#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 -3.45 -3.36 3.04 0.00 -1.26 -5.08 120.51 110.41 1ghc n ALA 2 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 53.44 54.76 1ghc n ALA 2 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 16.87 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 0.96 5.58 0.00 0.00 0.00 -1.26 -5.12 105.19 105.35 1ghc n GLY 3 Ca -0.22 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 0.00 -0.13 1.61 -0.04 -1.26 -4.72 135.00 130.47 1ghc n PRO 4 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1ghc n PRO 4 Cb 0.00 -0.12 0.08 0.00 -0.04 0.00 0.00 33.50 33.42 1ghc n PRO 4 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ghc n SER 5 N 0.00 -2.26 -3.10 3.54 3.41 -1.26 -3.44 113.62 110.51 1ghc n SER 5 Ca 0.00 -0.37 -0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1ghc n SER 5 Cb 0.00 -0.28 -0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1ghc n SER 5 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1ghc n VAL 6 N -3.63 -3.63 0.00 -3.33 0.31 -1.26 -4.06 118.33 102.72 1ghc n VAL 6 Ca 0.04 0.70 0.00 0.00 -0.01 0.00 0.00 64.34 65.07 1ghc n VAL 6 Cb 0.17 -3.61 0.00 0.00 -0.91 0.00 0.00 33.84 29.48 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 1.33 0.00 1.00 2.52 -2.24 -1.26 -4.60 114.28 111.03 1ghc n THR 7 Ca -0.01 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 1ghc n THR 7 Cb 0.38 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.52 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 0.09 -0.08 -0.78 4.71 -1.22 -3.82 120.64 119.54 1ghc n GLU 8 Ca 0.00 -0.07 -0.10 0.00 -0.01 0.00 0.00 57.16 56.98 1ghc n GLU 8 Cb 0.00 -1.50 -0.11 0.00 -1.01 0.00 0.00 31.44 28.82 1ghc n GLU 8 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1ghc n LEU 9 N -1.39 0.98 0.18 -4.62 7.99 -1.26 -3.66 117.00 115.22 1ghc n LEU 9 Ca 0.04 -0.03 -0.08 0.00 -0.01 0.00 0.00 56.01 55.93 1ghc n LEU 9 Cb 0.34 0.03 -0.04 0.00 -0.11 0.00 0.00 43.42 43.64 1ghc n LEU 9 CO 0.42 0.53 0.23 0.40 -1.51 0.00 0.00 177.39 177.46 1ghc h ILE 10 N 0.00 0.00 -0.26 -0.08 2.04 -1.90 -2.29 117.51 115.03 1ghc h ILE 10 Ca -0.42 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 1ghc h ILE 10 Cb 1.86 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1ghc h ILE 10 CO -0.01 0.00 -0.07 0.74 0.00 0.00 0.00 178.15 178.81 1ghc h THR 11 N -1.00 1.20 0.00 -0.27 2.02 -1.83 0.53 112.91 113.55 1ghc h THR 11 Ca -0.05 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 1ghc h THR 11 Cb 0.39 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1ghc h THR 11 CO 0.09 0.27 -0.08 0.11 0.37 0.00 0.00 175.52 176.27 1ghc h LYS 12 N 0.38 0.00 0.00 6.66 1.79 -1.63 0.10 116.57 123.88 1ghc h LYS 12 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1ghc h LYS 12 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1ghc h LYS 12 CO 0.02 0.08 -1.02 0.00 -1.08 0.00 0.00 179.45 177.45 1ghc n ALA 13 N -2.38 3.49 0.23 3.86 0.00 0.29 -4.00 120.51 122.00 1ghc n ALA 13 Ca -0.02 -0.42 0.10 0.00 0.00 0.00 0.00 53.44 53.09 1ghc n ALA 13 Cb 0.17 -0.96 0.53 0.00 0.00 0.00 0.00 19.45 19.19 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 0.67 -0.24 0.00 3.04 0.26 -2.99 116.25 116.99 1ghc h VAL 14 Ca 0.00 -0.98 -0.08 0.00 -1.01 0.00 0.00 66.70 64.63 1ghc h VAL 14 Cb 0.71 1.