#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gya n LEU 8 N 0.00 6.18 0.00 -1.96 4.77 -1.26 -4.07 117.00 120.66 2gya n LEU 8 Ca 0.00 -4.92 0.00 0.00 -0.03 0.00 0.00 56.01 51.06 2gya n LEU 8 Cb 0.00 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 39.67 2gya n LEU 8 CO 0.00 1.41 -0.13 0.29 -1.33 0.00 0.00 177.39 177.63 2gya n LYS 9 N 2.88 0.49 -3.71 3.23 4.01 -1.26 -5.08 118.16 118.73 2gya n LYS 9 Ca 0.31 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.84 2gya n LYS 9 Cb 0.36 -0.63 -0.17 0.00 -0.51 0.00 0.00 35.03 34.09 2gya n LYS 9 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2gya s VAL 10 N -1.26 0.40 0.00 -0.18 1.01 -1.26 -5.04 120.40 114.07 2gya s VAL 10 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2gya s VAL 10 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.43 2gya s VAL 10 CO 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 175.10 174.86 2gya n LEU 11 N 5.10 0.00 0.00 3.92 -0.00 -1.26 -4.79 117.00 119.97 2gya n LEU 11 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 2gya n LEU 11 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 2gya n LEU 11 CO 0.12 0.00 0.00 0.54 -0.00 0.00 0.00 177.39 178.05 2gya n ARG 12 N -0.10 0.00 -3.42 1.47 5.12 0.20 -4.85 116.66 115.09 2gya n ARG 12 Ca 0.00 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.54 2gya n ARG 12 Cb 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.24 2gya n ARG 12 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2gya s ALA 13 N -2.00 3.59 0.29 7.54 0.00 -1.26 -4.86 121.76 125.06 2gya s ALA 13 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 51.78 2gya s ALA 13 Cb 0.00 -2.50 0.71 0.00 0.00 0.00 0.00 23.12 21.33 2gya s ALA 13 CO 0.00 0.25 1.72 -1.35 0.00 0.00 0.00 175.76 176.38 2gya h PRO 14 N 5.68 0.48 0.00 0.00 0.11 -1.93 -1.19 132.00 135.16 2gya h PRO 14 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2gya h PRO 14 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2gya h PRO 14 CO 0.69 0.32 0.00 -2.39 -0.21 0.00 0.00 178.00 176.40 2gya n HIS 15 N -4.97 0.00 -3.74 0.65 1.44 -1.26 -2.43 115.22 104.91 2gya n HIS 15 Ca 0.22 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.93 2gya n HIS 15 Cb 0.62 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.73 2gya n HIS 15 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2gya n VAL 16 N 2.50 0.00 0.00 0.61 0.31 -1.26 -5.04 118.33 115.45 2gya n VAL 16 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2gya n VAL 16 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2gya n VAL 16 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2gya n SER 17 N -1.79 0.00 -4.59 4.52 7.64 -1.26 -4.32 113.62 113.82 2gya n SER 17 Ca 0.00 0.00 -0.51 0.00 1.01 0.00 0.00 58.87 59.37 2gya n SER 17 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2gya n SER 17 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2gya n GLU 18 N 0.00 1.20 0.00 1.43 -0.58 -1.26 -2.48 120.64 118.95 2gya n GLU 18 Ca 0.00 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 2gya n GLU 18 Cb 0.00 -2.03 0.00 0.00 -0.57 0.00 0.00 31.44 28.84 2gya n GLU 18 