#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 0.00 0.00 3.04 0.00 -1.26 -5.12 120.51 117.17 1ghc n ALA 2 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ghc n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 2.01 0.53 3.55 0.00 0.00 -1.26 -4.99 105.19 105.02 1ghc n GLY 3 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 1ghc n GLY 3 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ghc n PRO 4 N 0.00 0.45 0.00 1.61 -0.04 -1.26 -3.09 135.00 132.67 1ghc n PRO 4 Ca 0.00 -0.67 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 1ghc n PRO 4 Cb 0.00 -3.14 0.00 0.00 -0.04 0.00 0.00 33.50 30.32 1ghc n PRO 4 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ghc n SER 5 N 16.01 0.00 -1.49 3.54 7.64 -1.26 -4.98 113.62 133.08 1ghc n SER 5 Ca 0.51 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1ghc n SER 5 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1ghc n SER 5 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1ghc n VAL 6 N 0.00 -0.58 0.00 0.44 0.24 -1.26 -4.41 118.33 112.76 1ghc n VAL 6 Ca 0.00 0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1ghc n VAL 6 Cb 0.00 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 31.17 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 1.49 0.00 1.03 3.34 -2.24 -1.26 -4.64 114.28 112.00 1ghc n THR 7 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1ghc n THR 7 Cb 0.06 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.32 1ghc n THR 7 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ghc n GLU 8 N 0.00 0.73 -0.08 -0.78 4.07 -1.18 -3.83 120.64 119.57 1ghc n GLU 8 Ca 0.00 -0.58 -0.23 0.00 -0.06 0.00 0.00 57.16 56.30 1ghc n GLU 8 Cb 0.00 -1.49 -0.12 0.00 -0.06 0.00 0.00 31.44 29.77 1ghc n GLU 8 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1ghc n LEU 9 N -0.63 2.25 0.18 4.31 7.94 -1.25 -4.07 117.00 125.73 1ghc n LEU 9 Ca 0.08 0.27 -0.14 0.00 -1.11 0.00 0.00 56.01 55.11 1ghc n LEU 9 Cb 0.40 -0.98 -0.08 0.00 0.53 0.00 0.00 43.42 43.29 1ghc n LEU 9 CO 0.33 0.59 0.78 0.40 -1.11 0.00 0.00 177.39 178.37 1ghc h ILE 10 N -0.55 0.73 -1.12 1.96 2.04 -1.90 -0.49 117.51 118.19 1ghc h ILE 10 Ca -0.47 -0.01 0.32 0.00 1.00 0.00 0.00 64.86 65.70 1ghc h ILE 10 Cb 1.66 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 1ghc h ILE 10 CO -0.14 0.00 1.04 0.74 0.00 0.00 0.00 178.15 179.79 1ghc h THR 11 N -0.38 0.14 0.64 -0.27 2.02 -1.76 1.15 112.91 114.45 1ghc h THR 11 Ca -0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1ghc h THR 11 Cb 0.29 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1ghc h THR 11 CO 0.06 0.00 -0.31 0.11 0.37 0.00 0.00 175.52 175.75 1ghc h LYS 12 N 0.00 -0.83 0.00 6.66 1.79 -1.22 1.83 116.57 124.80 1ghc h LYS 12 Ca 0.53 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 59.06 1ghc h LYS 12 Cb 2.60 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 33.44 1ghc h LYS 12 CO -0.01 -0.55 0.00 0.00 -1.08 0.00 0.00 179.45 177.81 1ghc n ALA 13 N -2.47 2.04 0.02 3.86 0.00 0.35 -1.92 120.51 122.40 1ghc n ALA 13 Ca -0.13 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.28 1ghc n ALA 13 Cb 0.35 -1.32 0.14 0.00 0.00 0.00 0.00 19.45 18.62 1ghc n ALA 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ghc n