#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgo s ALA 22 N 0.00 2.12 -0.16 3.04 0.00 -1.26 -4.89 121.76 120.62 2kgo s ALA 22 Ca 0.00 -1.88 -0.04 0.00 0.00 0.00 0.00 51.96 50.04 2kgo s ALA 22 Cb 0.00 -4.56 0.08 0.00 0.00 0.00 0.00 23.12 18.64 2kgo s ALA 22 CO 0.00 -4.33 0.27 -1.54 0.00 0.00 0.00 175.76 170.16 2kgo s SER 23 N 6.66 0.55 -0.91 0.00 1.04 -1.26 -4.89 113.70 114.89 2kgo s SER 23 Ca 0.60 0.39 -0.03 0.00 0.48 0.00 0.00 55.95 57.39 2kgo s SER 23 Cb -0.03 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2kgo s SER 23 CO -0.03 -0.26 0.78 0.61 0.98 0.00 0.00 173.24 175.31 2kgo n GLY 24 N 5.35 -0.12 0.07 7.32 0.00 -1.26 -4.97 105.19 111.58 2kgo n GLY 24 Ca -0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 2kgo n GLY 24 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2kgo n TRP 25 N -3.77 0.00 0.00 1.61 4.27 -1.26 -4.93 117.44 113.36 2kgo n TRP 25 Ca -0.10 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.51 2kgo n TRP 25 Cb 0.58 -0.69 0.00 0.00 -1.36 0.00 0.00 31.31 29.84 2kgo n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2kgo n ALA 26 N -2.50 0.00 -2.29 -1.67 0.00 -1.26 -5.07 120.51 107.71 2kgo n ALA 26 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.86 2kgo n ALA 26 Cb 0.93 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.35 2kgo n ALA 26 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kgo s ASN 27 N -0.89 5.75 0.30 0.00 0.01 -1.26 -4.95 114.94 113.90 2kgo s ASN 27 Ca 0.00 -0.65 0.10 0.00 -0.71 0.00 0.00 52.86 51.60 2kgo s ASN 27 Cb 0.00 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.05 2kgo s ASN 27 CO 0.00 -2.14 -0.05 -1.81 -1.51 0.00 0.00 177.10 171.59 2kgo s ASP 28 N 6.36 4.17 0.10 -1.22 1.01 -1.26 -4.83 116.67 121.00 2kgo s ASP 28 Ca 0.56 -0.87 -0.15 0.00 0.71 0.00 0.00 52.55 52.80 2kgo s ASP 28 Cb -0.06 -0.59 -0.07 0.00 1.01 0.00 0.00 42.92 43.20 2kgo s ASP 28 CO 0.04 -0.08 1.44 0.44 0.21 0.00 0.00 175.17 177.22 2kgo h ASP 29 N 1.95 0.76 -0.00 0.27 5.19 -1.99 -2.40 116.42 120.20 2kgo h ASP 29 Ca -0.43 -0.45 0.00 0.00 -0.62 0.00 0.00 57.03 55.53 2kgo h ASP 29 Cb 1.25 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.55 2kgo h ASP 29 CO 0.63 1.05 0.00 0.00 -3.12 0.00 0.00 179.24 177.80 2kgo n ALA 30 N -2.49 2.50 0.00 3.45 0.00 -1.26 -2.55 120.51 120.16 2kgo n ALA 30 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2kgo n ALA 30 Cb 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2kgo n ALA 30 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2kgo n VAL 31 N -0.33 0.00 0.14 0.00 3.14 -1.21 -4.78 118.33 115.29 2kgo n VAL 31 Ca 0.00 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.40 2kgo n VAL 31 Cb 0.09 -0.09 0.11 0.00 -1.06 0.00 0.00 33.84 32.88 2kgo n VAL 31 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 2kgo h ASN 32 N 0.00 0.00 0.67 