -0.21 0.50 0.37 0.00 0.00 175.52 176.28 1ghc h LYS 12 N 0.00 0.35 -0.01 6.66 3.64 -0.83 -2.70 116.57 123.68 1ghc h LYS 12 Ca 0.26 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1ghc h LYS 12 Cb 1.47 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1ghc h LYS 12 CO -0.00 0.81 0.00 0.00 -2.27 0.00 0.00 179.45 177.99 1ghc n ALA 13 N -2.46 2.66 -0.06 5.00 0.00 0.23 -3.85 120.51 122.03 1ghc n ALA 13 Ca -0.07 -0.25 0.25 0.00 0.00 0.00 0.00 53.44 53.37 1ghc n ALA 13 Cb 0.42 -1.43 0.64 0.00 0.00 0.00 0.00 19.45 19.08 1ghc n ALA 13 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1ghc h VAL 14 N 0.49 0.23 -0.80 0.00 3.04 0.47 -0.20 116.25 119.48 1ghc h VAL 14 Ca 0.00 0.00 0.16 0.00 -1.01 0.00 0.00 66.70 65.85 1ghc h VAL 14 Cb 0.10 0.39 -0.15 0.00 -2.01 0.00 0.00 31.29 29.63 1ghc h VAL 14 CO 0.00 0.00 -0.23 0.28 -1.01 0.00 0.00 177.57 176.61 1ghc h SER 15 N 0.00 -0.85 -0.49 3.17 0.02 -1.79 0.58 113.55 114.19 1ghc h SER 15 Ca 0.34 0.25 0.04 0.00 -0.84 0.00 0.00 61.79 61.57 1ghc h SER 15 Cb 1.87 0.53 -0.04 0.00 0.14 0.00 0.00 62.40 64.89 1ghc h SER 15 CO -0.00 -0.27 0.26 0.00 -1.14 0.00 0.00 176.83 175.67 1ghc h ALA 16 N 1.69 0.63 -1.93 3.77 0.00 -1.37 -3.43 119.26 118.62 1ghc h ALA 16 Ca 0.37 0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.78 1ghc h ALA 16 Cb 0.59 -0.08 0.23 0.00 0.00 0.00 0.00 17.79 18.52 1ghc h ALA 16 CO -0.83 -0.08 -1.14 0.45 0.00 0.00 0.00 179.25 177.65 1ghc n SER 17 N -4.87 -3.07 -1.45 0.00 2.88 0.20 -3.64 113.62 103.66 1ghc n SER 17 Ca 0.04 0.17 -0.07 0.00 -1.33 0.00 0.00 58.87 57.68 1ghc n SER 17 Cb 0.12 -1.00 0.02 0.00 -0.75 0.00 0.00 64.21 62.60 1ghc n SER 17 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1ghc n LYS 18 N -0.54 -2.41 -4.13 -1.46 4.81 -0.06 -4.99 118.16 109.38 1ghc n LYS 18 Ca 0.03 0.25 -0.26 0.00 -0.87 0.00 0.00 58.31 57.46 1ghc n LYS 18 Cb 0.58 -3.53 -0.17 0.00 0.02 0.00 0.00 35.03 31.93 1ghc n LYS 18 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1ghc s GLU 19 N -5.36 1.60 -1.53 1.64 0.41 -1.24 -4.78 118.70 109.44 1ghc s GLU 19 Ca 0.17 -0.31 -0.07 0.00 -0.41 0.00 0.00 54.97 54.35 1ghc s GLU 19 Cb -0.08 -1.53 0.06 0.00 -1.78 0.00 0.00 34.13 30.80 1ghc s GLU 19 CO 0.22 -0.17 0.54 -2.13 -0.49 0.00 0.00 175.26 173.23 1ghc n ARG 20 N 4.55 -3.13 -3.81 1.61 0.00 -1.26 -1.87 116.66 112.76 1ghc n ARG 20 Ca -0.16 0.37 -0.29 0.00 -0.00 0.00 0.00 57.85 57.77 1ghc n ARG 20 Cb 0.51 -4.69 0.01 0.00 0.00 0.00 0.00 32.46 28.28 1ghc n ARG 20 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1ghc n LYS 21 N -4.42 -1.03 0.00 -0.14 2.85 -1.26 -4.67 118.16 109.50 1ghc n LYS 21 Ca -0.16 0.45 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 1ghc n LYS 21 Cb 0.61 -2.03 0.00 0.00 -0.65 0.00 0.00 35.03 32.96 1ghc n LYS 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ghc n GLY 22 N -1.69 -0.36 3.46 