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2gya n LYS 19 N 2.28 0.00 -0.71 3.49 4.81 -1.26 -4.72 118.16 122.05 2gya n LYS 19 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 2gya n LYS 19 Cb 0.22 0.00 0.26 0.00 0.02 0.00 0.00 35.03 35.52 2gya n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2gya n ALA 20 N 0.00 3.80 0.00 3.14 0.00 -1.04 -3.76 120.51 122.65 2gya n ALA 20 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.89 2gya n ALA 20 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2gya n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2gya n SER 21 N 0.20 3.14 0.22 0.00 3.41 -1.15 -4.58 113.62 114.86 2gya n SER 21 Ca 0.25 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 59.00 2gya n SER 21 Cb 1.04 0.00 0.76 0.00 -0.26 0.00 0.00 64.21 65.74 2gya n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gya h THR 22 N 0.00 0.73 -3.19 6.66 1.03 -1.85 -3.30 112.91 112.99 2gya h THR 22 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 66.41 65.92 2gya h THR 22 Cb 0.83 0.93 0.03 0.00 -1.07 0.00 0.00 68.15 68.87 2gya h THR 22 CO 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 175.52 175.49 2gya s ALA 23 N -4.86 3.55 0.00 0.00 0.00 -1.25 -3.85 121.76 115.35 2gya s ALA 23 Ca -0.05 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2gya s ALA 23 Cb 0.17 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.93 2gya s ALA 23 CO 0.62 -0.27 0.00 -1.33 0.00 0.00 0.00 175.76 174.79 2gya n MET 24 N -2.09 0.00 0.18 0.00 2.81 -1.17 -4.83 117.12 112.02 2gya n MET 24 Ca -0.01 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.75 2gya n MET 24 Cb 0.56 -2.55 -0.07 0.00 -0.71 0.00 0.00 33.22 30.45 2gya n MET 24 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 2gya h GLU 25 N 1.06 -0.67 0.00 0.03 4.11 -1.67 -3.31 114.58 114.13 2gya h GLU 25 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2gya h GLU 25 Cb 0.00 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2gya h GLU 25 CO 0.00 -0.45 -0.08 1.63 0.07 0.00 0.00 179.01 180.18 2gya n LYS 26 N -4.68 0.31 -2.29 1.06 4.01 -1.26 -3.19 118.16 112.12 2gya n LYS 26 Ca -0.08 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.30 2gya n LYS 26 Cb 0.33 -0.54 -0.03 0.00 -0.51 0.00 0.00 35.03 34.28 2gya n LYS 26 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2gya s SER 27 N -1.33 6.96 -0.82 4.39 0.01 -1.26 -4.91 113.70 116.74 2gya s SER 27 Ca 0.00 2.21 -0.25 0.00 1.31 0.00 0.00 55.95 59.22 2gya s SER 27 Cb 0.00 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.57 2gya s SER 27 CO 0.00 -0.53 2.10 0.20 0.41 0.00 0.00 173.24 175.42 2gya s ASN 28 N 0.85 4.74 -0.10 2.44 -0.87 -1.26 -3.37 114.94 117.37 2gya s ASN 28 Ca 0.60 -0.28 -0.30 0.00 -1.57 0.00 0.00 52.86 51.30 2gya s ASN 28 Cb -0.34 -2.55 0.09 0.00 -0.02 0.00 0.00 41.25 38.43 2gya s ASN 28 CO 0.32 -3.07 0.80 -0.89 -2.57 0.00 0.00 177.10 171.68 2gya s THR 29 N 11.54 0.00 0.00 1.60 2.01 -1.26 -4.35 115.64 125.18 2gya s THR 29 Ca 0.78 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.79 2gya s THR 29 Cb -0.10 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 2gya s THR 29 CO 0.05 0.00 