VAL 14 N -1.28 0.69 -0.05 0.00 0.31 0.13 -4.44 118.33 113.69 1ghc n VAL 14 Ca 0.09 -0.85 -0.11 0.00 -0.01 0.00 0.00 64.34 63.47 1ghc n VAL 14 Cb 0.15 0.73 -0.15 0.00 -0.91 0.00 0.00 33.84 33.67 1ghc n VAL 14 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1ghc n SER 15 N 0.66 0.81 0.10 4.52 7.64 0.60 -4.42 113.62 123.52 1ghc n SER 15 Ca 0.11 0.22 -0.10 0.00 1.01 0.00 0.00 58.87 60.11 1ghc n SER 15 Cb 0.41 0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 63.70 1ghc n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ghc h ALA 16 N 0.83 -0.33 -4.90 -0.43 0.00 -1.78 -3.49 119.26 109.16 1ghc h ALA 16 Ca -0.41 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1ghc h ALA 16 Cb 2.08 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.96 1ghc h ALA 16 CO 0.05 -0.39 -0.93 0.43 0.00 0.00 0.00 179.25 178.42 1ghc n SER 17 N -5.01 -4.83 -2.48 0.00 7.64 -1.26 -4.94 113.62 102.74 1ghc n SER 17 Ca -0.08 1.46 -0.15 0.00 1.01 0.00 0.00 58.87 61.12 1ghc n SER 17 Cb 0.25 -4.23 0.03 0.00 -1.01 0.00 0.00 64.21 59.24 1ghc n SER 17 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1ghc n LYS 18 N 1.93 2.54 -3.70 1.43 -0.00 -1.26 -5.06 118.16 114.03 1ghc n LYS 18 Ca -0.14 -3.87 -0.04 0.00 -0.00 0.00 0.00 58.31 54.26 1ghc n LYS 18 Cb 0.22 -1.87 -0.01 0.00 -0.00 0.00 0.00 35.03 33.37 1ghc n LYS 18 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1ghc s GLU 19 N -3.55 1.08 -0.03 -1.58 2.12 -1.26 -5.02 118.70 110.46 1ghc s GLU 19 Ca 0.39 -0.56 0.21 0.00 0.36 0.00 0.00 54.97 55.36 1ghc s GLU 19 Cb 0.39 0.39 0.65 0.00 0.26 0.00 0.00 34.13 35.82 1ghc s GLU 19 CO -0.03 -0.49 1.54 2.89 -0.54 0.00 0.00 175.26 178.63 1ghc n ARG 20 N -0.43 2.89 -0.00 4.30 1.85 -1.26 -4.58 116.66 119.44 1ghc n ARG 20 Ca -0.07 -2.62 -0.00 0.00 -1.00 0.00 0.00 57.85 54.16 1ghc n ARG 20 Cb 0.61 -1.63 -0.00 0.00 -1.05 0.00 0.00 32.46 30.39 1ghc n ARG 20 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1ghc n LYS 21 N 1.47 0.03 0.00 2.89 4.81 -1.26 -5.06 118.16 121.04 1ghc n LYS 21 Ca 0.24 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1ghc n LYS 21 Cb 0.67 -0.30 0.00 0.00 0.02 0.00 0.00 35.03 35.41 1ghc n LYS 21 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ghc n GLY 22 N 2.63 0.85 7.00 3.14 0.00 -1.26 -4.05 105.19 113.50 1ghc n GLY 22 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1ghc n GLY 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ghc n LEU 23 N 0.00 0.00 -2.69 0.99 7.99 -1.26 -4.46 117.00 117.57 1ghc n LEU 23 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 56.01 55.94 1ghc n LEU 23 Cb 0.00 0.00 0.09 0.00 -0.11 0.00 0.00 43.42 43.40 1ghc n LEU 23 CO 0.00 0.00 0.56 -1.54 -1.51 0.00 0.00 177.39 174.90 1ghc n SER 24 N -1.59 -1.69 -0.49 -1.43 3.41 -1.26 -4.91 113.62 105.66 1ghc n SER 24 Ca 0.00 -2.56 -0.06 0.00 -0.26 0.00 0.00 58.87 55.99 1ghc n SER 24 Cb 0.00 1.40 -0.03 0.00 -0.26 0.00 0.00 64.21 65.32 1ghc n SER 24 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ghc n LEU 25 N 0.20 0.14 0.00 1.04 4.77 -1.26 -4.71 117.00 117.18 1ghc n LEU 25 Ca -0.04 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1ghc n LEU 25 Cb 0.73 -2.