2.58 0.00 -0.78 -4.41 105.19 103.98 1ghc n GLY 22 Ca -0.23 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 1ghc n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ghc n LEU 23 N 0.00 -3.09 0.11 0.99 0.00 -1.25 -3.85 117.00 109.91 1ghc n LEU 23 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 56.01 55.86 1ghc n LEU 23 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 43.42 41.60 1ghc n LEU 23 CO 0.00 -0.24 0.00 -1.20 0.00 0.00 0.00 177.39 175.95 1ghc n SER 24 N -0.41 -2.02 -0.29 1.96 7.64 -1.26 -3.94 113.62 115.31 1ghc n SER 24 Ca -0.08 0.47 -0.00 0.00 1.01 0.00 0.00 58.87 60.26 1ghc n SER 24 Cb 0.66 2.10 0.19 0.00 -1.01 0.00 0.00 64.21 66.15 1ghc n SER 24 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ghc h LEU 25 N 0.00 0.99 -3.03 -3.43 5.85 -1.95 1.03 115.31 114.76 1ghc h LEU 25 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ghc h LEU 25 Cb 0.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.79 1ghc h LEU 25 CO 0.00 0.71 0.00 0.00 -0.34 0.00 0.00 178.44 178.81 1ghc n ALA 26 N -2.40 2.82 0.05 1.25 0.00 -1.26 -3.87 120.51 117.10 1ghc n ALA 26 Ca 0.10 -1.53 0.00 0.00 0.00 0.00 0.00 53.44 52.01 1ghc n ALA 26 Cb 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1ghc n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ghc n ALA 27 N 1.09 3.00 -0.23 0.00 0.00 -0.56 -4.71 120.51 119.09 1ghc n ALA 27 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 1ghc n ALA 27 Cb 0.78 0.04 0.09 0.00 0.00 0.00 0.00 19.45 20.36 1ghc n ALA 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ghc h LEU 28 N 0.00 0.57 -1.66 0.00 5.85 0.79 0.62 115.31 121.49 1ghc h LEU 28 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1ghc h LEU 28 Cb 0.00 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1ghc h LEU 28 CO 0.00 0.38 0.03 0.29 -0.34 0.00 0.00 178.44 178.80 1ghc n LYS 29 N -4.77 1.33 0.00 1.25 4.01 -0.21 -2.28 118.16 117.48 1ghc n LYS 29 Ca 0.08 -0.35 0.00 0.00 -0.51 0.00 0.00 58.31 57.53 1ghc n LYS 29 Cb 0.15 -1.41 0.00 0.00 -0.51 0.00 0.00 35.03 33.26 1ghc n LYS 29 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1ghc n LYS 30 N 0.17 -0.07 -0.01 1.97 4.76 0.20 -4.60 118.16 120.57 1ghc n LYS 30 Ca 0.05 -0.61 0.07 0.00 -2.87 0.00 0.00 58.31 54.94 1ghc n LYS 30 Cb 0.47 -0.91 -0.13 0.00 -1.84 0.00 0.00 35.03 32.62 1ghc n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ghc n ALA 31 N -0.09 2.51 0.61 7.82 0.00 -0.97 -4.23 120.51 126.17 1ghc n ALA 31 Ca 0.00 -0.46 0.07 0.00 0.00 0.00 0.00 53.44 53.05 1ghc n ALA 31 Cb 0.10 -0.52 0.35 0.00 0.00 0.00 0.00 19.45 19.38 1ghc n ALA 31 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ghc n LEU 32 N -2.13 0.00 -0.38 0.00 7.99 -1.25 -3.08 117.00 118.15 1ghc n LEU 32 Ca -0.05 0.41 0.37 0.00 -0.01 0.00 0.00 56.01 56.73 1ghc n LEU 32 Cb 0.50 -0.41 0.59 0.00 -0.11 0.00 0.00 43.42 43.98 