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.31 2gya s ILE 30 N -1.06 0.30 0.11 1.82 1.01 -1.21 -3.05 121.20 119.12 2gya s ILE 30 Ca -0.07 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.33 2gya s ILE 30 Cb -0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 2gya s ILE 30 CO 0.06 0.01 0.15 -0.69 0.00 0.00 0.00 174.94 174.48 2gya s VAL 31 N -0.26 4.77 -0.30 2.92 1.01 -1.26 -1.94 120.40 125.33 2gya s VAL 31 Ca -0.00 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 2gya s VAL 31 Cb -0.03 -3.37 0.21 0.00 0.00 0.00 0.00 36.38 33.19 2gya s VAL 31 CO -0.00 0.03 1.37 -0.22 0.00 0.00 0.00 175.10 176.28 2gya s LEU 32 N -2.74 -0.01 -0.24 3.92 0.20 -1.02 -4.49 118.68 114.29 2gya s LEU 32 Ca 0.31 0.02 -0.29 0.00 0.69 0.00 0.00 54.13 54.87 2gya s LEU 32 Cb -0.12 1.02 0.00 0.00 -0.43 0.00 0.00 46.19 46.67 2gya s LEU 32 CO 0.24 -0.00 1.18 -0.54 -0.29 0.00 0.00 176.35 176.94 2gya s LYS 33 N 0.58 4.14 0.14 1.98 1.02 -0.45 -0.41 119.74 126.74 2gya s LYS 33 Ca -0.01 1.38 0.08 0.00 0.02 0.00 0.00 55.97 57.45 2gya s LYS 33 Cb -0.03 -3.75 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 2gya s LYS 33 CO -0.12 -0.82 -0.12 0.14 -0.92 0.00 0.00 175.35 173.51 2gya s VAL 34 N 3.65 3.15 0.71 3.17 -7.23 -1.25 0.62 120.40 123.23 2gya s VAL 34 Ca 0.51 -1.51 -0.16 0.00 -1.81 0.00 0.00 61.98 59.00 2gya s VAL 34 Cb -0.17 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.27 2gya s VAL 34 CO 0.14 0.00 1.12 0.00 -0.31 0.00 0.00 175.10 176.05 2gya n ALA 35 N 0.40 0.25 -0.11 1.32 0.00 -1.26 -3.61 120.51 117.50 2gya n ALA 35 Ca -0.13 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.05 2gya n ALA 35 Cb 0.54 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 2gya n ALA 35 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2gya h LYS 36 N -0.13 0.66 0.00 0.00 -0.00 -1.97 -2.81 116.57 112.32 2gya h LYS 36 Ca -0.48 -0.26 -0.02 0.00 -0.00 0.00 0.00 60.65 59.89 2gya h LYS 36 Cb 1.33 -0.03 -0.00 0.00 -0.00 0.00 0.00 32.23 33.52 2gya h LYS 36 CO 0.49 0.83 -0.11 0.38 -0.00 0.00 0.00 179.45 181.04 2gya h ASP 37 N 0.44 0.00 -1.63 7.07 2.03 -1.99 -3.42 116.42 118.90 2gya h ASP 37 Ca 0.08 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.76 2gya h ASP 37 Cb 0.60 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.10 2gya h ASP 37 CO 0.04 0.11 1.40 0.00 -1.03 0.00 0.00 179.24 179.75 2gya n ALA 38 N -2.38 1.36 -1.01 4.15 0.00 -1.06 -4.94 120.51 116.62 2gya n ALA 38 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2gya n ALA 38 Cb 0.20 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 16.95 2gya n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2gya n THR 39 N 7.08 0.00 0.12 0.00 5.66 -1.26 -4.92 114.28 120.96 2gya n THR 39 Ca 0.33 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.36 2gya n THR 39 Cb 0.33 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.08 2gya n THR 39 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2gya n LYS 40 N 0.00 2.73 0.21 1.09 4.01 -1.26 -4.62 118.16 120.32 2gya n LYS 40 Ca 0.00 -0.02 -0.16 0.00 -0.51 0.00 0.00 58.31 57.62 2gya n LYS 40 Cb 0.00 -0.94 -0.08 0.00 -0.51 0.00 0.00 35.03 