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.38 1ghc n LEU 25 CO -0.05 -0.94 0.00 0.00 -1.33 0.00 0.00 177.39 175.07 1ghc n ALA 26 N 1.12 1.81 -0.55 -1.18 0.00 -1.26 -4.37 120.51 116.08 1ghc n ALA 26 Ca -0.06 0.00 0.43 0.00 0.00 0.00 0.00 53.44 53.80 1ghc n ALA 26 Cb 0.51 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.62 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 -1.39 1.51 -0.08 0.00 0.00 -1.26 0.43 120.51 119.73 1ghc n ALA 27 Ca 0.00 0.52 -0.23 0.00 0.00 0.00 0.00 53.44 53.73 1ghc n ALA 27 Cb 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 1ghc n ALA 27 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ghc n LEU 28 N -3.53 2.19 -3.26 0.00 7.94 -1.26 -3.84 117.00 115.24 1ghc n LEU 28 Ca 0.35 0.31 -0.37 0.00 -1.11 0.00 0.00 56.01 55.19 1ghc n LEU 28 Cb 1.66 -0.99 -0.02 0.00 0.53 0.00 0.00 43.42 44.60 1ghc n LEU 28 CO 0.35 0.54 2.25 0.29 -1.11 0.00 0.00 177.39 179.71 1ghc n LYS 29 N -4.04 4.12 0.00 1.96 4.76 0.17 -3.07 118.16 122.05 1ghc n LYS 29 Ca -0.36 -3.19 0.00 0.00 -2.87 0.00 0.00 58.31 51.89 1ghc n LYS 29 Cb 0.84 -2.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 1ghc n LYS 29 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1ghc n LYS 30 N 1.59 0.00 0.21 1.97 -0.00 -1.01 -4.75 118.16 116.17 1ghc n LYS 30 Ca 0.60 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.97 1ghc n LYS 30 Cb 0.31 -0.11 0.45 0.00 -0.00 0.00 0.00 35.03 35.68 1ghc n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ghc h ALA 31 N 0.00 1.31 0.00 0.58 0.00 -1.64 0.52 119.26 120.03 1ghc h ALA 31 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1ghc h ALA 31 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ghc h ALA 31 CO 0.00 0.37 -0.03 -0.07 0.00 0.00 0.00 179.25 179.52 1ghc h LEU 32 N 0.00 0.00 -3.77 0.00 -0.00 -1.89 -2.85 115.31 106.80 1ghc h LEU 32 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.36 1ghc h LEU 32 Cb 0.60 0.00 -0.22 0.00 -0.00 0.00 0.00 40.66 41.04 1ghc h LEU 32 CO 0.04 0.03 0.67 0.00 -0.00 0.00 0.00 178.44 179.18 1ghc n ALA 33 N -2.11 5.79 -0.10 1.53 0.00 0.18 -4.13 120.51 121.67 1ghc n ALA 33 Ca 0.01 -2.65 -0.21 0.00 0.00 0.00 0.00 53.44 50.59 1ghc n ALA 33 Cb 0.37 -1.60 -0.10 0.00 0.00 0.00 0.00 19.45 18.12 1ghc n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ghc n ALA 34 N -0.34 0.80 -0.04 0.00 0.00 -1.08 -4.57 120.51 115.29 1ghc n ALA 34 Ca 0.48 -0.56 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 1ghc n ALA 34 Cb 0.62 -0.41 -0.01 0.00 0.00 0.00 0.00 19.45 19.66 1ghc n ALA 34 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ghc h GLY 35 N -1.00 0.00 0.00 0.00 0.00 -1.85 -3.48 103.07 96.74 1ghc h GLY 35 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1ghc h GLY 35 CO -0.21 0.00 -0.08 0.61 0.00 0.00 0.00 176.54 176.86 1ghc n GLY 36 N 1.69 -0.10 2.82 4.60 0.00 -1.26 -5.03 105.19 107.91 1ghc n GLY 36 Ca -0.04 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1ghc n GLY 36 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ghc n TYR 37 N -2.86 -2.50 -0.86 1.61 4.02 -1.26 -4.89 117.16 110.43 1ghc n TYR 37 Ca -0.01 0.40 0.00 0.00 -0.01 0.00 0.00 57.90 58.28 1ghc n TYR 37 Cb 0.04 -1.46 0.00 0.00 -0.02 0.00 0.00 39.34 37.90 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 2.17 0.21 -1.99 7.72 2.03 -1.26 -3.75 116.55 121.69 1ghc n ASP 38 Ca 0.07 -1.07 -0.06 0.00 0.52 0.00 0.00 54.79 54.25 1ghc n ASP 38 Cb 0.41 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.80 1ghc n ASP 38 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ghc n VAL 39 N -0.03 -0.18 0.00 5.18 0.24 -1.26 -4.48 118.33 117.80 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 0.33 -0.75 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 1ghc n VAL 39 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1ghc n GLU 40 N -2.18 0.00 0.12 7.34 1.02 -1.26 -4.02 120.64 121.67 1ghc n GLU 40 Ca -0.07 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.19 1ghc n GLU 40 Cb 0.42 0.00 0.48 0.00 -0.02 0.00 0.00 31.44 32.32 1ghc n GLU 40 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ghc n LYS 41 N -1.31 0.20 -0.08 3.49 4.81 -1.26 -1.57 118.16 122.44 1ghc n LYS 41 Ca 0.00 0.38 0.07 0.00 -0.87 0.00 0.00 58.31 57.89 1ghc n LYS 41 Cb 0.00 -1.85 0.09 0.00 0.02 0.00 0.00 35.03 33.29 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 -2.23 2.03 0.23 3.14 3.02 -1.26 -4.65 115.26 115.54 1ghc n ASN 42 Ca 0.03 -2.69 0.16 0.00 -0.03 0.00 0.00 54.58 52.04 1ghc n ASN 42 Cb 0.26 -0.30 0.67 0.00 -0.61 0.00 0.00 39.78 39.81 1ghc n ASN 42 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 1ghc h ASN 43 N 0.00 0.00 0.63 6.41 -1.24 -1.42 -1.16 115.58 118.79 1ghc h ASN 43 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1ghc h ASN 43 Cb 0.91 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.96 1ghc h ASN 43 CO 0.00 0.00 0.00 -0.24 -1.29 0.00 0.00 177.43 175.90 1ghc n SER 44 N -2.76 0.61 -0.00 1.15 2.88 -1.26 -1.51 113.62 112.73 1ghc n SER 44 Ca 0.01 0.66 0.04 0.00 -1.33 0.00 0.00 58.87 58.25 1ghc n SER 44 Cb 0.24 -0.79 -0.05 0.00 -0.75 0.00 0.00 64.21 62.87 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 -2.19 4.18 -0.04 -1.46 1.85 -0.47 -4.28 116.66 114.25 1ghc n ARG 45 Ca 0.02 -0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.66 1ghc n ARG 45 Cb 0.20 -0.89 -0.13 0.00 -1.05 0.00 0.00 32.46 30.59 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 0.00 1.14 0.00 8.89 5.03 -1.06 -0.96 117.51 130.55 1ghc h ILE 46 Ca 0.00 -2.32 0.00 0.00 -0.12 0.00 0.00 64.86 62.42 1ghc h ILE 46 Cb 0.20 2.68 0.00 0.00 -3.03 0.00 0.00 36.82 36.67 1ghc h ILE 46 CO 0.00 0.56 0.00 0.29 -0.68 0.00 0.00 178.15 178.32 1ghc n LYS 47 N -4.21 0.58 -0.09 2.37 5.02 -0.57 0.92 118.16 122.17 1ghc n LYS 47 Ca -0.24 0.02 -0.16 0.00 -2.02 0.00 0.00 58.31 55.90 1ghc n LYS 47 Cb 0.75 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.18 1ghc n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ghc n LEU 48 N -1.05 2.39 0.00 -0.35 7.99 -1.24 -3.06 117.00 121.68 1ghc n LEU 48 Ca 0.14 0.03 0.13 0.00 -0.01 0.00 0.00 56.01 56.30 1ghc n LEU 48 Cb 0.08 -0.62 0.62 0.00 -0.11 0.00 0.00 43.42 43.40 1ghc n LEU 48 CO 0.12 0.66 0.93 0.61 -1.51 0.00 0.00 177.39 178.21 1ghc n GLY 49 N 2.30 -1.28 0.00 -0.72 0.00 -0.36 -1.53 105.19 103.61 1ghc n GLY 49 Ca -0.35 -0.11 -0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.39 0.07 0.02 0.99 7.94 0.26 -0.77 117.00 124.12 1ghc n LEU 50 Ca 0.10 0.14 0.22 0.00 -1.11 0.00 0.00 56.01 55.36 1ghc n LEU 50 Cb 0.26 -0.51 0.65 0.00 0.53 0.00 0.00 43.42 