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.61 1ghc h VAL 14 CO 0.00 0.22 -0.17 0.28 -1.01 0.00 0.00 177.57 176.89 1ghc h SER 15 N 0.00 0.56 -0.77 3.17 0.02 -1.66 -3.11 113.55 111.76 1ghc h SER 15 Ca -0.00 -0.44 0.16 0.00 -0.84 0.00 0.00 61.79 60.67 1ghc h SER 15 Cb 0.61 -0.16 -0.14 0.00 0.14 0.00 0.00 62.40 62.85 1ghc h SER 15 CO 0.03 0.88 -0.12 0.00 -1.14 0.00 0.00 176.83 176.49 1ghc h ALA 16 N 0.69 0.62 -4.44 3.77 0.00 -1.74 -3.43 119.26 114.74 1ghc h ALA 16 Ca 0.05 0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1ghc h ALA 16 Cb 0.70 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1ghc h ALA 16 CO 0.05 -0.42 -0.10 0.45 0.00 0.00 0.00 179.25 179.22 1ghc n SER 17 N -5.45 -1.87 -0.32 0.00 2.88 -1.18 -4.71 113.62 102.99 1ghc n SER 17 Ca 0.12 0.38 0.25 0.00 -1.33 0.00 0.00 58.87 58.29 1ghc n SER 17 Cb 0.43 -1.71 0.56 0.00 -0.75 0.00 0.00 64.21 62.74 1ghc n SER 17 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1ghc h LYS 18 N 0.00 0.30 -4.75 -1.46 1.63 -1.90 -3.32 116.57 107.08 1ghc h LYS 18 Ca -0.09 -0.02 -0.66 0.00 -0.85 0.00 0.00 60.65 59.03 1ghc h LYS 18 Cb 1.02 -0.07 -0.37 0.00 -0.60 0.00 0.00 32.23 32.20 1ghc h LYS 18 CO 0.11 0.20 -0.80 -1.21 -3.45 0.00 0.00 179.45 174.30 1ghc s GLU 19 N -5.38 2.10 0.00 1.90 2.02 -1.26 -4.95 118.70 113.12 1ghc s GLU 19 Ca -0.08 -1.26 0.27 0.00 0.02 0.00 0.00 54.97 53.93 1ghc s GLU 19 Cb 0.25 -2.81 1.53 0.00 0.10 0.00 0.00 34.13 33.19 1ghc s GLU 19 CO 0.80 -0.57 1.97 -2.13 0.02 0.00 0.00 175.26 175.34 1ghc n ARG 20 N 4.49 0.65 -2.20 1.61 0.63 -1.25 -3.28 116.66 117.31 1ghc n ARG 20 Ca -0.14 0.02 -0.21 0.00 -0.92 0.00 0.00 57.85 56.60 1ghc n ARG 20 Cb 0.43 -1.50 0.02 0.00 0.45 0.00 0.00 32.46 31.86 1ghc n ARG 20 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1ghc n LYS 21 N -1.13 3.28 0.00 -0.14 -0.00 -1.26 -4.64 118.16 114.26 1ghc n LYS 21 Ca 0.17 -4.09 0.00 0.00 -0.00 0.00 0.00 58.31 54.39 1ghc n LYS 21 Cb 0.15 -2.16 0.00 0.00 -0.00 0.00 0.00 35.03 33.02 1ghc n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ghc n GLY 22 N -0.66 1.62 0.79 2.58 0.00 -1.21 -4.92 105.19 103.41 1ghc n GLY 22 Ca 0.37 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.62 -0.01 0.99 7.94 -1.25 -4.59 117.00 119.47 1ghc n LEU 23 Ca 0.00 -1.35 -0.04 0.00 -1.11 0.00 0.00 56.01 53.50 1ghc n LEU 23 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1ghc n LEU 23 CO 0.00 1.18 -0.35 -0.24 -1.11 0.00 0.00 177.39 176.87 1ghc n SER 24 N 0.00 1.22 0.05 1.96 2.88 -1.26 -3.14 113.62 115.32 1ghc n SER 24 Ca -0.17 0.18 0.12 0.00 -1.33 0.00 0.00 58.87 57.67 1ghc n SER 24 Cb 0.55 -0.42 0.15 0.00 -0.75 0.00 0.00 64.21 63.73 1ghc n SER 24 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1ghc n LEU 25 N -3.72 0.65 0.00 2.46 0.00 -1.26 -0.29 117.00 114.84 1ghc n LEU 25 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 56.01 56.09 1ghc n LEU 25 Cb 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 