33.51 2gya n LYS 40 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2gya h ALA 41 N 0.62 -0.79 -3.11 7.82 0.00 -1.97 -3.42 119.26 118.41 2gya h ALA 41 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2gya h ALA 41 Cb 0.18 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2gya h ALA 41 CO 0.00 -0.99 0.00 -0.85 0.00 0.00 0.00 179.25 177.41 2gya n GLU 42 N -5.47 0.86 -2.79 0.00 0.00 -1.26 -4.31 120.64 107.67 2gya n GLU 42 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.86 2gya n GLU 42 Cb 0.38 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.83 2gya n GLU 42 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2gya n ILE 43 N -0.86 -1.38 0.00 3.84 2.08 -1.26 -4.48 119.36 117.31 2gya n ILE 43 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2gya n ILE 43 Cb 0.00 -2.89 0.00 0.00 -0.75 0.00 0.00 39.64 36.00 2gya n ILE 43 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 2gya n LYS 44 N -3.51 0.00 0.00 0.38 2.85 -1.26 -4.96 118.16 111.66 2gya n LYS 44 Ca -0.15 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 2gya n LYS 44 Cb 0.63 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 2gya n LYS 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2gya n ALA 45 N 0.00 0.00 -0.41 0.58 0.00 -1.26 -4.90 120.51 114.53 2gya n ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gya n ALA 45 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2gya n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gya n ALA 46 N 0.00 0.00 -3.63 0.00 0.00 -1.26 -4.35 120.51 111.28 2gya n ALA 46 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2gya n ALA 46 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 2gya n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2gya s VAL 47 N -2.00 0.00 0.00 0.00 -7.23 -1.26 -4.70 120.40 105.20 2gya s VAL 47 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2gya s VAL 47 Cb 0.00 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 2gya s VAL 47 CO 0.00 0.00 0.00 1.67 -0.31 0.00 0.00 175.10 176.46 2gya n GLN 48 N 0.55 0.00 -0.06 4.82 7.27 -1.26 -4.32 117.38 124.38 2gya n GLN 48 Ca -0.02 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.92 2gya n GLN 48 Cb 0.59 -2.36 -0.04 0.00 2.41 0.00 0.00 30.24 30.84 2gya n GLN 48 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2gya n LYS 49 N -1.80 0.33 -0.03 3.69 0.00 -1.26 -4.49 118.16 114.60 2gya n LYS 49 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 58.31 58.34 2gya n LYS 49 Cb 0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 35.03 33.87 2gya n LYS 49 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2gya h LEU 50 N -0.58 -0.04 -9.71 3.14 3.38 -1.85 -3.44 115.31 106.20 2gya h LEU 50 Ca -0.26 -0.65 -0.52 0.00 0.09 0.00 0.00 57.88 56.54 2gya h LEU 50 Cb 1.07 0.01 0.04 0.00 0.09 0.00 0.00 40.66 41.87 2gya h LEU 50 CO -0.16 0.71 0.66 -0.36 0.09 0.00 0.00 178.44 179.39 2gya s PHE 51 N -2.71 3.21 -0.99 1.13 0.08 -1.26 -4.88 117.98 112.56 2gya s PHE 51 Ca -0.15 1.22 -0.18 0.00 0.12 0.00 0.00 56.93 57.94 2gya s PHE 51 Cb -0.01 -3.63 -0.09 0.00 -0.57 0.00 0.00 43.02 38.71 2gya s PHE 51 CO 0.55 -1.96 2.05 -1.91 -0.10 0.00 0.00 175.22 173.85 2gya n GLU 52 N 2.36 1.97 -3.87 0.44 4.07 -1.26 -4.03 120.64 120.32 2gya n GLU 52 Ca 0.05 -2.04 -0.03 0.00 -0.06 0.00 0.00 57.16 55.08 2gya n GLU 52 Cb 0.42 -2.99 0.02 0.00 -0.06 0.00 0.00 31.44 28.83 2gya n GLU 52 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2gya s VAL 53 N 4.33 0.00 -0.10 6.31 0.11 -1.26 -4.68 120.40 125.10 2gya s VAL 53 Ca 0.54 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2gya s VAL 53 Cb 0.14 -2.85 0.02 0.00 -1.53 0.00 0.00 36.38 32.17 2gya s VAL 53 CO 0.05 0.00 -0.09 -0.70 -3.33 0.00 0.00 175.10 171.03 2gya s GLU 54 N -2.22 1.58 0.14 1.54 2.12 -1.26 -4.27 118.70 116.32 2gya s GLU 54 Ca 0.21 -0.30 -0.04 0.00 0.36 0.00 0.00 54.97 55.21 2gya s GLU 54 Cb -0.03 -1.56 -0.05 0.00 0.26 0.00 0.00 34.13 32.75 2gya s GLU 54 CO 0.05 -0.21 0.36 0.14 -0.54 0.00 0.00 175.26 175.07 2gya s VAL 55 N 1.49 5.19 0.00 3.70 -7.23 -1.25 -2.15 120.40 120.15 2gya s VAL 55 Ca 0.01 -0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.13 2gya s VAL 55 Cb -0.13 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.17 2gya s VAL 55 CO -0.06 0.03 0.00 1.21 -0.31 0.00 0.00 175.10 175.97 2gya n GLU 56 N 0.03 0.00 -2.04 4.82 2.13 0.35 -4.93 120.64 121.00 2gya n GLU 56 Ca -0.03 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.40 2gya n GLU 56 Cb 0.52 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.23 2gya n GLU 56 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2gya s VAL 57 N 0.26 2.58 -0.02 6.31 -7.23 -1.25 -4.93 120.40 116.12 2gya s VAL 57 Ca 0.00 0.52 0.03 0.00 -1.81 0.00 0.00 61.98 60.72 2gya s VAL 57 Cb 0.00 -3.30 -0.00 0.00 0.56 0.00 0.00 36.38 33.63 2gya s VAL 57 CO 0.00 0.07 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.06 2gya s VAL 58 N -1.26 0.95 -0.08 1.32 1.01 -1.26 -2.64 120.40 118.43 2gya s VAL 58 Ca 0.57 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 2gya s VAL 58 Cb -0.38 -0.81 0.04 0.00 0.00 0.00 0.00 36.38 35.23 2gya s VAL 58 CO 0.49 0.28 0.12 0.20 0.00 0.00 0.00 175.10 176.19 2gya s ASN 59 N -0.08 1.07 -0.28 3.32 -0.87 -0.61 -5.04 114.94 112.44 2gya s ASN 59 Ca 0.01 0.13 -0.05 0.00 -1.57 0.00 0.00 52.86 51.37 2gya s ASN 59 Cb -0.07 0.08 0.01 0.00 -0.02 0.00 0.00 41.25 41.26 2gya s ASN 59 CO 0.00 -0.26 0.04 0.42 -2.57 0.00 0.00 177.10 174.73 2gya s THR 60 N 2.24 3.68 0.75 1.60 -4.23 -1.26 -1.09 115.64 117.32 2gya s THR 60 Ca 0.04 -0.76 -0.05 0.00 -1.18 0.00 0.00 61.69 59.74 2gya s THR 60 Cb -0.13 -2.88 0.11 0.00 1.34 0.00 0.00 72.50 70.94 2gya s THR 60 CO -0.05 0.13 1.04 -0.76 -0.54 0.00 0.00 174.62 174.44 2gya s LEU 61 N 1.46 2.90 -0.10 4.79 2.01 -1.16 -5.02 118.68 123.56 2gya s LEU 61 Ca 0.02 0.06 -0.06 0.00 0.01 0.00 0.00 54.13 54.16 2gya s LEU 61 Cb -0.17 -2.50 0.04 0.00 0.01 0.00 0.00 46.19 43.57 2gya s LEU 61 CO 0.01 -1.88 0.24 -0.69 1.01 0.00 0.00 176.35 175.04 2gya s VAL 62 N -3.28 -0.03 0.22 -1.59 1.01 -1.26 -4.36 120.40 111.11 2gya s VAL 62 Ca 0.65 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.71 2gya s VAL 62 Cb -0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 2gya s VAL 62 CO 0.46 0.04 0.20 0.54 0.00 0.00 