#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 -2.46 -1.58 -5.12 0.00 -1.26 -5.00 120.51 105.09 1ghc n ALA 2 Ca 0.00 0.27 -0.30 0.00 0.00 0.00 0.00 53.44 53.41 1ghc n ALA 2 Cb 0.00 -0.83 0.23 0.00 0.00 0.00 0.00 19.45 18.85 1ghc n ALA 2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ghc s GLY 3 N -0.33 1.73 0.00 0.00 0.00 -1.25 -4.93 107.32 102.54 1ghc s GLY 3 Ca 0.00 -1.23 0.29 0.00 0.00 0.00 0.00 44.72 43.78 1ghc s GLY 3 CO 0.00 -0.35 1.86 -1.55 0.00 0.00 0.00 173.10 173.06 1ghc n PRO 4 N -4.30 1.28 0.00 2.90 -0.04 -1.26 -4.70 135.00 128.88 1ghc n PRO 4 Ca 0.16 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 1ghc n PRO 4 Cb 0.59 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.35 0.00 -4.53 3.54 7.64 -1.26 -4.85 113.62 113.81 1ghc n SER 5 Ca 0.19 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.77 1ghc n SER 5 Cb 0.29 0.09 -0.11 0.00 -1.01 0.00 0.00 64.21 63.46 1ghc n SER 5 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ghc n VAL 6 N -1.88 -0.03 0.00 0.44 0.31 -1.26 0.77 118.33 116.67 1ghc n VAL 6 Ca 0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1ghc n VAL 6 Cb 0.00 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 1ghc n VAL 6 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1ghc n THR 7 N 7.55 0.00 1.07 2.52 -2.24 -1.26 -3.89 114.28 118.03 1ghc n THR 7 Ca 0.53 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.44 1ghc n THR 7 Cb 0.30 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.15 1ghc n THR 7 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ghc n GLU 8 N 0.00 0.16 -0.11 -0.78 -0.58 0.23 -2.13 120.64 117.43 1ghc n GLU 8 Ca 0.00 0.04 -0.20 0.00 -0.42 0.00 0.00 57.16 56.57 1ghc n GLU 8 Cb 0.00 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.28 1ghc n GLU 8 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ghc n LEU 9 N -1.41 1.89 0.31 -4.62 7.99 0.68 -3.77 117.00 118.08 1ghc n LEU 9 Ca 0.09 0.42 -0.15 0.00 -0.01 0.00 0.00 56.01 56.36 1ghc n LEU 9 Cb 0.27 -0.88 -0.08 0.00 -0.11 0.00 0.00 43.42 42.62 1ghc n LEU 9 CO 0.23 0.20 0.49 0.40 -1.51 0.00 0.00 177.39 177.19 1ghc h ILE 10 N -1.00 0.26 -1.28 -0.08 1.08 -1.78 -2.25 117.51 112.45 1ghc h ILE 10 Ca -0.37 -0.31 0.37 0.00 -0.39 0.00 0.00 64.86 64.16 1ghc h ILE 10 Cb 1.25 0.34 -0.05 0.00 -3.07 0.00 0.00 36.82 35.29 1ghc h ILE 10 CO -0.23 0.03 1.07 0.74 -0.69 0.00 0.00 178.15 179.07 1ghc h THR 11 N -1.05 0.18 0.55 -0.27 2.02 -1.67 0.33 112.91 113.00 1ghc h THR 11 Ca -0.08 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1ghc h THR 11 Cb 0.68 0.22 0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1ghc h THR 11 CO 0.14 0.00 -0.27 0.11 0.37 0.00 0.00 175.52 175.87 1ghc h LYS 12 N 0.00 -0.71 0.00 6.66 1.79 -1.50 -1.80 116.57 121.01 1ghc h LYS 12 Ca 0.61 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 1ghc h LYS 12 Cb 2.73 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 33.55 1ghc h LYS 12 CO -0.01 -0.41 0.00 0.00 -1.08 0.00 0.00 179.45 177.95 1ghc n ALA 13 N -2.52 1.63 -0.32 3.86 0.00 0.10 -3.38 120.51 119.88 1ghc n ALA 13 Ca -0.12 -0.05 0.24 0.00 0.00 0.00 0.00 53.44 53.52 1ghc n ALA 13 Cb 0.33 -1.20 0.47 0.00 0.00 0.00 0.00 19.45 19.05 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 0.00 0.13 0.00 0.00 3.04 -0.20 -2.31 116.25 116.91 1ghc h VAL 14 Ca 0.00 -0.04 -0.06 0.00 -1.01 0.00 0.00 66.70 65.59 1ghc h VAL 14 Cb 0.18 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.44 1ghc h VAL 14 CO 0.00 0.02 -1.23 -1.20 -1.01 0.00 0.00 177.57 174.15 1ghc n SER 15 N -5.24 3.74 -0.50 3.17 7.64 -1.22 -4.55 113.62 116.66 1ghc n SER 15 Ca 0.32 -0.02 0.43 0.00 1.01 0.00 0.00 58.87 60.61 1ghc n SER 15 Cb 1.03 0.01 0.77 0.00 -1.01 0.00 0.00 64.21 65.01 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 0.02 3.41 -1.98 -0.43 0.00 -1.55 0.14 119.26 118.87 1ghc h ALA 16 Ca -0.09 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 54.18 1ghc h ALA 16 Cb 1.15 0.12 -0.41 0.00 0.00 0.00 0.00 17.79 18.65 1ghc h ALA 16 CO -0.01 -1.86 -0.59 0.45 0.00 0.00 0.00 179.25 177.23 1ghc n SER 17 N -4.12 4.70 -4.58 0.00 2.88 -0.88 -4.98 113.62 106.66 1ghc n SER 17 Ca 0.35 -3.70 -0.36 0.00 -1.33 0.00 0.00 58.87 53.82 1ghc n SER 17 Cb 1.59 -0.55 -0.03 0.00 -0.75 0.00 0.00 64.21 64.47 1ghc n SER 17 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1ghc s LYS 18 N -3.54 3.33 1.12 -1.46 -2.85 0.49 -4.83 119.74 112.00 1ghc s LYS 18 Ca 0.48 -1.57 -0.19 0.00 -1.00 0.00 0.00 55.97 53.70 1ghc s LYS 18 Cb 0.32 -5.40 0.29 0.00 -2.06 0.00 0.00 37.83 30.98 1ghc s LYS 18 CO -0.16 -2.98 0.81 0.39 0.10 0.00 0.00 175.35 173.51 1ghc n GLU 19 N 8.39 -3.62 -0.01 1.78 1.02 -1.26 -4.85 120.64 122.09 1ghc n GLU 19 Ca 0.46 -1.32 0.06 0.00 -0.02 0.00 0.00 57.16 56.34 1ghc n GLU 19 Cb 0.47 -1.46 0.34 0.00 -0.02 0.00 0.00 31.44 30.76 1ghc n GLU 19 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ghc n ARG 20 N -4.73 1.09 0.00 3.49 0.00 -1.26 -4.55 116.66 110.70 1ghc n ARG 20 Ca 0.12 -0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1ghc n ARG 20 Cb 0.49 -1.20 0.00 0.00 0.00 0.00 0.00 32.46 31.75 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 -0.55 0.00 0.00 -0.14 2.85 -1.26 -5.12 118.16 113.94 1ghc n LYS 21 Ca 0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 1ghc n LYS 21 Cb 0.07 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.45 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 0.00 -3.27 0.00 2.58 0.00 -1.26 -1.45 105.19 101.79 1ghc n GLY 22 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1ghc n GLY 22 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ghc n LEU 23 N 0.00 0.00 -4.57 0.99 -0.00 -1.26 -4.63 117.00 107.54 1ghc n LEU 23 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 1ghc n LEU 23 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ghc n LEU 23 CO 0.00 0.00 1.90 -0.55 -0.00 0.00 0.00 177.39 178.74 1ghc s SER 24 N -0.31 6.86 -1.06 1.45 0.15 -1.26 -4.29 113.70 115.24 1ghc s SER 24 Ca 0.00 -2.49 -0.13 0.00 0.70 0.00 0.00 55.95 54.03 1ghc s SER 24 Cb 0.00 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 1ghc s SER 24 CO 0.00 -1.13 0.83 0.18 1.20 0.00 0.00 173.24 174.32 1ghc n LEU 25 N 8.08 -4.23 -0.42 3.45 7.99 -1.26 -4.89 117.00 125.72 1ghc n LEU 25 Ca 0.47 -0.82 0.00 0.00 -0.01 0.00 0.00 56.01 55.66 1ghc n LEU 25 