43.42 43.51 1ghc n LEU 25 CO 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 177.39 177.43 1ghc n ALA 26 N -1.79 0.00 -0.30 1.96 0.00 -1.26 -3.39 120.51 115.73 1ghc n ALA 26 Ca 0.03 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.80 1ghc n ALA 26 Cb 0.43 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.40 1ghc n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ghc h ALA 27 N -1.43 3.12 0.00 0.00 0.00 -1.82 0.35 119.26 119.48 1ghc h ALA 27 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1ghc h ALA 27 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1ghc h ALA 27 CO 0.00 -1.84 -1.15 -0.11 0.00 0.00 0.00 179.25 176.15 1ghc n LEU 28 N -3.40 1.86 -1.21 0.00 7.94 -1.19 -4.01 117.00 116.99 1ghc n LEU 28 Ca 0.27 0.48 -0.04 0.00 -1.11 0.00 0.00 56.01 55.61 1ghc n LEU 28 Cb 1.59 -0.91 0.09 0.00 0.53 0.00 0.00 43.42 44.72 1ghc n LEU 28 CO 0.28 0.04 0.63 0.29 -1.11 0.00 0.00 177.39 177.51 1ghc n LYS 29 N -4.47 1.74 -0.05 1.96 4.76 0.60 -2.32 118.16 120.37 1ghc n LYS 29 Ca -0.26 -0.97 0.01 0.00 -2.87 0.00 0.00 58.31 54.23 1ghc n LYS 29 Cb 0.56 -1.52 0.02 0.00 -1.84 0.00 0.00 35.03 32.25 1ghc n LYS 29 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ghc n LYS 30 N 0.07 1.61 -0.03 1.97 4.76 0.10 -4.63 118.16 122.02 1ghc n LYS 30 Ca 0.15 -1.27 -0.03 0.00 -2.87 0.00 0.00 58.31 54.29 1ghc n LYS 30 Cb 0.74 -0.86 -0.03 0.00 -1.84 0.00 0.00 35.03 33.04 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 -0.41 1.88 -0.32 7.82 0.00 -0.98 -4.58 120.51 123.92 1ghc n ALA 31 Ca 0.02 -0.29 0.32 0.00 0.00 0.00 0.00 53.44 53.48 1ghc n ALA 31 Cb 0.41 0.23 0.49 0.00 0.00 0.00 0.00 19.45 20.58 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 -2.37 0.00 -0.59 0.00 4.77 -1.22 0.79 117.00 118.38 1ghc n LEU 32 Ca -0.09 0.75 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1ghc n LEU 32 Cb 0.64 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1ghc n LEU 32 CO 0.09 -0.75 0.17 0.00 -1.33 0.00 0.00 177.39 175.57 1ghc n ALA 33 N -2.34 1.93 -0.75 -1.18 0.00 -1.26 -3.71 120.51 113.21 1ghc n ALA 33 Ca 0.26 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.55 1ghc n ALA 33 Cb 1.52 -1.00 0.17 0.00 0.00 0.00 0.00 19.45 20.14 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 0.29 4.79 -2.62 0.00 0.00 0.24 -4.36 120.51 118.84 1ghc n ALA 34 Ca 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 53.44 51.20 1ghc n ALA 34 Cb 0.17 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.63 -0.68 0.90 0.00 0.00 -1.24 -5.03 105.19 98.51 1ghc n GLY 35 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.45 0.14 3.63 -0.02 0.00 -1.26 -5.08 105.19 102.16 1ghc n GLY 36 Ca -0.21 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 1ghc n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ghc s TYR 37 N -2.54 -0.05 0.00 1.61 2.02 -1.26 -4.96 117.35 112.17 1ghc s TYR 37 Ca 0.00 0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 1ghc s TYR 37 Cb 0.00 0.50 0.00 0.00 -0.40 0.00 0.00 41.96 42.06 1ghc s TYR 37 CO 0.00 -0.07 0.43 -0.40 -1.57 0.00 0.00 175.55 173.95 1ghc n ASP 38 N 0.12 0.00 -1.83 