6.55 -0.00 -1.14 -3.21 115.58 118.45 2kgo h ASN 32 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 2kgo h ASN 32 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.58 2kgo h ASN 32 CO 0.00 0.55 -0.14 1.05 -0.00 0.00 0.00 177.43 178.90 2kgo h GLU 33 N 0.00 0.00 -0.04 6.67 -0.00 -1.79 0.53 114.58 119.95 2kgo h GLU 33 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 59.36 59.10 2kgo h GLU 33 Cb 1.28 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 30.05 2kgo h GLU 33 CO 0.07 0.14 -0.96 0.37 -0.00 0.00 0.00 179.01 178.63 2kgo h GLN 34 N 0.00 0.73 0.00 1.06 -0.00 -1.87 -3.18 115.11 111.85 2kgo h GLN 34 Ca -0.00 -0.73 -0.06 0.00 -0.00 0.00 0.00 58.65 57.86 2kgo h GLN 34 Cb 0.51 0.19 -0.01 0.00 0.00 0.00 0.00 27.48 28.17 2kgo h GLN 34 CO 0.02 1.31 -0.28 0.82 0.00 0.00 0.00 178.83 180.69 2kgo h ILE 35 N 0.43 0.89 -4.04 2.39 2.04 -1.44 -3.44 117.51 114.34 2kgo h ILE 35 Ca -0.11 -1.11 -0.53 0.00 1.00 0.00 0.00 64.86 64.12 2kgo h ILE 35 Cb 1.61 1.66 0.10 0.00 -0.74 0.00 0.00 36.82 39.45 2kgo h ILE 35 CO 0.19 0.28 0.53 0.21 0.00 0.00 0.00 178.15 179.36 2kgo s ASN 36 N -6.50 5.60 0.00 1.72 3.84 0.10 -4.91 114.94 114.80 2kgo s ASN 36 Ca -0.02 2.51 0.14 0.00 0.21 0.00 0.00 52.86 55.71 2kgo s ASN 36 Cb 0.13 -2.62 0.82 0.00 -0.55 0.00 0.00 41.25 39.03 2kgo s ASN 36 CO 0.66 -1.32 1.30 -1.54 -2.79 0.00 0.00 177.10 173.42 2kgo n SER 37 N -0.93 0.00 -0.33 -4.21 3.41 -1.26 -2.84 113.62 107.47 2kgo n SER 37 Ca 0.10 -0.31 0.01 0.00 -0.26 0.00 0.00 58.87 58.41 2kgo n SER 37 Cb 0.47 -0.08 0.18 0.00 -0.26 0.00 0.00 64.21 64.53 2kgo n SER 37 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2kgo h THR 38 N 0.00 1.17 -0.26 6.66 2.02 -1.91 -1.25 112.91 119.34 2kgo h THR 38 Ca 0.00 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 2kgo h THR 38 Cb 0.03 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.32 2kgo h THR 38 CO 0.00 0.22 -0.07 0.40 0.37 0.00 0.00 175.52 176.44 2kgo h ILE 39 N 1.18 1.28 -0.02 3.11 1.08 -1.77 -1.47 117.51 120.91 2kgo h ILE 39 Ca 0.37 -1.09 -0.16 0.00 -0.39 0.00 0.00 64.86 63.58 2kgo h ILE 39 Cb -0.00 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.19 2kgo h ILE 39 CO -0.11 0.34 -0.74 1.05 -0.69 0.00 0.00 178.15 178.00 2kgo h GLU 40 N 0.26 0.13 -0.37 2.37 4.11 -1.73 -1.54 114.58 117.80 2kgo h GLU 40 Ca 0.07 -0.12 -0.14 0.00 0.07 0.00 0.00 59.36 59.24 2kgo h GLU 40 Cb 0.54 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2kgo h GLU 40 CO 0.03 0.81 -0.34 0.22 0.07 0.00 0.00 179.01 179.80 2kgo h ASP 41 N 0.08 0.89 -0.13 3.06 3.58 -1.22 0.38 116.42 123.06 2kgo h ASP 41 Ca -0.02 -0.38 -0.01 0.00 0.42 0.00 0.00 57.03 57.04 2kgo h ASP 41 Cb 1.30 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 2kgo h ASP 41 CO 0.11 1.14 0.04 0.00 -2.88 0.00 0.00 179.24 177.65 2kgo h ALA 42 N 0.91 0.17 -0.05 -0.78 0.00 -1.02 -2.88 119.26 115.61 2kgo h ALA 42 Ca 0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2kgo h ALA 42 Cb 0.90 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2kgo h ALA 42 CO 0.08 -0.21 -0.40 0.82 0.00 0.00 0.00 179.25 179.54 2kgo h ILE 43 N 0.03 1.30 -0.46 0.00 1.08 -1.23 -0.39 117.51 117.85 2kgo h ILE 43 Ca 0.04 -1.44 -0.03 0.00 -0.39 0.00 0.00 64.86 63.05 2kgo h ILE 43 Cb 0.22 1.71 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 2kgo h ILE 43 CO -0.00 0.42 0.17 0.00 -0.69 0.00 0.00 178.15 178.05 2kgo h ALA 44 N 1.51 0.60 0.00 1.87 0.00 -0.84 -2.17 119.26 120.22 2kgo h ALA 44 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kgo h ALA 44 Cb 0.75 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2kgo h ALA 44 CO 0.06 0.22 -0.62 0.07 0.00 0.00 0.00 179.25 178.97 2kgo h ARG 45 N 0.60 0.00 0.18 0.00 0.11 -1.43 -2.70 114.38 111.13 2kgo h ARG 45 Ca 0.15 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.22 2kgo h ARG 45 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 2kgo h ARG 45 CO -0.01 0.00 -0.09 0.00 0.10 0.00 0.00 179.97 179.97 2kgo h ALA 46 N 2.02 -0.24 0.00 0.08 0.00 -0.83 -3.42 119.26 116.87 2kgo h ALA 46 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kgo h ALA 46 Cb 0.99 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kgo h ALA 46 CO 0.00 -0.32 -0.01 2.89 0.00 0.00 0.00 179.25 181.82 2kgo n ARG 47 N -4.94 3.70 -2.31 0.00 1.85 -0.84 -5.04 116.66 109.09 2kgo n ARG 47 Ca -0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.72 2kgo n ARG 47 Cb 0.26 -0.27 0.00 0.00 -1.05 0.00 0.00 32.46 31.40 2kgo n ARG 47 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kgo n GLY 48 N 0.54 0.30 0.18 2.89 0.00 -1.02 -4.99 105.19 103.09 2kgo n GLY 48 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 2kgo n GLY 48 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kgo h GLU 49 N -0.21 -0.34 -6.67 1.61 4.81 -1.75 -3.43 114.58 108.59 2kgo h GLU 49 Ca -0.12 0.02 -0.52 0.00 -0.13 0.00 0.00 59.36 58.61 2kgo h GLU 49 Cb 1.09 0.08 0.03 0.00 0.63 0.00 0.00 28.75 30.58 2kgo h GLU 49 CO 0.14 -0.06 0.65 0.42 -0.73 0.00 0.00 179.01 179.43 2kgo s ILE 50 N -3.27 3.24 1.31 2.32 -1.09 -1.26 -5.04 121.20 117.41 2kgo s ILE 50 Ca -0.10 1.01 -0.21 0.00 -2.23 0.00 0.00 60.65 59.13 2kgo s ILE 50 Cb 0.01 -3.65 0.33 0.00 -1.58 0.00 0.00 42.46 37.57 2kgo s ILE 50 CO 0.34 0.15 1.02 -2.16 -1.23 0.00 0.00 174.94 173.05 2kgo s PRO 51 N -0.07 -2.09 -1.60 2.79 0.04 -1.26 -4.76 135.00 128.05 2kgo s PRO 51 Ca 0.57 0.07 -0.10 0.00 0.04 0.00 0.00 61.00 61.57 2kgo s PRO 51 Cb -0.36 -1.48 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 2kgo s PRO 51 CO 0.38 -4.31 2.86 0.54 0.04 0.00 0.00 177.00 176.51 2kgo n ARG 52 N -5.21 3.61 -1.14 4.56 5.12 -1.26 -4.52 116.66 117.82 2kgo n ARG 52 Ca 0.12 -2.28 -0.05 0.00 -1.93 0.00 