Cb 0.46 -2.76 0.00 0.00 -0.11 0.00 0.00 43.42 41.01 1ghc n LEU 25 CO 0.75 0.19 0.21 0.00 -1.51 0.00 0.00 177.39 177.03 1ghc n ALA 26 N -3.55 1.74 0.03 -1.18 0.00 -1.26 -4.89 120.51 111.41 1ghc n ALA 26 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ghc n ALA 26 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 3.00 0.11 0.00 0.00 -1.26 -4.38 120.51 117.99 1ghc n ALA 27 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1ghc n ALA 27 Cb 0.45 0.17 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.33 -1.26 0.00 5.85 -1.91 0.26 115.31 117.91 1ghc h LEU 28 Ca 0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1ghc h LEU 28 Cb 0.29 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1ghc h LEU 28 CO 0.00 -0.20 -0.31 0.11 -0.34 0.00 0.00 178.44 177.70 1ghc h LYS 29 N -0.32 0.00 0.00 1.25 6.56 -1.91 1.06 116.57 123.21 1ghc h LYS 29 Ca -0.03 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.54 1ghc h LYS 29 Cb 0.26 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1ghc h LYS 29 CO 0.03 0.31 -0.10 1.57 -2.06 0.00 0.00 179.45 179.19 1ghc h LYS 30 N 0.00 0.00 0.00 3.15 5.09 -1.72 -1.80 116.57 121.29 1ghc h LYS 30 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1ghc h LYS 30 Cb 0.69 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.02 1ghc h LYS 30 CO 0.04 0.10 -0.89 0.00 -2.09 0.00 0.00 179.45 176.61 1ghc n ALA 31 N -2.18 4.03 0.90 0.07 0.00 0.89 -4.18 120.51 120.05 1ghc n ALA 31 Ca -0.00 -0.47 0.13 0.00 0.00 0.00 0.00 53.44 53.10 1ghc n ALA 31 Cb 0.31 -0.61 0.56 0.00 0.00 0.00 0.00 19.45 19.72 1ghc n ALA 31 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1ghc n LEU 32 N -1.46 0.08 -0.52 0.00 -0.00 0.35 -3.51 117.00 111.95 1ghc n LEU 32 Ca 0.03 0.51 0.39 0.00 -0.00 0.00 0.00 56.01 56.94 1ghc n LEU 32 Cb 0.28 -0.48 0.61 0.00 -0.00 0.00 0.00 43.42 43.83 1ghc n LEU 32 CO 0.34 -0.05 1.10 0.00 -0.00 0.00 0.00 177.39 178.78 1ghc n ALA 33 N -1.53 1.39 -2.32 1.47 0.00 -1.15 -4.55 120.51 113.82 1ghc n ALA 33 Ca 0.06 0.53 -0.05 0.00 0.00 0.00 0.00 53.44 53.98 1ghc n ALA 33 Cb 0.33 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 -2.68 -0.81 -2.59 0.00 0.00 -1.23 0.18 120.51 113.39 1ghc n ALA 34 Ca 0.34 0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.75 1ghc n ALA 34 Cb 1.49 -0.87 0.04 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.56 0.14 0.08 0.00 0.00 -1.26 -4.82 105.19 98.77 1ghc n GLY 35 Ca -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1ghc n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ghc n GLY 36 N -1.05 -2.32 3.55 -0.02 0.00 0.49 -5.11 105.19 100.72 1ghc n GLY 36 Ca -0.11 0.77 -0.49 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.00 0.97 0.10 1.61 4.02 0.32 -4.83 117.16 118.35 1ghc n TYR 37 Ca 0.00 0.76 0.01 0.00 -0.01 0.00 0.00 57.90 58.67 1ghc n TYR 37 Cb 0.00 -2.21 0.01 0.00 -0.02 0.00 0.00 39.34 37.12 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 1.85 1.28 -1.68 7.72 -0.08 -1.26 -3.82 116.55 120.55 1ghc n ASP 38 Ca 0.15 -1.16 -0.18 0.00 -1.51 0.00 0.00 54.79 52.09 1ghc n ASP 38 Cb 0.24 -0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.63 1ghc n ASP 38 