2.29 5.75 -1.26 -4.09 116.55 117.53 1ghc n ASP 38 Ca 0.03 -1.14 -0.11 0.00 -0.01 0.00 0.00 54.79 53.56 1ghc n ASP 38 Cb 0.57 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.61 1ghc n ASP 38 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1ghc n VAL 39 N 0.00 -0.24 0.00 2.12 0.31 -1.26 -4.60 118.33 114.66 1ghc n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ghc n VAL 39 Cb 0.53 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 1ghc n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ghc n GLU 40 N -2.20 0.00 -0.05 5.55 -0.58 -1.26 -4.30 120.64 117.80 1ghc n GLU 40 Ca -0.12 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.67 1ghc n GLU 40 Cb 0.47 0.00 0.21 0.00 -0.57 0.00 0.00 31.44 31.55 1ghc n GLU 40 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ghc n LYS 41 N -1.40 1.30 -0.47 3.49 5.02 -1.26 -2.87 118.16 121.97 1ghc n LYS 41 Ca 0.00 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.83 1ghc n LYS 41 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1ghc n LYS 41 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ghc n ASN 42 N -0.20 0.00 0.02 4.39 3.02 -1.26 -4.78 115.26 116.45 1ghc n ASN 42 Ca 0.08 -1.94 0.06 0.00 -0.03 0.00 0.00 54.58 52.75 1ghc n ASN 42 Cb 0.13 -0.19 0.25 0.00 -0.61 0.00 0.00 39.78 39.36 1ghc n ASN 42 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ghc n ASN 43 N 0.00 0.10 0.29 6.41 6.94 -1.14 -1.45 115.26 126.42 1ghc n ASN 43 Ca 0.00 0.53 0.18 0.00 -0.02 0.00 0.00 54.58 55.27 1ghc n ASN 43 Cb 0.69 -0.55 0.82 0.00 -2.36 0.00 0.00 39.78 38.38 1ghc n ASN 43 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1ghc h SER 44 N 0.00 0.00 0.00 0.53 0.87 -1.86 -1.31 113.55 111.78 1ghc h SER 44 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ghc h SER 44 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1ghc h SER 44 CO 0.00 0.03 -0.78 0.54 -0.53 0.00 0.00 176.83 176.08 1ghc n ARG 45 N -3.16 2.06 -0.07 2.24 1.74 -0.53 -3.76 116.66 115.18 1ghc n ARG 45 Ca -0.01 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 56.94 1ghc n ARG 45 Cb 0.24 -1.20 -0.11 0.00 -1.02 0.00 0.00 32.46 30.38 1ghc n ARG 45 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1ghc h ILE 46 N 0.00 1.53 -0.21 0.55 5.03 -1.32 -0.68 117.51 122.41 1ghc h ILE 46 Ca 0.00 -2.16 0.00 0.00 -0.12 0.00 0.00 64.86 62.58 1ghc h ILE 46 Cb 0.37 2.91 0.00 0.00 -3.03 0.00 0.00 36.82 37.07 1ghc h ILE 46 CO 0.00 0.52 0.00 0.29 -0.68 0.00 0.00 178.15 178.28 1ghc n LYS 47 N -4.63 1.58 -0.05 2.37 5.02 -0.56 -0.44 118.16 121.45 1ghc n LYS 47 Ca -0.09 -0.81 -0.08 0.00 -2.02 0.00 0.00 58.31 55.31 1ghc n LYS 47 Cb 0.42 -1.24 -0.05 0.00 -0.02 0.00 0.00 35.03 34.15 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 0.15 2.40 0.14 -0.35 7.99 -1.23 -3.09 117.00 123.01 1ghc n LEU 48 Ca 0.07 -0.00 0.06 0.00 -0.01 0.00 0.00 56.01 56.13 1ghc n LEU 48 Cb 0.23 -0.35 0.04 0.00 -0.11 0.00 0.00 43.42 43.22 1ghc n LEU 48 CO 0.06 0.56 0.36 1.23 -1.51 0.00 0.00 177.39 178.08 1ghc h GLY 49 N 0.48 0.00 0.00 -0.72 0.00 -1.16 -2.84 103.07 98.83 1ghc h GLY 49 Ca -0.25 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 1ghc h GLY 49 CO -0.07 0.00 -0.74 -2.00 0.00 0.00 0.00 176.54 173.73 1ghc h LEU 50 N 0.00 0.00 -1.81 3.11 5.85 -0.91 0.55 115.31 122.11 1ghc h LEU 50 Ca -0.03 -0.46 0.12 0.00 0.84 0.00 0.00 57.88 58.35 1ghc h LEU 50 Cb 1.