0.00 57.85 53.72 2kgo n ARG 52 Cb 0.60 -2.86 -0.02 0.00 -1.16 0.00 0.00 32.46 29.01 2kgo n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kgo n GLY 53 N 3.61 0.56 0.00 -0.13 0.00 -1.26 -4.95 105.19 103.02 2kgo n GLY 53 Ca 0.75 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2kgo n GLY 53 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kgo n GLU 54 N -0.72 3.20 -1.25 1.61 0.28 -1.26 -4.67 120.64 117.83 2kgo n GLU 54 Ca -0.05 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.65 2kgo n GLU 54 Cb 0.42 0.00 0.12 0.00 1.43 0.00 0.00 31.44 33.41 2kgo n GLU 54 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2kgo s SER 55 N 0.17 3.98 0.33 -1.84 0.01 -1.26 -4.36 113.70 110.73 2kgo s SER 55 Ca 0.00 1.62 0.04 0.00 1.31 0.00 0.00 55.95 58.91 2kgo s SER 55 Cb 0.00 -2.31 0.04 0.00 0.21 0.00 0.00 66.02 63.95 2kgo s SER 55 CO 0.00 -2.34 0.30 0.00 0.41 0.00 0.00 173.24 171.61 2kgo n LEU 56 N -3.70 0.00 0.00 2.44 -0.00 -1.17 -4.90 117.00 109.67 2kgo n LEU 56 Ca 0.08 -1.61 0.00 0.00 -0.00 0.00 0.00 56.01 54.47 2kgo n LEU 56 Cb 0.54 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 2kgo n LEU 56 CO 0.55 -0.50 0.40 -0.90 -0.00 0.00 0.00 177.39 176.94 2kgo n ASP 57 N -2.10 1.49 -3.60 1.45 5.75 -1.26 -4.87 116.55 113.42 2kgo n ASP 57 Ca 0.02 -1.63 -0.19 0.00 -0.01 0.00 0.00 54.79 52.98 2kgo n ASP 57 Cb 0.36 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.30 2kgo n ASP 57 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2kgo s GLU 58 N -0.63 0.09 0.01 0.11 2.02 -1.26 -2.97 118.70 116.06 2kgo s GLU 58 Ca 0.00 0.32 -0.37 0.00 0.02 0.00 0.00 54.97 54.94 2kgo s GLU 58 Cb 0.00 -0.89 -0.15 0.00 0.10 0.00 0.00 34.13 33.19 2kgo s GLU 58 CO 0.00 -0.49 1.53 0.00 0.02 0.00 0.00 175.26 176.32 2kgo n GLU 60 N 3.71 0.15 -0.08 0.00 0.28 -0.51 -0.70 120.64 123.49 2kgo n GLU 60 Ca 0.20 0.39 -0.10 0.00 -0.16 0.00 0.00 57.16 57.49 2kgo n GLU 60 Cb 0.21 -1.79 -0.06 0.00 1.43 0.00 0.00 31.44 31.23 2kgo n GLU 60 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2kgo h GLU 61 N 0.00 0.00 0.00 3.44 4.39 -1.91 -3.43 114.58 117.07 2kgo h GLU 61 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kgo h GLU 61 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2kgo h GLU 61 CO 0.00 0.47 -0.14 0.00 -1.16 0.00 0.00 179.01 178.18 2kgo n GLY 63 N -0.35 1.43 3.78 0.00 0.00 0.12 -4.96 105.19 105.22 2kgo n GLY 63 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2kgo n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgo s ALA 64 N -2.25 3.00 -0.29 4.61 0.00 -1.26 -4.45 121.76 121.11 2kgo s ALA 64 Ca 0.00 0.71 -0.34 0.00 0.00 0.00 0.00 51.96 52.34 2kgo s ALA 64 Cb 0.00 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 2kgo s ALA 64 CO 0.00 -0.32 2.16 -2.30 0.00 0.00 0.00 175.76 175.30 2kgo n PRO 65 N -0.40 1.37 -2.23 0.00 -0.02 -1.26 -1.68 135.00 130.79 2kgo n PRO 65 Ca 0.07 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 2kgo n PRO 65 Cb 0.50 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 2kgo n PRO 65 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kgo s ILE 66 N 7.15 3.84 0.45 4.25 -1.09 -1.16 -4.72 121.20 129.93 2kgo s ILE 66 Ca 1.06 1.12 -0.21 0.00 -2.23 0.00 0.00 60.65 60.39 2kgo s ILE 66 Cb -0.73 -3.72 -0.09 0.00 -1.58 0.00 0.00 42.46 36.33 2kgo s ILE 66 CO 0.47 -0.05 1.01 -2.16 -1.23 0.00 0.00 174.94 172.98 2kgo s PRO 67 N 3.09 4.00 0.64 2.79 0.04 -1.26 -4.87 135.00 139.42 2kgo s PRO 67 Ca 0.64 1.31 0.40 0.00 0.04 0.00 0.00 61.00 63.38 2kgo s PRO 67 Cb -0.29 -2.20 2.18 0.00 0.04 0.00 0.00 34.50 34.23 2kgo s PRO 67 CO 0.24 -0.25 2.31 -0.56 0.04 0.00 0.00 177.00 178.78 2kgo h GLN 68 N 1.84 0.00 -0.03 4.56 -0.00 -1.96 -2.28 115.11 117.24 2kgo h GLN 68 Ca -0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.16 2kgo h GLN 68 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.69 2kgo h GLN 68 CO 0.60 0.01 0.02 0.00 -0.00 0.00 0.00 178.83 179.46 2kgo h ALA 69 N 1.99 0.04 -0.16 0.06 0.00 -2.00 -1.37 119.26 117.83 2kgo h ALA 69 Ca -0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2kgo h ALA 69 Cb 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kgo h ALA 69 CO 0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 179.25 178.56 2kgo h ARG 70 N -0.01 0.29 -0.45 0.00 2.47 -1.81 -2.14 114.38 112.73 2kgo h ARG 70 Ca 0.01 -0.10 -0.13 0.00 -1.26 0.00 0.00 59.98 58.50 2kgo h ARG 70 Cb 0.05 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 2kgo h ARG 70 CO -0.00 0.53 -0.23 0.00 0.56 0.00 0.00 179.97 180.83 2kgo h ARG 71 N 0.26 0.94 0.00 0.04 3.08 -1.21 -0.82 114.38 116.66 2kgo h ARG 71 Ca 0.04 -0.42 -0.24 0.00 0.07 0.00 0.00 59.98 59.43 2kgo h ARG 71 Cb 0.60 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 2kgo h ARG 71 CO 0.04 1.08 -1.42 1.05 -1.07 0.00 0.00 179.97 179.65 2kgo h GLU 72 N 0.78 0.00 -0.05 0.04 -0.00 -1.26 -3.35 114.58 110.74 2kgo h GLU 72 Ca 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.40 2kgo h GLU 72 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.55 2kgo h GLU 72 CO 0.07 0.60 -0.19 0.00 -0.00 0.00 0.00 179.01 179.48 2kgo h ALA 73 N 1.08 0.10 -3.23 1.06 0.00 -1.44 -3.42 119.26 113.40 2kgo h ALA 73 Ca -0.18 -0.39 -0.69 0.00 0.00 0.00 0.00 54.91 53.65 2kgo h ALA 73 Cb 1.86 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 19.31 2kgo h ALA 73 CO 0.09 0.05 -0.59 0.42 0.00 0.00 0.00 179.25 179.22 2kgo s ILE 74 N -3.72 3.26 -0.69 0.00 1.01 -0.31 -5.06 121.20 115.69 2kgo s ILE 74 Ca -0.15 -1.82 -0.26 0.00 0.00 0.00 0.00 60.65 58.42 2kgo s ILE 74 Cb 0.03 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 2kgo s ILE 74 CO 0.74 -0.51 2.07 -2.16 0.00 0.00 0.00 174.94 175.08 2kgo s PRO 75 N 1.19 2.36 