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1ghc n VAL 39 N 0.13 -0.15 0.00 5.18 0.31 -1.26 -4.66 118.33 117.87 1ghc n VAL 39 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1ghc n VAL 39 Cb 0.08 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 1ghc n VAL 39 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ghc n GLU 40 N -2.32 0.00 0.12 5.55 0.00 -1.26 -3.78 120.64 118.94 1ghc n GLU 40 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.09 1ghc n GLU 40 Cb 0.60 0.00 0.47 0.00 0.00 0.00 0.00 31.44 32.51 1ghc n GLU 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1ghc n LYS 41 N -1.25 0.20 -0.02 5.31 3.00 -1.26 -1.65 118.16 122.48 1ghc n LYS 41 Ca 0.00 0.35 0.01 0.00 -0.00 0.00 0.00 58.31 58.67 1ghc n LYS 41 Cb 0.00 -1.83 0.02 0.00 0.00 0.00 0.00 35.03 33.22 1ghc n LYS 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ghc n ASN 42 N -2.20 1.95 0.01 3.14 3.02 -1.26 -4.69 115.26 115.23 1ghc n ASN 42 Ca 0.03 -1.81 -0.12 0.00 -0.03 0.00 0.00 54.58 52.65 1ghc n ASN 42 Cb 0.28 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.35 0.07 0.43 6.41 7.08 -1.41 0.91 115.58 129.41 1ghc h ASN 43 Ca 0.00 -0.08 0.00 0.00 -3.08 0.00 0.00 56.30 53.14 1ghc h ASN 43 Cb 0.44 -0.02 0.00 0.00 -2.08 0.00 0.00 38.32 36.67 1ghc h ASN 43 CO 0.00 0.13 0.00 -0.24 -2.08 0.00 0.00 177.43 175.24 1ghc n SER 44 N -5.01 0.00 -0.15 6.14 2.88 -1.26 -1.21 113.62 115.01 1ghc n SER 44 Ca -0.06 0.27 0.08 0.00 -1.33 0.00 0.00 58.87 57.83 1ghc n SER 44 Cb 0.07 -0.39 -0.05 0.00 -0.75 0.00 0.00 64.21 63.08 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 -1.39 1.72 -0.06 -1.46 1.85 0.11 -4.26 116.66 113.17 1ghc n ARG 45 Ca 0.06 -0.33 -0.05 0.00 -1.00 0.00 0.00 57.85 56.53 1ghc n ARG 45 Cb 0.16 -1.27 -0.15 0.00 -1.05 0.00 0.00 32.46 30.15 1ghc n ARG 45 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1ghc n ILE 46 N -0.87 1.12 0.83 8.89 5.41 0.29 -3.41 119.36 131.63 1ghc n ILE 46 Ca 0.05 -0.77 0.08 0.00 1.00 0.00 0.00 62.75 63.11 1ghc n ILE 46 Cb 0.29 -0.46 0.43 0.00 -0.71 0.00 0.00 39.64 39.19 1ghc n ILE 46 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1ghc n LYS 47 N -2.70 0.30 -0.11 0.38 -0.00 -0.35 0.84 118.16 116.52 1ghc n LYS 47 Ca -0.23 0.10 -0.22 0.00 -0.00 0.00 0.00 58.31 57.96 1ghc n LYS 47 Cb 1.00 -1.50 -0.09 0.00 -0.00 0.00 0.00 35.03 34.44 1ghc n LYS 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ghc n LEU 48 N -1.22 2.08 0.06 -5.58 4.77 -1.25 -2.44 117.00 113.42 1ghc n LEU 48 Ca 0.09 0.15 0.10 0.00 -0.03 0.00 0.00 56.01 56.32 1ghc n LEU 48 Cb 0.11 -0.71 0.43 0.00 -2.33 0.00 0.00 43.42 40.93 1ghc n LEU 48 CO 0.12 0.61 0.83 0.61 -1.33 0.00 0.00 177.39 178.23 1ghc n GLY 49 N 1.86 -1.26 0.10 -0.72 0.00 -1.09 -0.06 105.19 104.02 1ghc n GLY 49 Ca -0.43 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.86 1.86 0.31 0.99 7.94 0.25 -0.35 117.00 126.13 1ghc n LEU 50 Ca 0.04 0.48 0.17 0.00 -1.11 0.00 0.00 56.01 55.59 1ghc n LEU 50 Cb 0.25 -0.90 0.92 0.00 0.53 0.00 0.00 43.42 44.21 1ghc n LEU 50 CO 0.20 0.02 1.10 0.11 -1.11 0.00 0.00 177.39 177.72 1ghc h LYS 51 N -1.00 0.00 0.01 1.96 1.57 -1.36 0.57 116.57 118.33 1ghc h LYS 51 Ca -0.25 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.21 1ghc h LYS 51 Cb 1.