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1ghc h LEU 50 CO 0.03 1.16 0.54 0.50 -0.34 0.00 0.00 178.44 180.33 1ghc h LYS 51 N -1.00 0.00 0.00 1.25 3.11 -1.66 0.61 116.57 118.87 1ghc h LYS 51 Ca -0.18 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.52 1ghc h LYS 51 Cb 0.97 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.17 1ghc h LYS 51 CO -0.11 0.00 -2.09 0.45 -2.81 0.00 0.00 179.45 174.89 1ghc n SER 52 N -3.48 0.06 0.04 4.20 2.88 -1.07 -3.14 113.62 113.11 1ghc n SER 52 Ca 0.08 0.03 -0.03 0.00 -1.33 0.00 0.00 58.87 57.62 1ghc n SER 52 Cb 0.71 1.51 -0.01 0.00 -0.75 0.00 0.00 64.21 65.68 1ghc n SER 52 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ghc h LEU 53 N 0.00 -0.14 0.44 2.46 7.12 0.56 0.14 115.31 125.89 1ghc h LEU 53 Ca -0.21 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.80 1ghc h LEU 53 Cb 1.48 0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 41.62 1ghc h LEU 53 CO 0.01 0.14 -0.47 0.58 -0.13 0.00 0.00 178.44 178.57 1ghc h VAL 54 N -0.65 0.08 -0.25 1.05 2.07 -1.31 -2.91 116.25 114.33 1ghc h VAL 54 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1ghc h VAL 54 Cb 0.13 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 1ghc h VAL 54 CO 0.03 0.00 -0.03 -1.28 0.02 0.00 0.00 177.57 176.30 1ghc h SER 55 N -0.92 -0.17 -1.16 0.57 0.87 -1.65 -1.42 113.55 109.67 1ghc h SER 55 Ca -0.05 0.07 0.40 0.00 -1.23 0.00 0.00 61.79 60.98 1ghc h SER 55 Cb 0.82 0.13 -0.15 0.00 -0.44 0.00 0.00 62.40 62.76 1ghc h SER 55 CO -0.08 -0.05 0.70 0.50 -0.53 0.00 0.00 176.83 177.37 1ghc h LYS 56 N 0.03 0.12 0.00 2.24 3.64 -0.77 -3.44 116.57 118.40 1ghc h LYS 56 Ca 0.12 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1ghc h LYS 56 Cb 0.17 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1ghc h LYS 56 CO -0.23 0.08 0.00 0.41 -2.27 0.00 0.00 179.45 177.43 1ghc n GLY 57 N -1.40 1.42 0.00 5.01 0.00 -0.53 -5.03 105.19 104.66 1ghc n GLY 57 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 0.00 -2.77 2.61 -1.04 -1.16 -3.71 114.28 108.21 1ghc n THR 58 Ca 0.00 1.29 -0.43 0.00 -2.04 0.00 0.00 64.05 62.87 1ghc n THR 58 Cb 0.00 -2.20 -0.02 0.00 -1.82 0.00 0.00 70.33 66.30 1ghc n THR 58 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1ghc s LEU 59 N -3.06 4.41 0.09 -4.42 2.96 -1.22 -0.09 118.68 117.34 1ghc s LEU 59 Ca 0.00 -2.11 -0.31 0.00 -0.22 0.00 0.00 54.13 51.49 1ghc s LEU 59 Cb 0.00 -2.48 -0.07 0.00 0.50 0.00 0.00 46.19 44.14 1ghc s LEU 59 CO 0.00 -1.15 1.29 -0.69 -1.32 0.00 0.00 176.35 174.48 1ghc s VAL 60 N 3.39 3.66 0.00 1.68 1.01 0.13 -4.09 120.40 126.18 1ghc s VAL 60 Ca 0.42 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1ghc s VAL 60 Cb -0.02 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1ghc s VAL 60 CO -0.05 0.10 0.00 0.00 0.00 0.00 0.00 175.10 175.15 1ghc n GLN 61 N 3.88 2.33 -2.69 2.72 10.64 -1.26 -1.18 117.38 131.82 