0.00 2.79 0.04 -1.26 -2.63 135.00 137.48 2kgo s PRO 75 Ca 0.04 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.60 2kgo s PRO 75 Cb -0.22 -4.66 0.00 0.00 0.04 0.00 0.00 34.50 29.66 2kgo s PRO 75 CO -0.03 -3.25 0.00 0.41 0.04 0.00 0.00 177.00 174.17 2kgo n GLY 76 N 6.21 1.24 3.77 0.56 0.00 -1.26 -4.82 105.19 110.89 2kgo n GLY 76 Ca 0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 2kgo n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kgo s VAL 77 N -2.00 3.16 -0.01 1.61 0.11 -1.08 -4.79 120.40 117.40 2kgo s VAL 77 Ca 0.00 1.08 0.01 0.00 -2.93 0.00 0.00 61.98 60.15 2kgo s VAL 77 Cb 0.00 -3.66 0.02 0.00 -1.53 0.00 0.00 36.38 31.22 2kgo s VAL 77 CO 0.00 0.19 0.76 -2.11 -3.33 0.00 0.00 175.10 170.61 2kgo n ARG 78 N 0.62 0.91 -4.37 1.54 -4.01 -1.26 -3.03 116.66 107.06 2kgo n ARG 78 Ca 0.01 -1.00 -0.23 0.00 -1.04 0.00 0.00 57.85 55.59 2kgo n ARG 78 Cb 0.45 -0.71 -0.17 0.00 -3.04 0.00 0.00 32.46 28.99 2kgo n ARG 78 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2kgo s LEU 79 N -0.49 1.48 0.75 2.89 1.43 -1.26 -1.42 118.68 122.06 2kgo s LEU 79 Ca 0.02 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.76 2kgo s LEU 79 Cb 0.02 -0.69 0.05 0.00 0.03 0.00 0.00 46.19 45.60 2kgo s LEU 79 CO 0.00 -0.01 1.13 0.00 0.23 0.00 0.00 176.35 177.70 2kgo h ILE 81 N -0.74 0.43 0.33 0.00 2.10 -1.96 0.28 117.51 117.96 2kgo h ILE 81 Ca -0.45 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.47 2kgo h ILE 81 Cb 1.26 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.57 2kgo h ILE 81 CO 0.50 0.00 -0.16 0.45 -1.08 0.00 0.00 178.15 177.86 2kgo h HIS 82 N 0.00 -0.41 0.00 2.19 3.86 -1.97 -2.24 115.15 116.58 2kgo h HIS 82 Ca 0.29 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2kgo h HIS 82 Cb 1.40 0.14 0.00 0.00 1.06 0.00 0.00 27.41 30.01 2kgo h HIS 82 CO 0.00 -0.14 0.00 0.00 0.86 0.00 0.00 177.93 178.65 2kgo h GLN 84 N 0.00 0.02 -0.57 0.00 -0.00 -0.58 -3.30 115.11 110.69 2kgo h GLN 84 Ca 0.00 -0.03 0.07 0.00 -0.00 0.00 0.00 58.65 58.69 2kgo h GLN 84 Cb 0.48 0.01 -0.03 0.00 0.00 0.00 0.00 27.48 27.94 2kgo h GLN 84 CO 0.00 1.01 0.38 -0.56 0.00 0.00 0.00 178.83 179.66 2kgo h GLN 85 N -0.96 0.47 -0.32 1.69 3.07 -1.43 0.11 115.11 117.73 2kgo h GLN 85 Ca -0.06 -0.03 -0.17 0.00 0.09 0.00 0.00 58.65 58.48 2kgo h GLN 85 Cb 1.08 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 28.53 2kgo h GLN 85 CO -0.02 0.31 -0.47 1.05 0.09 0.00 0.00 178.83 179.79 2kgo h GLU 86 N 0.48 0.88 0.00 0.06 4.11 -1.73 -3.22 114.58 115.17 2kgo h GLU 86 Ca 0.25 -0.52 -0.08 0.00 0.07 0.00 0.00 59.36 59.08 2kgo h GLU 86 Cb 0.37 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2kgo h GLU 86 CO -0.07 1.17 -0.37 0.87 0.07 0.00 0.00 179.01 180.67 2kgo h LYS 87 N 0.68 0.00 -0.01 1.06 1.79 -1.15 -3.04 116.57 115.89 2kgo h LYS 87 Ca 0.03 