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.31 1ghc h LYS 51 CO -0.15 0.00 -1.93 0.45 -0.57 0.00 0.00 179.45 177.25 1ghc n SER 52 N -2.85 0.81 -0.05 0.86 2.88 0.91 -3.09 113.62 113.09 1ghc n SER 52 Ca -0.02 0.28 -0.03 0.00 -1.33 0.00 0.00 58.87 57.76 1ghc n SER 52 Cb 0.24 0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 63.80 1ghc n SER 52 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1ghc h LEU 53 N 0.01 0.00 -2.07 2.46 -0.00 0.29 -2.81 115.31 113.19 1ghc h LEU 53 Ca -0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.50 1ghc h LEU 53 Cb 2.07 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.73 1ghc h LEU 53 CO 0.06 0.58 -0.04 0.58 -0.00 0.00 0.00 178.44 179.63 1ghc h VAL 54 N -0.83 0.15 0.01 1.22 2.07 -0.60 -1.10 116.25 117.16 1ghc h VAL 54 Ca 0.00 -0.37 -0.42 0.00 0.82 0.00 0.00 66.70 66.74 1ghc h VAL 54 Cb 0.34 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 1ghc h VAL 54 CO 0.00 0.03 -2.45 -1.54 0.02 0.00 0.00 177.57 173.63 1ghc n SER 55 N -3.23 1.98 -0.40 0.57 3.41 -1.18 -3.92 113.62 110.85 1ghc n SER 55 Ca -0.01 0.08 0.33 0.00 -0.26 0.00 0.00 58.87 59.01 1ghc n SER 55 Cb 0.21 -0.61 0.64 0.00 -0.26 0.00 0.00 64.21 64.19 1ghc n SER 55 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ghc h LYS 56 N -0.42 0.16 0.00 4.33 1.79 -1.49 -3.44 116.57 117.51 1ghc h LYS 56 Ca -0.62 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.84 1ghc h LYS 56 Cb 1.78 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.39 1ghc h LYS 56 CO -0.22 0.11 0.00 0.41 -1.08 0.00 0.00 179.45 178.67 1ghc n GLY 57 N -1.59 1.80 0.04 3.86 0.00 -1.21 -5.00 105.19 103.09 1ghc n GLY 57 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.32 1ghc n GLY 57 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ghc h THR 58 N 0.00 0.00 -3.18 2.61 1.35 -1.81 -3.33 112.91 108.54 1ghc h THR 58 Ca 0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 66.41 65.27 1ghc h THR 58 Cb 0.00 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.35 1ghc h THR 58 CO 0.00 0.00 -0.19 -0.22 -0.25 0.00 0.00 175.52 174.86 1ghc s LEU 59 N -5.45 4.36 -0.43 3.87 2.96 -0.43 -0.15 118.68 123.41 1ghc s LEU 59 Ca -0.01 0.84 -0.00 0.00 -0.22 0.00 0.00 54.13 54.74 1ghc s LEU 59 Cb 0.01 -2.60 0.12 0.00 0.50 0.00 0.00 46.19 44.21 1ghc s LEU 59 CO 0.05 0.16 0.20 -0.69 -1.32 0.00 0.00 176.35 174.75 1ghc s VAL 60 N -0.18 3.00 0.00 1.68 1.01 -1.26 -3.77 120.40 120.88 1ghc s VAL 60 Ca 0.24 -2.40 0.00 0.00 0.00 0.00 0.00 61.98 59.82 1ghc s VAL 60 Cb -0.16 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1ghc s VAL 60 CO 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 175.10 174.50 1ghc n GLN 61 N 4.18 1.70 -2.49 2.72 10.64 -1.25 -2.78 117.38 130.11 1ghc n GLN 61 Ca 0.02 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.15 1ghc n GLN 61 Cb 0.40 0.00 0.07 0.00 -0.86 0.00 0.00 30.24 29.86 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 -0.29 0.00 -3.19 -0.39 -2.24 -1.20 -4.58 114.28 102.40 1ghc n THR 62 Ca 0.00 -0.93 -0.46 0.00 -2.27 0.00 0.00 64.05 60.39 1ghc