#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 1.98 -0.12 3.04 0.00 -1.26 -4.90 121.76 120.50 2kgo s ALA 22 Ca 0.00 -1.76 -0.08 0.00 0.00 0.00 0.00 51.96 50.12 2kgo s ALA 22 Cb 0.00 -4.56 0.05 0.00 0.00 0.00 0.00 23.12 18.61 2kgo s ALA 22 CO 0.00 -4.48 0.30 -1.54 0.00 0.00 0.00 175.76 170.04 2kgo s SER 23 N 7.07 -0.34 0.00 0.00 1.04 -1.26 -4.82 113.70 115.39 2kgo s SER 23 Ca 0.63 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2kgo s SER 23 Cb -0.04 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2kgo s SER 23 CO -0.03 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2kgo n GLY 24 N 3.92 2.21 0.33 7.32 0.00 -1.26 -4.84 105.19 112.87 2kgo n GLY 24 Ca -0.22 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.28 2kgo n GLY 24 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2kgo h TRP 25 N 0.00 1.05 0.00 1.61 5.08 -1.95 -3.38 115.95 118.36 2kgo h TRP 25 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 2kgo h TRP 25 Cb 0.00 -0.35 0.00 0.00 -3.00 0.00 0.00 29.16 25.81 2kgo h TRP 25 CO 0.00 0.62 0.00 0.00 -1.28 0.00 0.00 178.44 177.78 2kgo n ALA 26 N -2.34 1.33 -2.30 0.11 0.00 -1.26 -5.04 120.51 111.01 2kgo n ALA 26 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 2kgo n ALA 26 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2kgo n ALA 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kgo n ASN 27 N 0.00 4.83 -4.02 0.00 2.85 -1.26 -4.70 115.26 112.97 2kgo n ASN 27 Ca 0.00 -3.03 -0.08 0.00 -0.11 0.00 0.00 54.58 51.36 2kgo n ASN 27 Cb 0.41 -1.54 -0.10 0.00 1.24 0.00 0.00 39.78 39.79 2kgo n ASN 27 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2kgo s ASP 28 N 1.80 0.34 0.38 1.20 1.01 -1.26 -4.54 116.67 115.59 2kgo s ASP 28 Ca 0.42 -0.74 0.18 0.00 0.71 0.00 0.00 52.55 53.12 2kgo s ASP 28 Cb 0.09 0.18 0.72 0.00 1.01 0.00 0.00 42.92 44.91 2kgo s ASP 28 CO -0.01 -0.49 1.76 0.44 0.21 0.00 0.00 175.17 177.08 2kgo h ASP 29 N 3.73 0.00 0.51 0.27 5.19 -1.97 -1.44 116.42 122.71 2kgo h ASP 29 Ca -0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 2kgo h ASP 29 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 2kgo h ASP 29 CO 0.55 0.38 0.00 0.00 -3.12 0.00 0.00 179.24 177.05 2kgo h ALA 30 N 1.62 1.00 0.00 3.45 0.00 -1.95 -1.29 119.26 122.09 2kgo h ALA 30 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2kgo h ALA 30 Cb 0.84 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 2kgo h ALA 30 CO 0.05 0.00 -2.01 0.28 0.00 0.00 0.00 179.25 177.57 2kgo n VAL 31 N -2.89 1.01 0.20 0.00 0.31 -1.15 -4.58 118.33 111.23 2kgo n VAL 31 Ca -0.01 -0.43 0.04 0.00 -0.01 0.00 0.00 64.34 63.93 2kgo n VAL 31 Cb 0.18 -1.04 0.42 0.00 -0.91 0.00 0.00 33.84 32.48 2kgo n VAL 31 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2kgo h ASN 32 N 0.00 0.00 -0.30 4.52 -1.24 -1.15 -2.43 115.58 114.99 2kgo h ASN 32 Ca -0.40 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.60 2kgo h ASN 32 Cb 1.66 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.70 2kgo h ASN 32 CO -0.05 0.32 0.15 1.05 -1.29 0.00 0.00 177.43 177.61 2kgo h GLU 33 N 0.00 0.46 -0.13 6.67 4.11 -1.48 0.91 114.58 125.11 2kgo h GLU 33 Ca -0.00 -0.05 -0.19 0.00 0.07 0.00 0.00 59.36 59.19 2kgo h GLU 33 Cb 0.58 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2kgo h GLU 33 CO 0.04 0.37 -0.71 0.37 0.07 0.00 0.00 179.01 179.15 2kgo h GLN 34 N 0.47 0.58 0.00 1.06 5.75 -1.70 -2.97 115.11 118.30 2kgo h GLN 34 Ca 0.12 -0.45 -0.10 0.00 -0.15 0.00 0.00 58.65 58.07 2kgo h GLN 34 Cb 0.06 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 2kgo h GLN 34 CO -0.02 1.07 -0.47 0.82 -2.65 0.00 0.00 178.83 177.59 2kgo h ILE 35 N 0.41 1.20 -4.13 2.39 2.04 -1.34 -3.45 117.51 114.62 2kgo h ILE 35 Ca -0.03 -1.68 -0.50 0.00 1.00 0.00 0.00 64.86 63.66 2kgo h ILE 35 Cb 1.29 1.94 0.07 0.00 -0.74 0.00 0.00 36.82 39.39 2kgo h ILE 35 CO 0.13 0.46 0.40 0.21 0.00 0.00 0.00 178.15 179.35 2kgo s ASN 36 N -6.72 5.62 0.00 1.72 3.84 0.26 -4.94 114.94 114.72 2kgo s ASN 36 Ca -0.01 2.05 0.00 0.00 0.21 0.00 0.00 52.86 55.11 2kgo s ASN 36 Cb 0.13 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.26 2kgo s ASN 36 CO 0.72 -1.28 0.54 -1.20 -2.79 0.00 0.00 177.10 173.09 2kgo n SER 37 N -1.68 0.75 0.00 -4.21 7.64 -1.26 -3.88 113.62 110.98 2kgo n SER 37 Ca 0.11 -1.82 -0.18 0.00 1.01 0.00 0.00 58.87 57.99 2kgo n SER 37 Cb 0.52 -0.37 -0.11 0.00 -1.01 0.00 0.00 64.21 63.24 2kgo n SER 37 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2kgo h THR 38 N 0.00 1.39 -0.46 0.44 2.02 -1.92 -2.92 112.91 111.47 2kgo h THR 38 Ca 0.00 -2.07 -0.06 0.00 0.77 0.00 0.00 66.41 65.06 2kgo h THR 38 Cb 0.37 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 69.27 2kgo h THR 38 CO 0.00 0.61 0.07 0.40 0.37 0.00 0.00 175.52 176.97 2kgo h ILE 39 N 0.01 1.25 -0.22 3.11 1.08 -1.77 -0.13 117.51 120.84 2kgo h ILE 39 Ca -0.08 -0.92 -0.13 0.00 -0.39 0.00 0.00 64.86 63.35 2kgo h ILE 39 Cb 1.35 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 36.05 2kgo h ILE 39 CO 0.13 0.32 -0.41 1.05 -0.69 0.00 0.00 178.15 178.55 2kgo h GLU 40 N 0.62 0.52 0.00 2.37 4.11 -1.83 -2.88 114.58 117.50 2kgo h GLU 40 Ca 0.14 -0.27 -0.11 0.00 0.07 0.00 0.00 59.36 59.19 2kgo h GLU 40 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2kgo h GLU 40 CO 0.01 0.84 -0.52 0.22 0.07 0.00 0.00 179.01 179.63 2kgo h ASP 41 N 0.43 0.00 -0.02 3.06 3.58 -1.27 0.32 116.42 122.52 2kgo h ASP 41 Ca 0.04 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.36 2kgo h ASP 41 Cb 0.90 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 2kgo h ASP 41 CO 0.08 0.52 -0.39 0.00 -2.88 0.00 0.00 179.24 176.57 2kgo h ALA 42 N 1.48 0.89 0.00 -0.78 0.00 -0.82 -1.58 119.26 118.45 2kgo h ALA 42 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kgo h ALA 42 Cb 1.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2kgo h ALA 42 CO 0.07 0.64 -0.60 0.82 0.00 0.00 0.00 179.25 180.18 2kgo h ILE 43 N 0.44 0.00 -0.31 0.00 1.08 -1.38 -2.94 117.51 114.40 2kgo h ILE 43 Ca 0.04 -0.79 -0.17 0.00 -0.39 0.00 0.00 64.86 63.55 2kgo h ILE 43 Cb 0.88 1.46 -0.00 0.00 -3.07 0.00 0.00 36.82 36.09 2kgo h ILE 43 CO 0.08 0.00 -0.47 0.00 -0.69 0.00 0.00 178.15 177.07 2kgo h ALA 44 N 2.21 0.59 0.00 1.87 0.00 -0.62 -1.58 119.26 121.72 2kgo h ALA 44 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2kgo h ALA 44 Cb 