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 2kgo h LYS 87 Cb 1.08 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2kgo h LYS 87 CO 0.11 0.37 -0.14 0.22 -1.08 0.00 0.00 179.45 178.93 2kgo h ASP 88 N 0.00 0.02 -0.19 0.86 3.58 -0.87 -0.65 116.42 119.17 2kgo h ASP 88 Ca -0.00 -0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 2kgo h ASP 88 Cb 1.11 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 2kgo h ASP 88 CO 0.05 0.16 -0.41 -0.07 -2.88 0.00 0.00 179.24 176.09 2kgo h LEU 89 N 0.02 0.78 0.00 2.28 3.38 -1.57 -3.23 115.31 116.96 2kgo h LEU 89 Ca 0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2kgo h LEU 89 Cb 0.26 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2kgo h LEU 89 CO 0.02 1.09 -0.14 0.00 0.09 0.00 0.00 178.44 179.50 2kgo n GLN 90 N -4.04 0.01 -1.86 1.13 1.13 -0.39 -4.76 117.38 108.60 2kgo n GLN 90 Ca -0.02 0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.62 2kgo n GLN 90 Cb 0.54 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 29.35 2kgo n GLN 90 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2kgo s LYS 91 N -3.00 4.17 0.43 -1.09 1.02 -0.42 -4.92 119.74 115.93 2kgo s LYS 91 Ca 0.13 2.38 0.17 0.00 0.02 0.00 0.00 55.97 58.66 2kgo s LYS 91 Cb 0.18 -4.02 0.98 0.00 -0.52 0.00 0.00 37.83 34.46 2kgo s LYS 91 CO 0.58 -0.88 1.94 -1.00 -0.92 0.00 0.00 175.35 175.07 2kgo h PRO 92 N 9.84 0.00 -1.16 -1.68 0.13 -1.91 -3.47 132.00 133.76 2kgo h PRO 92 Ca -0.44 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.37 2kgo h PRO 92 Cb 1.20 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 2kgo h PRO 92 CO 0.95 0.24 -0.33 0.00 -0.23 0.00 0.00 178.00 178.63 2kgo n ALA 93 N -2.43 -0.30 -3.35 -0.56 0.00 -1.26 -4.99 120.51 107.62 2kgo n ALA 93 Ca -0.02 0.22 -0.09 0.00 0.00 0.00 0.00 53.44 53.56 2kgo n ALA 93 Cb 0.31 -1.72 -0.04 0.00 0.00 0.00 0.00 19.45 18.00 2kgo n ALA 93 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kgo s TYR 94 N -2.65 0.10 -0.04 0.00 1.13 -1.26 -5.09 117.35 109.54 2kgo s TYR 94 Ca 0.00 -0.48 -0.02 0.00 -1.41 0.00 0.00 57.07 55.16 2kgo s TYR 94 Cb 0.00 0.35 -0.02 0.00 -1.10 0.00 0.00 41.96 41.20 2kgo s TYR 94 CO 0.00 -1.01 -0.05 0.25 -2.51 0.00 0.00 175.55 172.23 2kgo n THR 95 N -0.38 0.25 -2.60 -3.49 -2.24 -1.26 -5.03 114.28 99.53 2kgo n THR 95 Ca -0.05 -0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 2kgo n THR 95 Cb 0.61 -1.56 0.01 0.00 -2.10 0.00 0.00 70.33 67.29 2kgo n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kgo n GLY 96 N 2.77 -0.46 3.94 3.38 0.00 -1.26 -4.99 105.19 108.58 2kgo n GLY 96 Ca -0.07 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 2kgo n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kgo s TYR 97 N -3.05 3.38 -0.33 1.61 1.51 -1.26 -5.09 117.35 114.11 2kgo s TYR 97 Ca 0.10 0.35 0.02 0.00 -1.01 0.00 0.00 57.07 56.54 2kgo s TYR 97 Cb -0.05 -2.13 0.15 0.00 -0.11 0.00 0.00 41.96 39.83 2kgo s TYR 97 CO 0.13 -0.14 0.38 1.21 -1.11 0.00 0.00 175.55 176.02 2kgo s ASN 98 N -4.13 0.92 -0.55 2.29 3.84 -1.26 -5.09 114.94 110.97 2kgo s ASN 98 Ca 0.45 -1.04 0.04 0.00 0.21 0.00 0.00 52.86 52.51 2kgo s ASN 98 Cb -0.10 0.77 0.14 0.00 -0.55 0.00 0.00 41.25 41.51 2kgo s ASN 98 CO 0.38 -0.31 0.30 -0.13 -2.79 0.00 0.00 177.10 174.55 2kgo s ARG 99 N 1.95 2.08 -0.03 0.43 1.81 -1.26 -5.09 118.95 118.84 2kgo s ARG 99 Ca 0.13 -2.73 -0.30 0.00 -1.72 0.00 0.00 55.73 51.11 2kgo s ARG 99 Cb -0.13 -3.36 -0.06 0.00 -0.45 0.00 0.00 34.95 30.95 2kgo s ARG 99 CO -0.17 -1.14 1.61 -0.98 -0.68 0.00 0.00 175.30 173.94 2kgo s ARG 100 N -0.46 4.20 0.00 3.54 1.70 -1.26 -4.93 118.95 121.74 2kgo s ARG 100 Ca 0.18 2.17 0.00 0.00 -0.47 0.00 0.00 55.73 57.61 2kgo s ARG 100 Cb -0.23 -3.87 0.00 0.00 -0.57 0.00 0.00 34.95 30.28 2kgo s ARG 100 CO -0.03 -0.79 0.00 0.41 -1.08 0.00 0.00 175.30 173.81 2kgo n GLY 101 N 4.04 3.32 3.89 3.88 0.00 -1.26 -5.18 105.19 113.88 2kgo n GLY 101 Ca 0.16 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 2kgo n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kgo s SER 102 N 0.00 5.83 0.25 1.61 0.15 -1.26 -5.14 113.70 115.15 2kgo s SER 102 Ca 0.00 -0.14 -0.13 0.00 0.70 0.00 0.00 55.95 56.38 2kgo s SER 102 Cb 0.00 -1.55 -0.00 0.00 -1.71 0.00 0.00 66.02 62.76 2kgo s SER 102 CO 0.00 -0.09 0.50 -0.75 1.20 0.00 0.00 173.24 174.10 2kgo s LYS 103 N -3.92 1.58 -0.87 5.44 2.20 -1.26 -5.09 119.74 117.82 2kgo s LYS 103 Ca 0.34 -1.25 -0.22 0.00 -0.36 0.00 0.00 55.97 54.48 2kgo s LYS 103 Cb -0.08 0.48 0.08 0.00 -1.51 0.00 0.00 37.83 36.79 2kgo s LYS 103 CO 0.27 -0.66 1.22 -0.51 -0.36 0.00 0.00 175.35 175.31 2kgo s ASP 104 N -3.02 6.42 -0.61 1.43 1.11 -1.26 -4.89 116.67 115.85 2kgo s ASP 104 Ca 0.22 -1.38 0.06 0.00 0.18 0.00 0.00 52.55 51.63 2kgo s ASP 104 Cb -0.01 -2.48 0.22 0.00 1.07 0.00 0.00 42.92 41.72 2kgo s ASP 104 CO 0.09 -1.41 0.62 -1.54 1.18 0.00 0.00 175.17 174.11 2kgo n SER 105 N 8.00 2.76 -1.68 0.27 3.41 -1.26 -5.07 113.62 120.06 2kgo n SER 105 Ca 0.18 -3.20 -0.04 0.00 -0.26 0.00 0.00 58.87 55.54 2kgo n SER 105 Cb 0.49 -0.68 -0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2kgo n SER 105 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kgo n GLN 106 N 1.37 0.32 -2.93 4.33 10.64 -1.26 -5.12 117.38 124.74 2kgo n GLN 106 Ca 0.26 -0.90 -0.15 0.00 -1.83 0.00 0.00 57.00 54.38 2kgo n GLN 106 Cb 0.42 0.97 -0.00 0.00 -0.86 0.00 0.00 30.24 30.76 2kgo n GLN 106 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 2kgo n LEU 107 N 0.00 1.40 0.00 2.61 -0.00 -1.26 -5.30 117.00 114.45 2kgo n LEU 107 Ca -0.01 -4.51 0.00 0.00 -0.00 0.00 0.00 56.01 51.49 2kgo n LEU 107 Cb 0.21 0.49 0.00 0.00 -0.00 0.00 0.00 43.42 44.12 2kgo n LEU 107 CO 0.10 1.99 0.15 -2.11 -0.00 0.00 0.00 177.39 177.52