0.00 175.10 176.33 2gya s VAL 63 N 0.90 0.00 0.00 2.92 0.11 -1.26 -5.04 120.40 118.02 2gya s VAL 63 Ca -0.06 -1.92 0.00 0.00 -2.93 0.00 0.00 61.98 57.07 2gya s VAL 63 Cb -0.08 -2.47 0.00 0.00 -1.53 0.00 0.00 36.38 32.31 2gya s VAL 63 CO -0.06 0.00 0.00 2.29 -3.33 0.00 0.00 175.10 174.00 2gya n LYS 64 N -0.33 0.00 0.00 1.54 0.00 -1.26 -4.26 118.16 113.85 2gya n LYS 64 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 2gya n LYS 64 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.68 2gya n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2gya n GLY 65 N -0.07 0.87 0.00 2.58 0.00 -1.26 -4.84 105.19 102.47 2gya n GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2gya n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gya n LYS 66 N 0.00 0.00 -0.32 1.61 3.00 -1.26 -4.92 118.16 116.27 2gya n LYS 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2gya n LYS 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2gya n LYS 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2gya n VAL 67 N 0.00 0.00 -4.13 3.15 0.31 -1.26 -4.64 118.33 111.76 2gya n VAL 67 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2gya n VAL 67 Cb 0.00 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 2gya n VAL 67 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2gya n LYS 68 N -0.99 0.00 0.00 5.55 0.00 -1.26 -4.96 118.16 116.50 2gya n LYS 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2gya n LYS 68 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2gya n LYS 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2gya n ARG 69 N 6.96 0.00 0.00 1.64 0.63 -1.26 -4.73 116.66 119.90 2gya n ARG 69 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2gya n ARG 69 Cb 0.00 -0.84 0.00 0.00 0.45 0.00 0.00 32.46 32.07 2gya n ARG 69 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2gya n HIS 70 N -2.00 0.00 -3.70 -0.14 8.25 -1.26 -5.18 115.22 111.19 2gya n HIS 70 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2gya n HIS 70 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 2gya n HIS 70 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2gya s GLY 71 N 0.00 -0.36 -1.57 -1.41 0.00 -1.26 -4.92 107.32 97.80 2gya s GLY 71 Ca 0.00 1.49 -0.18 0.00 0.00 0.00 0.00 44.72 46.03 2gya s GLY 71 CO 0.00 1.47 0.61 -0.18 0.00 0.00 0.00 173.10 174.99 2gya n GLN 72 N 3.57 -2.21 0.00 2.90 -0.06 -1.26 -4.89 117.38 115.43 2gya n GLN 72 Ca -0.18 0.26 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 2gya n GLN 72 Cb 0.56 -4.91 0.00 0.00 -4.06 0.00 0.00 30.24 21.83 2gya n GLN 72 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 2gya n ARG 73 N -4.00 3.18 -3.80 3.69 -4.01 -1.26 -5.17 116.66 105.29 2gya n ARG 73 Ca 0.08 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.76 2gya n ARG 73 Cb 0.48 0.00 -0.13 0.00 -3.04 0.00 0.00 32.46 29.77 2gya n ARG 73 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 2gya s ILE 74 N 1.41 -0.02 0.02 8.89 -1.09 -1.26 -5.07 121.20 124.08 2gya s ILE 74 Ca 0.00 0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.48 2gya s ILE 74 Cb 0.00 -0.19 -0.00 0.00 -1.58 0.00 0.00 42.46 40.68 2gya s