1ghc n GLN 61 Ca 0.10 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.20 1ghc n GLN 61 Cb 0.44 0.00 0.09 0.00 -0.86 0.00 0.00 30.24 29.91 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 0.36 -2.35 -0.39 -2.24 -1.26 -4.87 114.28 103.53 1ghc n THR 62 Ca 0.00 -1.97 -0.43 0.00 -2.27 0.00 0.00 64.05 59.38 1ghc n THR 62 Cb 0.00 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1ghc n THR 62 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ghc n LYS 63 N -0.57 3.62 0.00 -0.78 4.81 -1.26 -3.18 118.16 120.81 1ghc n LYS 63 Ca -0.01 -3.54 0.00 0.00 -0.87 0.00 0.00 58.31 53.89 1ghc n LYS 63 Cb 0.84 -2.93 0.00 0.00 0.02 0.00 0.00 35.03 32.97 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 2.82 0.21 0.00 3.14 0.00 -1.26 -4.87 105.19 105.23 1ghc n GLY 64 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 0.33 2.61 -1.04 -1.26 -4.69 114.28 110.23 1ghc n THR 65 Ca 0.00 -0.28 0.09 0.00 -2.04 0.00 0.00 64.05 61.82 1ghc n THR 65 Cb 0.00 1.25 0.41 0.00 -1.82 0.00 0.00 70.33 70.17 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 0.24 -1.04 1.72 3.41 0.00 -1.26 -4.85 105.19 103.41 1ghc n GLY 66 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.68 -0.34 -1.01 4.61 0.00 -1.26 -4.98 120.51 115.84 1ghc n ALA 67 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ghc n ALA 67 Cb 0.15 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.43 0.00 -2.47 0.00 7.64 -1.26 -5.12 113.62 111.99 1ghc n SER 68 Ca -0.03 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.83 1ghc n SER 68 Cb 0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.01 -5.39 2.57 0.23 0.00 -1.19 -4.68 105.19 96.75 1ghc n GLY 69 Ca 0.00 0.81 -0.27 0.00 0.00 0.00 0.00 46.02 46.56 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 1.83 2.85 -3.40 1.61 7.64 -1.26 -4.69 113.62 118.19 1ghc n SER 70 Ca -0.18 -3.21 -0.45 0.00 1.01 0.00 0.00 58.87 56.04 1ghc n SER 70 Cb 0.28 -0.69 -0.06 0.00 -1.01 0.00 0.00 64.21 62.72 1ghc n SER 70 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ghc n PHE 71 N 1.45 0.53 -0.08 1.43 3.01 -1.26 -4.49 117.46 118.04 1ghc n PHE 71 Ca 0.25 0.80 -0.18 0.00 1.01 0.00 0.00 57.45 59.34 1ghc n PHE 71 Cb 0.40 -1.58 -0.06 0.00 -0.01 0.00 0.00 39.48 38.23 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 1.24 0.36 -2.84 -1.08 3.00 -0.32 -4.36 116.66 112.66 1ghc n ARG 72 Ca 0.16 0.16 0.00 0.00 -0.01 0.00 0.00 57.85 58.15 1ghc n ARG 72 Cb 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 32.46 31.41 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 -3.78 0.00 0.01 0.55 -0.00 -1.23 -4.84 117.00 107.70 1ghc n LEU 73 Ca -0.32 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.57 1ghc n LEU 73 Cb 0.72 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 44.07 1ghc n LEU 73 CO 0.02 0.00 0.86 -1.28 -0.00 0.00 0.00 177.39 176.99 1ghc h SER 74 N 0.00 0.08 -0.00 1.96 0.87 -0.68 0.40 113.55 116.17 1ghc h SER 74 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1ghc h SER 74 Cb 0.00 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1ghc h SER 74 CO 0.00 0.13 0.00 0.29 -0.53 0.00 0.00 176.83 176.72