1ghc n LEU 32 CO 0.35 -0.20 1.34 0.00 -1.51 0.00 0.00 177.39 177.37 1ghc h ALA 33 N 2.61 3.26 -4.02 -1.18 0.00 -1.73 -3.41 119.26 114.78 1ghc h ALA 33 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ghc h ALA 33 Cb 0.22 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ghc h ALA 33 CO 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 179.25 177.28 1ghc n ALA 34 N -2.50 -0.70 0.00 0.00 0.00 -1.18 0.20 120.51 116.33 1ghc n ALA 34 Ca 0.30 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1ghc n ALA 34 Cb 1.65 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 20.56 1ghc n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ghc n GLY 35 N -0.39 1.90 0.10 0.00 0.00 -1.26 -4.35 105.19 101.19 1ghc n GLY 35 Ca -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 1ghc n GLY 35 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ghc h GLY 36 N 0.00 -0.15 -4.21 -0.02 0.00 -1.66 -3.44 103.07 93.60 1ghc h GLY 36 Ca 0.00 0.05 -0.62 0.00 0.00 0.00 0.00 47.33 46.77 1ghc h GLY 36 CO 0.00 -0.05 -0.37 -1.72 0.00 0.00 0.00 176.54 174.39 1ghc n TYR 37 N -4.86 -0.33 -1.48 5.60 4.02 0.54 -4.87 117.16 115.78 1ghc n TYR 37 Ca -0.02 0.67 0.00 0.00 -0.01 0.00 0.00 57.90 58.54 1ghc n TYR 37 Cb 0.09 -2.01 0.00 0.00 -0.02 0.00 0.00 39.34 37.40 1ghc n TYR 37 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1ghc n ASP 38 N 1.44 0.00 -1.95 7.72 -0.08 -1.26 -3.88 116.55 118.54 1ghc n ASP 38 Ca 0.12 -1.17 -0.07 0.00 -1.51 0.00 0.00 54.79 52.16 1ghc n ASP 38 Cb 0.36 -0.03 -0.01 0.00 2.34 0.00 0.00 41.12 43.78 1ghc n ASP 38 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1ghc n VAL 39 N 0.00 -0.19 0.05 5.18 0.24 -1.26 -4.46 118.33 117.89 1ghc n VAL 39 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ghc n VAL 39 Cb 0.53 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 1ghc n VAL 39 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1ghc n GLU 40 N -2.17 0.00 0.01 7.34 4.07 -1.26 -3.71 120.64 124.92 1ghc n GLU 40 Ca -0.07 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.16 1ghc n GLU 40 Cb 0.42 -0.08 0.44 0.00 -0.06 0.00 0.00 31.44 32.16 1ghc n GLU 40 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1ghc n LYS 41 N -2.93 0.02 -0.15 5.31 4.81 -1.26 -2.93 118.16 121.02 1ghc n LYS 41 Ca 0.00 0.01 0.05 0.00 -0.87 0.00 0.00 58.31 57.50 1ghc n LYS 41 Cb 0.00 -1.52 0.07 0.00 0.02 0.00 0.00 35.03 33.60 1ghc n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ghc n ASN 42 N -1.56 1.50 0.06 3.14 3.02 -1.26 -4.68 115.26 115.48 1ghc n ASN 42 Ca 0.06 -2.43 -0.03 0.00 -0.03 0.00 0.00 54.58 52.15 1ghc n ASN 42 Cb 0.35 -0.25 0.20 0.00 -0.61 0.00 0.00 39.78 39.46 1ghc n ASN 42 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ghc h ASN 43 N 0.00 0.36 0.30 6.41 7.08 -1.61 -0.27 115.58 127.86 1ghc h ASN 43 Ca 0.00 -0.14 0.00 0.00 -3.08 0.00 0.00 56.30 53.08 