ILE 74 CO 0.00 0.03 -0.02 0.61 -1.23 0.00 0.00 174.94 174.33 2gya n GLY 75 N 3.45 -0.04 0.29 6.18 0.00 -1.26 -5.00 105.19 108.82 2gya n GLY 75 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2gya n GLY 75 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2gya n ARG 76 N -2.91 0.00 -0.27 1.61 1.85 -1.26 -4.89 116.66 110.79 2gya n ARG 76 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 2gya n ARG 76 Cb 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.44 2gya n ARG 76 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2gya n ARG 77 N 0.18 0.00 -3.56 2.89 0.00 -1.26 -5.06 116.66 109.84 2gya n ARG 77 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 2gya n ARG 77 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 32.46 32.41 2gya n ARG 77 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2gya s SER 78 N 0.94 -0.76 0.83 2.89 1.04 -1.26 -4.75 113.70 112.63 2gya s SER 78 Ca 0.00 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.54 2gya s SER 78 Cb 0.00 1.66 0.00 0.00 0.10 0.00 0.00 66.02 67.78 2gya s SER 78 CO 0.00 -0.16 0.00 0.47 0.98 0.00 0.00 173.24 174.53 2gya n ASP 79 N 4.66 -0.68 -4.02 7.02 8.00 -1.26 -4.93 116.55 125.33 2gya n ASP 79 Ca -0.14 -0.49 -0.09 0.00 0.71 0.00 0.00 54.79 54.79 2gya n ASP 79 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.55 2gya n ASP 79 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 2gya s TRP 80 N -0.83 0.50 -0.00 1.24 -2.14 -1.26 -4.72 118.94 111.72 2gya s TRP 80 Ca 0.00 -0.93 0.00 0.00 2.66 0.00 0.00 56.10 57.83 2gya s TRP 80 Cb 0.00 -0.27 0.00 0.00 -3.10 0.00 0.00 33.47 30.10 2gya s TRP 80 CO 0.00 -0.52 -0.01 0.21 -2.66 0.00 0.00 176.95 173.97 2gya s LYS 81 N -3.95 0.09 1.09 3.25 2.47 -1.24 -4.73 119.74 116.73 2gya s LYS 81 Ca 0.13 -0.03 -0.14 0.00 -1.56 0.00 0.00 55.97 54.37 2gya s LYS 81 Cb 0.06 -0.10 0.18 0.00 -1.46 0.00 0.00 37.83 36.52 2gya s LYS 81 CO -0.05 0.02 0.68 0.36 0.16 0.00 0.00 175.35 176.51 2gya n LYS 82 N 3.09 -1.61 -3.78 4.03 -0.00 -1.26 -3.85 118.16 114.78 2gya n LYS 82 Ca -0.13 -0.44 -0.13 0.00 -0.00 0.00 0.00 58.31 57.62 2gya n LYS 82 Cb 0.59 -2.03 -0.14 0.00 -0.00 0.00 0.00 35.03 33.45 2gya n LYS 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2gya s ALA 83 N -2.40 -0.33 0.29 0.58 0.00 0.45 -2.99 121.76 117.37 2gya s ALA 83 Ca 0.63 0.59 -0.25 0.00 0.00 0.00 0.00 51.96 52.94 2gya s ALA 83 Cb -0.21 -0.38 -0.09 0.00 0.00 0.00 0.00 23.12 22.44 2gya s ALA 83 CO 0.65 -0.12 0.89 0.71 0.00 0.00 0.00 175.76 177.88 2gya s TYR 84 N 0.73 3.72 -0.27 0.00 1.51 -0.25 -3.64 117.35 119.14 2gya s TYR 84 Ca -0.05 1.70 -0.01 0.00 -1.01 0.00 0.00 57.07 57.70 2gya s TYR 84 Cb -0.07 -2.86 0.13 0.00 -0.11 0.00 0.00 41.96 39.06 2gya s TYR 84 CO -0.04 0.27 0.31 0.54 -1.11 0.00 0.00 175.55 175.53 2gya s VAL 85 N -1.54 -0.45 0.03 0.71 0.11 -0.82 -1.58 120.40 116.86 2gya s VAL 85 Ca 0.47 -0.36 -0.30 0.00 -2.93 0.00 0.00 61.98 58.86 2gya s VAL 85 Cb -0.19 -0.93 -0.06 0.00 -1.53 0.00 0.00 36.38 33.67 2gya s VAL 85 CO 0.24 -0.36 1.42 -0.89 -3.33 0.00 0.00 175.10 172.17 2gya s THR 86 N 2.41 3.57 0.00 5.04 2.01 -1.08 -3.29 115.64 124.30 2gya s THR 86 