44.34 1ghc n LEU 50 CO 0.22 -0.50 1.20 0.50 -1.11 0.00 0.00 177.39 177.71 1ghc h LYS 51 N -0.04 0.00 0.10 1.96 3.11 -1.66 0.30 116.57 120.35 1ghc h LYS 51 Ca 0.00 0.00 -0.36 0.00 -2.81 0.00 0.00 60.65 57.48 1ghc h LYS 51 Cb 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.23 1ghc h LYS 51 CO 0.00 0.00 -2.04 0.43 -2.81 0.00 0.00 179.45 175.03 1ghc n SER 52 N -3.49 2.02 0.24 4.20 7.64 -0.58 -2.35 113.62 121.31 1ghc n SER 52 Ca 0.11 0.18 -0.11 0.00 1.01 0.00 0.00 58.87 60.06 1ghc n SER 52 Cb 0.89 -0.75 -0.05 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.06 -0.57 -2.04 -3.43 5.85 0.16 1.00 115.31 116.34 1ghc h LEU 53 Ca -0.44 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1ghc h LEU 53 Cb 2.02 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 43.20 1ghc h LEU 53 CO 0.07 -0.16 -0.05 0.58 -0.34 0.00 0.00 178.44 178.54 1ghc h VAL 54 N -1.16 0.86 -0.08 1.05 2.07 -1.02 -2.68 116.25 115.29 1ghc h VAL 54 Ca -0.07 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1ghc h VAL 54 Cb 0.54 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1ghc h VAL 54 CO 0.11 0.05 0.00 -1.20 0.02 0.00 0.00 177.57 176.56 1ghc n SER 55 N -4.21 2.42 -0.03 0.57 7.64 -0.99 -3.53 113.62 115.49 1ghc n SER 55 Ca -0.03 -1.69 -0.21 0.00 1.01 0.00 0.00 58.87 57.95 1ghc n SER 55 Cb 0.14 -0.04 -0.13 0.00 -1.01 0.00 0.00 64.21 63.16 1ghc n SER 55 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1ghc h LYS 56 N 3.02 0.17 0.00 1.43 1.63 0.14 -3.47 116.57 119.48 1ghc h LYS 56 Ca 0.00 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1ghc h LYS 56 Cb 0.67 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1ghc h LYS 56 CO 0.00 1.14 0.00 0.41 -3.45 0.00 0.00 179.45 177.55 1ghc n GLY 57 N 1.69 0.43 0.09 5.01 0.00 -1.19 -5.03 105.19 106.20 1ghc n GLY 57 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 1ghc n GLY 57 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ghc h THR 58 N 0.00 0.00 -3.21 2.61 2.02 -1.86 -3.33 112.91 109.14 1ghc h THR 58 Ca 0.00 0.00 -0.74 0.00 0.77 0.00 0.00 66.41 66.44 1ghc h THR 58 Cb 0.00 0.00 -0.26 0.00 -1.74 0.00 0.00 68.15 66.15 1ghc h THR 58 CO 0.00 0.00 -0.31 -0.22 0.37 0.00 0.00 175.52 175.36 1ghc s LEU 59 N -5.51 5.87 -0.24 2.58 2.96 -1.15 -1.24 118.68 121.94 1ghc s LEU 59 Ca -0.03 -1.73 -0.26 0.00 -0.22 0.00 0.00 54.13 51.89 1ghc s LEU 59 Cb 0.01 -2.13 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 1ghc s LEU 59 CO 0.10 -0.75 0.89 0.68 -1.32 0.00 0.00 176.35 175.95 1ghc s VAL 60 N 1.52 4.79 0.00 1.68 -7.23 -1.26 -3.96 120.40 115.94 1ghc s VAL 60 Ca 0.04 1.67 0.00 0.00 -1.81 0.00 0.00 61.98 61.88 1ghc s VAL 60 Cb -0.27 -4.17 0.00 0.00 0.56 0.00 0.00 36.38 32.49 1ghc s VAL 60 CO 0.02 -0.12 0.00 0.00 -0.31 0.00 0.00 175.10 174.69 1ghc n GLN 61 N 6.12 3.84 -2.66 4.82 10.64 -1.23 -1.43 117.38 137.47 1ghc n GLN 61 Ca 0.07 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.21 1ghc n GLN 61 Cb 0.47 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 29.91 1ghc n GLN 61 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1ghc n THR 62 N 0.00 0.00 -2.32 -0.39 5.66 -1.26 -4.79 114.28 111.18 1ghc n THR 62 Ca 0.00 -0.67 -0.42 0.00 -3.05 0.00 0.00 64.05 59.91 1ghc n THR 62 Cb 0.00 0.87 -0.00 0.00 -1.55 0.00 0.00 70.33 69.65 1ghc n THR 62 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1ghc n LYS 63 N 0.05 3.06 0.00 1.09 4.81 -1.26 -2.48 118.16 123.43 1ghc n LYS 63 Ca -0.15 -3.06 0.00 0.00 -0.87 0.00 0.00 58.31 54.23 1ghc n LYS 63 Cb 0.71 -3.44 0.00 0.00 0.02 0.00 0.00 35.03 32.32 1ghc n LYS 63 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ghc n GLY 64 N 5.03 2.29 0.00 3.14 0.00 -1.26 -4.83 105.19 109.56 1ghc n GLY 64 Ca 0.50 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 46.21 1ghc n GLY 64 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ghc n THR 65 N 0.00 0.00 -0.34 2.61 5.66 -1.26 -4.31 114.28 116.64 1ghc n THR 65 Ca 0.00 -0.23 0.16 0.00 -3.05 0.00 0.00 64.05 60.93 1ghc n THR 65 Cb 0.00 0.43 0.32 0.00 -1.55 0.00 0.00 70.33 69.53 1ghc n THR 65 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1ghc h GLY 66 N 1.81 1.34 0.00 1.09 0.00 -1.96 -3.40 103.07 101.94 1ghc h GLY 66 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1ghc h GLY 66 CO 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 176.54 176.00 1ghc n ALA 67 N -3.05 0.00 -0.52 3.60 0.00 -1.26 -5.12 120.51 114.16 1ghc n ALA 67 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1ghc n ALA 67 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1ghc n ALA 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ghc n SER 68 N 0.00 -3.27 -1.01 0.00 2.88 -1.26 -5.04 113.62 105.91 1ghc n SER 68 Ca 0.00 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1ghc n SER 68 Cb 0.00 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1ghc n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ghc n GLY 69 N -1.23 4.01 2.82 0.46 0.00 -1.03 -4.77 105.19 105.44 1ghc n GLY 69 Ca 0.00 -2.10 0.03 0.00 0.00 0.00 0.00 46.02 43.94 1ghc n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ghc s SER 70 N -0.50 -0.21 -0.79 1.61 0.15 -1.26 -4.80 113.70 107.91 1ghc s SER 70 Ca 0.00 -0.08 -0.33 0.00 0.70 0.00 0.00 55.95 56.24 1ghc s SER 70 Cb 0.00 0.45 -0.20 0.00 -1.71 0.00 0.00 66.02 64.56 1ghc s SER 70 CO 0.00 -0.03 2.37 2.22 1.20 0.00 0.00 173.24 179.01 1ghc n PHE 71 N 3.93 0.72 -0.05 3.44 -1.74 -1.26 -4.67 117.46 117.84 1ghc n PHE 71 Ca 0.06 0.48 -0.04 0.00 -0.56 0.00 0.00 57.45 57.40 1ghc n PHE 71 Cb 0.63 -2.22 -0.01 0.00 1.52 0.00 0.00 39.48 39.40 1ghc n PHE 71 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1ghc n ARG 72 N 7.71 0.29 0.00 3.97 3.00 -0.52 -4.47 116.66 126.64 1ghc n ARG 72 Ca 0.59 0.35 0.00 0.00 -0.01 0.00 0.00 57.85 58.77 1ghc n ARG 72 Cb 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.20 1ghc n ARG 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1ghc n LEU 73 N -3.71 0.00 0.00 0.55 -0.00 -1.20 -4.74 117.00 107.90 1ghc n LEU 73 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 1ghc n LEU 73 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 1ghc n LEU 73 CO 0.08 0.00 0.30 -1.54 -0.00 0.00 0.00 177.39 176.23 1ghc n SER 74 N 0.00 0.00 0.00 1.96 3.41 -0.37 -4.13 113.62 114.49 1ghc n SER 74 Ca 0.00 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1ghc n SER 74 Cb 0.00 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1ghc n SER 74 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17