1ghc h ASN 43 Cb 1.00 -0.10 0.00 0.00 -2.08 0.00 0.00 38.32 37.14 1ghc h ASN 43 CO 0.00 0.71 0.00 -0.24 -2.08 0.00 0.00 177.43 175.82 1ghc n SER 44 N -4.05 0.31 -0.05 6.14 2.88 -1.26 -1.38 113.62 116.21 1ghc n SER 44 Ca -0.01 0.61 0.05 0.00 -1.33 0.00 0.00 58.87 58.18 1ghc n SER 44 Cb 0.47 -0.66 -0.05 0.00 -0.75 0.00 0.00 64.21 63.22 1ghc n SER 44 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1ghc n ARG 45 N -1.87 3.42 0.01 -1.46 1.85 -0.21 -4.31 116.66 114.09 1ghc n ARG 45 Ca 0.01 -0.12 -0.22 0.00 -1.00 0.00 0.00 57.85 56.52 1ghc n ARG 45 Cb 0.11 -0.99 -0.14 0.00 -1.05 0.00 0.00 32.46 30.39 1ghc n ARG 45 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 1ghc h ILE 46 N 0.23 0.72 0.00 8.89 5.03 -0.18 -1.30 117.51 130.89 1ghc h ILE 46 Ca 0.00 -2.36 0.00 0.00 -0.12 0.00 0.00 64.86 62.38 1ghc h ILE 46 Cb 0.26 2.54 0.00 0.00 -3.03 0.00 0.00 36.82 36.58 1ghc h ILE 46 CO 0.00 0.84 0.00 0.29 -0.68 0.00 0.00 178.15 178.60 1ghc n LYS 47 N -3.61 0.05 -0.12 2.37 5.02 -0.65 0.26 118.16 121.48 1ghc n LYS 47 Ca -0.30 0.29 -0.26 0.00 -2.02 0.00 0.00 58.31 56.02 1ghc n LYS 47 Cb 1.01 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.44 1ghc n LYS 47 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ghc n LEU 48 N -1.42 1.79 0.00 -0.35 0.00 -1.23 -3.01 117.00 112.78 1ghc n LEU 48 Ca 0.03 0.31 0.13 0.00 0.00 0.00 0.00 56.01 56.48 1ghc n LEU 48 Cb 0.09 -0.74 0.73 0.00 0.00 0.00 0.00 43.42 43.50 1ghc n LEU 48 CO 0.08 0.47 0.94 0.61 0.00 0.00 0.00 177.39 179.49 1ghc n GLY 49 N 1.42 -0.89 0.08 -3.96 0.00 -0.49 -1.15 105.19 100.20 1ghc n GLY 49 Ca -0.48 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.32 1ghc n GLY 49 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ghc n LEU 50 N -1.08 1.75 0.26 0.99 7.94 0.74 -0.63 117.00 126.98 1ghc n LEU 50 Ca 0.17 0.38 0.17 0.00 -1.11 0.00 0.00 56.01 55.63 1ghc n LEU 50 Cb 0.12 -0.75 0.81 0.00 0.53 0.00 0.00 43.42 44.12 1ghc n LEU 50 CO 0.16 -0.34 1.14 0.50 -1.11 0.00 0.00 177.39 177.74 1ghc h LYS 51 N -0.92 0.00 0.00 1.96 1.63 -1.56 0.59 116.57 118.26 1ghc h LYS 51 Ca 0.00 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.51 1ghc h LYS 51 Cb 0.80 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.38 1ghc h LYS 51 CO 0.00 0.00 -1.94 0.43 -3.45 0.00 0.00 179.45 174.49 1ghc n SER 52 N -3.17 0.50 0.13 4.20 7.64 -0.30 -2.39 113.62 120.24 1ghc n SER 52 Ca 0.01 0.23 -0.06 0.00 1.01 0.00 0.00 58.87 60.07 1ghc n SER 52 Cb 0.44 0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 64.08 1ghc n SER 52 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ghc h LEU 53 N 0.00 -0.31 0.66 -3.43 7.12 0.25 0.19 115.31 119.80 1ghc h LEU 53 Ca -0.36 0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.64 1ghc h LEU 53 Cb 2.00 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 42.20 1ghc h LEU 53 CO 0.05 -0.11 -0.47 0.58 -0.13 0.00 0.00 178.44 178.36 1ghc h VAL 54 N -0.58 0.06 -0.25 1.05 2.07 -1.34 -2.63 116.25 114.63 1ghc h VAL 54 Ca -0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1ghc h VAL 54 Cb 0.28 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1ghc h VAL 54 CO 0.06 0.00 0.17 -1.28 0.02 0.00 0.00 177.57 176.54 1ghc h SER 55 N -1.08 0.17 -1.26 0.57 0.87 -1.60 -1.00 113.55 110.21 1ghc h SER 55 Ca -0.08 -0.00 0.37 0.00 -1.23 0.00 0.00 61.79 60.84 1ghc h SER 55 Cb 0.89 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.76 1ghc h SER 55 CO 0.05 0.12 0.99 0.11 -0.53 0.00 0.00 176.83 177.57 1ghc h LYS 56 N 0.20 0.00 0.00 2.24 1.79 -0.22 -3.43 116.57 117.15 1ghc h LYS 56 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1ghc h LYS 56 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1ghc h LYS 56 CO -0.02 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.76 1ghc n GLY 57 N -1.77 2.14 0.00 3.86 0.00 -0.38 -4.99 105.19 104.06 1ghc n GLY 57 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1ghc n GLY 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ghc n THR 58 N -0.46 0.00 -2.35 2.61 -1.04 -1.25 -3.65 114.28 108.14 1ghc n THR 58 Ca 0.00 1.25 -0.42 0.00 -2.04 0.00 0.00 64.05 62.84 1ghc n THR 58 Cb 0.00 -2.23 0.00 0.00 -1.82 0.00 0.00 70.33 66.28 1ghc n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1ghc n LEU 59 N -1.87 6.97 -4.63 -4.42 7.94 -1.24 0.24 117.00 119.99 1ghc n LEU 59 Ca 0.00 -4.80 -0.43 0.00 -1.11 0.00 0.00 56.01 49.68 1ghc n LEU 59 Cb 0.00 -1.42 -0.03 0.00 0.53 0.00 0.00 43.42 42.51 1ghc n LEU 59 CO 0.00 1.60 1.62 0.68 -1.11 0.00 0.00 177.39 180.18 1ghc s VAL 60 N -0.52 3.20 0.00 1.96 -7.23 -1.23 -4.17 120.40 112.41 1ghc s VAL 60 Ca 0.42 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 1ghc s VAL 60 Cb 0.11 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.86 1ghc s VAL 60 CO -0.01 -0.08 0.00 0.00 -0.31 0.00 0.00 175.10 174.71 1ghc n GLN 61 N 7.97 3.45 -2.84 4.82 10.64 -1.26 -2.51 117.38 137.65 1ghc n GLN 61 Ca 0.23 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.28 1ghc n GLN 61 Cb 0.43 0.00 0.03 0.00 -0.86 0.00 0.00 30.24 29.85 1ghc n GLN 61 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1ghc n THR 62 N 0.00 0.35 -2.48 -0.39 -2.24 -1.26 -4.83 114.28 103.43 1ghc n THR 62 Ca 0.00 -3.06 -0.39 0.00 -2.27 0.00 0.00 64.05 58.33 1ghc n THR 62 Cb 0.00 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 1ghc n THR 62 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ghc s LYS 63 N -1.93 3.40 0.00 -0.78 2.20 -1.26 -3.06 119.74 118.30 1ghc s LYS 63 Ca 0.29 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 1ghc s LYS 63 Cb 0.40 -5.23 0.00 0.00 -1.51 0.00 0.00 37.83 31.49 1ghc s LYS 63 CO -0.03 -2.39 0.00 0.41 -0.36 0.00 0.00 175.35 172.98 1ghc n GLY 64 N 6.77 -0.64 0.50 5.54 0.00 -1.26 -4.89 