n THR 62 Cb 0.00 0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 69.04 1ghc n THR 62 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1ghc s LYS 63 N 0.11 3.66 0.27 -0.78 -2.85 -1.26 -4.32 119.74 114.57 1ghc s LYS 63 Ca 0.11 -2.29 0.23 0.00 -1.00 0.00 0.00 55.97 53.01 1ghc s LYS 63 Cb 0.28 -4.62 0.13 0.00 -2.06 0.00 0.00 37.83 31.56 1ghc s LYS 63 CO -0.07 -1.46 1.23 0.78 0.10 0.00 0.00 175.35 175.93 1ghc h GLY 64 N 8.62 0.00 -0.25 0.59 0.00 -1.95 -3.33 103.07 106.75 1ghc h GLY 64 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 1ghc h GLY 64 CO 0.90 0.00 -0.12 2.41 0.00 0.00 0.00 176.54 179.73 1ghc n THR 65 N -2.76 1.87 -3.58 4.70 -1.04 -1.26 -4.98 114.28 107.22 1ghc n THR 65 Ca 0.01 -2.36 -0.22 0.00 -2.04 0.00 0.00 64.05 59.44 1ghc n THR 65 Cb 0.54 -0.20 0.05 0.00 -1.82 0.00 0.00 70.33 68.89 1ghc n THR 65 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ghc n GLY 66 N -1.31 -0.65 2.35 3.41 0.00 -1.25 -4.95 105.19 102.78 1ghc n GLY 66 Ca 0.16 0.30 -0.19 0.00 0.00 0.00 0.00 46.02 46.30 1ghc n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ghc n ALA 67 N -4.02 1.32 -2.85 4.61 0.00 -1.26 -5.03 120.51 113.28 1ghc n ALA 67 Ca -0.20 -2.84 -0.00 0.00 0.00 0.00 0.00 53.44 50.39 1ghc n ALA 67 Cb 0.64 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 1.21 -7.06 0.00 0.00 7.64 -1.26 -4.95 113.62 109.20 1ghc n SER 68 Ca 0.18 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.21 1ghc n SER 68 Cb 0.58 -4.22 0.00 0.00 -1.01 0.00 0.00 64.21 59.56 1ghc n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ghc n GLY 69 N 1.00 1.65 0.00 0.23 0.00 -1.26 -4.74 105.19 102.07 1ghc n GLY 69 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ghc n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ghc n SER 70 N 0.00 0.00 -4.65 1.61 7.64 -1.26 -4.66 113.62 112.30 1ghc n SER 70 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1ghc n SER 70 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1ghc n SER 70 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1ghc s PHE 71 N 0.00 3.35 -0.20 1.43 0.08 -0.52 -3.24 117.98 118.89 1ghc s PHE 71 Ca 0.00 0.86 0.18 0.00 0.12 0.00 0.00 56.93 58.09 1ghc s PHE 71 Cb 0.00 -2.77 -0.25 0.00 -0.57 0.00 0.00 43.02 39.43 1ghc s PHE 71 CO 0.00 -0.19 0.08 0.54 -0.10 0.00 0.00 175.22 175.55 1ghc n ARG 72 N 5.12 0.70 0.00 0.44 3.00 -1.12 -4.56 116.66 120.24 1ghc n ARG 72 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 57.85 57.80 1ghc n ARG 72 Cb 0.50 -1.52 0.00 0.00 0.00 0.00 0.00 32.46 31.44 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 -2.74 0.00 0.00 0.55 7.94 -1.26 -4.88 117.00 116.61 1ghc n LEU 73 Ca -0.32 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.58 1ghc n LEU 73 Cb 1.14 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.09 1ghc n LEU 73 CO 0.43 0.00 0.00 -1.20 -1.11 0.00 0.00 177.39 175.51 1ghc n SER 74 N 0.00 0.00 -0.64 1.96 7.64 0.78 -4.74 113.62 118.62 1ghc n SER 74 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.96 1ghc n SER 74 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 1ghc n SER 74 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32