Ca 0.10 1.01 0.00 0.00 0.31 0.00 0.00 61.69 63.11 2gya s THR 86 Cb -0.14 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2gya s THR 86 CO -0.28 0.02 0.00 0.18 -0.69 0.00 0.00 174.62 173.85 2gya n LEU 87 N 5.05 0.00 -3.62 4.42 4.32 -1.26 -0.50 117.00 125.41 2gya n LEU 87 Ca 0.13 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 56.08 2gya n LEU 87 Cb 0.43 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.22 2gya n LEU 87 CO 0.59 0.00 0.86 -0.75 -1.22 0.00 0.00 177.39 176.87 2gya s LYS 88 N 0.00 0.69 -0.89 3.23 2.20 -0.91 -0.61 119.74 123.45 2gya s LYS 88 Ca 0.00 -0.33 -0.26 0.00 -0.36 0.00 0.00 55.97 55.02 2gya s LYS 88 Cb 0.00 0.27 -0.17 0.00 -1.51 0.00 0.00 37.83 36.42 2gya s LYS 88 CO 0.00 -0.31 2.32 -2.00 -0.36 0.00 0.00 175.35 175.00 2gya s GLU 89 N -2.83 1.41 0.00 4.03 2.56 -1.26 -4.40 118.70 118.20 2gya s GLU 89 Ca 0.10 0.20 0.00 0.00 0.00 0.00 0.00 54.97 55.27 2gya s GLU 89 Cb 0.00 -4.84 0.00 0.00 2.00 0.00 0.00 34.13 31.29 2gya s GLU 89 CO -0.04 -4.87 0.00 0.41 -0.56 0.00 0.00 175.26 170.20 2gya n GLY 90 N 6.60 1.26 3.26 -1.50 0.00 -1.26 -5.13 105.19 108.41 2gya n GLY 90 Ca 0.45 0.25 -0.25 0.00 0.00 0.00 0.00 46.02 46.47 2gya n GLY 90 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2gya s GLN 91 N 1.91 1.28 -0.72 1.61 2.00 -1.26 -5.09 119.66 119.39 2gya s GLN 91 Ca 0.00 -1.01 -0.20 0.00 -2.00 0.00 0.00 55.36 52.15 2gya s GLN 91 Cb 0.00 -1.44 0.11 0.00 0.80 0.00 0.00 33.01 32.47 2gya s GLN 91 CO 0.00 0.36 0.91 0.54 -0.50 0.00 0.00 175.29 176.60 2gya s ASN 92 N -1.43 6.33 0.00 6.67 2.20 -1.26 -4.64 114.94 122.81 2gya s ASN 92 Ca 0.07 -1.51 0.00 0.00 -0.94 0.00 0.00 52.86 50.48 2gya s ASN 92 Cb -0.09 -2.36 0.00 0.00 -2.00 0.00 0.00 41.25 36.79 2gya s ASN 92 CO 0.03 -1.19 0.00 0.00 -2.94 0.00 0.00 177.10 173.00 2gya n LEU 93 N 6.75 0.00 0.00 3.54 -0.00 -1.26 -3.00 117.00 123.03 2gya n LEU 93 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 2gya n LEU 93 Cb 0.45 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 2gya n LEU 93 CO 0.57 0.00 0.00 -0.67 -0.00 0.00 0.00 177.39 177.29 2gya n ASP 94 N 0.00 -2.54 0.00 1.45 2.03 -1.26 -4.31 116.55 111.91 2gya n ASP 94 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2gya n ASP 94 Cb 0.00 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 2gya n ASP 94 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2gya n PHE 95 N -2.85 0.00 -1.63 -0.67 -1.74 -1.16 -5.14 117.46 104.27 2gya n PHE 95 Ca 0.00 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.49 2gya n PHE 95 Cb 0.00 0.00 0.03 0.00 1.52 0.00 0.00 39.48 41.03 2gya n PHE 95 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 2gya n VAL 96 N -0.53 2.88 0.00 1.97 0.31 -1.26 -4.70 118.33 117.00 2gya n VAL 96 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2gya n VAL 96 Cb 0.00 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 2gya n VAL 96 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2gya n GLY 97 N 1.16 0.20 0.00 2.92 0.00 -1.26 -4.78 105.19 103.43 2gya n GLY 97 Ca 0.10 -1.61 0.06 0.00 0.00 0.00 0.00 46.02 44.58 2gya n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93