105.19 111.21 1ghc n GLY 64 Ca 0.32 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 1ghc n GLY 64 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ghc n THR 65 N 0.00 1.03 0.21 2.61 -1.04 -1.26 -4.41 114.28 111.42 1ghc n THR 65 Ca 0.00 -0.09 0.15 0.00 -2.04 0.00 0.00 64.05 62.07 1ghc n THR 65 Cb 0.00 -1.81 0.56 0.00 -1.82 0.00 0.00 70.33 67.26 1ghc n THR 65 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1ghc h GLY 66 N -0.58 0.00 -1.43 3.41 0.00 -2.00 -3.44 103.07 99.03 1ghc h GLY 66 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ghc h GLY 66 CO -0.18 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.36 1ghc n ALA 67 N -1.94 -1.09 -2.69 3.60 0.00 -1.26 -5.06 120.51 112.06 1ghc n ALA 67 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 1ghc n ALA 67 Cb 0.73 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.23 1ghc n ALA 67 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ghc n SER 68 N -0.35 1.00 -4.03 0.00 7.64 -1.26 -4.97 113.62 111.64 1ghc n SER 68 Ca 0.00 -2.57 -0.30 0.00 1.01 0.00 0.00 58.87 57.01 1ghc n SER 68 Cb 0.11 -0.31 0.21 0.00 -1.01 0.00 0.00 64.21 63.21 1ghc n SER 68 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ghc s GLY 69 N -2.95 1.64 0.00 0.23 0.00 -1.17 -4.63 107.32 100.44 1ghc s GLY 69 Ca 0.26 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1ghc s GLY 69 CO 0.01 -0.15 0.49 -1.14 0.00 0.00 0.00 173.10 172.31 1ghc n SER 70 N -4.36 0.00 -1.14 1.64 3.41 -1.26 -4.14 113.62 107.76 1ghc n SER 70 Ca 0.13 -1.20 -0.03 0.00 -0.26 0.00 0.00 58.87 57.51 1ghc n SER 70 Cb 0.59 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1ghc n SER 70 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ghc n PHE 71 N 0.00 -0.18 0.00 7.33 3.01 -1.26 -3.49 117.46 122.86 1ghc n PHE 71 Ca 0.00 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1ghc n PHE 71 Cb 0.54 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 1ghc n PHE 71 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1ghc n ARG 72 N 0.04 0.00 0.00 -1.08 1.74 -1.05 -0.88 116.66 115.44 1ghc n ARG 72 Ca -0.01 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1ghc n ARG 72 Cb 0.05 -0.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.89 1ghc n ARG 72 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1ghc n LEU 73 N -0.72 0.00 -0.06 0.55 -0.00 -1.19 -4.26 117.00 111.32 1ghc n LEU 73 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 1ghc n LEU 73 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 1ghc n LEU 73 CO 0.00 0.00 0.50 -1.28 -0.00 0.00 0.00 177.39 176.61 1ghc h SER 74 N 0.00 -0.38 0.00 1.96 0.87 0.29 -3.34 113.55 112.96 1ghc h SER 74 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1ghc h SER 74 Cb 0.00 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1ghc h SER 74 CO 0.00 -0.05 0.00 1.17 -0.53 0.00 0.00 176.83 177.42