0.90 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2kgo h ALA 44 CO 0.00 0.68 -0.27 0.07 0.00 0.00 0.00 179.25 179.73 2kgo h ARG 45 N 0.65 0.00 0.01 0.00 0.11 -1.40 -2.41 114.38 111.35 2kgo h ARG 45 Ca 0.04 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.11 2kgo h ARG 45 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.13 2kgo h ARG 45 CO 0.10 0.15 -0.01 0.00 0.10 0.00 0.00 179.97 180.32 2kgo h ALA 46 N 1.84 -0.41 0.00 0.08 0.00 -1.37 -3.43 119.26 115.96 2kgo h ALA 46 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kgo h ALA 46 Cb 1.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2kgo h ALA 46 CO 0.02 -0.41 0.00 2.89 0.00 0.00 0.00 179.25 181.75 2kgo n ARG 47 N -2.10 4.65 -1.63 0.00 -4.01 -0.64 -5.03 116.66 107.90 2kgo n ARG 47 Ca -0.00 -0.08 0.00 0.00 -1.04 0.00 0.00 57.85 56.73 2kgo n ARG 47 Cb 0.01 -0.52 0.00 0.00 -3.04 0.00 0.00 32.46 28.91 2kgo n ARG 47 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2kgo n GLY 48 N 0.69 0.73 0.39 2.89 0.00 -0.91 -5.02 105.19 103.96 2kgo n GLY 48 Ca 0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 -0.91 -6.38 1.61 4.57 -1.70 -3.45 114.58 108.31 2kgo h GLU 49 Ca 0.00 0.06 -0.61 0.00 -1.18 0.00 0.00 59.36 57.63 2kgo h GLU 49 Cb 0.72 0.21 -0.13 0.00 -0.16 0.00 0.00 28.75 29.38 2kgo h GLU 49 CO 0.00 -0.61 -0.71 0.42 -1.18 0.00 0.00 179.01 176.93 2kgo s ILE 50 N -5.15 3.16 1.43 2.32 -1.09 -1.26 -5.00 121.20 115.61 2kgo s ILE 50 Ca -0.14 -1.78 -0.23 0.00 -2.23 0.00 0.00 60.65 56.27 2kgo s ILE 50 Cb 0.02 -2.60 0.37 0.00 -1.58 0.00 0.00 42.46 38.67 2kgo s ILE 50 CO 0.43 -0.19 0.93 -2.16 -1.23 0.00 0.00 174.94 172.73 2kgo s PRO 51 N -3.05 -2.99 -0.02 2.79 0.04 -1.26 -4.52 135.00 125.99 2kgo s PRO 51 Ca 0.26 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.40 2kgo s PRO 51 Cb -0.08 -1.37 0.02 0.00 0.04 0.00 0.00 34.50 33.10 2kgo s PRO 51 CO 0.16 -4.91 1.60 0.54 0.04 0.00 0.00 177.00 174.43 2kgo n ARG 52 N -5.65 1.04 -1.20 4.56 1.74 -1.26 -4.59 116.66 111.31 2kgo n ARG 52 Ca 0.13 -0.09 -0.07 0.00 -0.77 0.00 0.00 57.85 57.05 2kgo n ARG 52 Cb 0.60 -1.04 -0.03 0.00 -1.02 0.00 0.00 32.46 30.98 2kgo n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kgo n GLY 53 N 1.03 0.83 3.62 -0.13 0.00 -1.26 -5.02 105.19 104.26 2kgo n GLY 53 Ca 0.02 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 2kgo n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kgo s GLU 54 N -2.20 2.09 -0.34 1.61 0.41 -1.26 -4.44 118.70 114.57 2kgo s GLU 54 Ca 0.00 -1.68 -0.29 0.00 -0.41 0.00 0.00 54.97 52.60 2kgo s GLU 54 Cb 0.00 -1.97 -0.01 0.00 -1.78 0.00 0.00 34.13 30.37 2kgo s GLU 54 CO 0.00 0.20 1.65 -1.12 -0.49 0.00 0.00 175.26 175.50 2kgo s SER 55 N -3.69 6.11 1.11 -0.19 0.01 -1.26 -4.18 113.70 111.61 2kgo s SER 55 Ca 0.34 1.21 -0.19 0.00 1.31 0.00 0.00 55.95 58.62 2kgo s SER 55 Cb -0.02 -2.53 0.26 0.00 0.21 0.00 0.00 66.02 63.94 2kgo s SER 55 CO 0.19 -1.55 1.24 -1.48 0.41 0.00 0.00 173.24 172.05 2kgo s LEU 56 N 6.17 1.70 0.00 2.44 0.05 -1.13 -4.91 118.68 123.00 2kgo s LEU 56 Ca 0.73 0.32 0.15 0.00 0.05 0.00 0.00 54.13 55.38 2kgo s LEU 56 Cb -0.20 -2.12 -0.13 0.00 -2.05 0.00 0.00 46.19 41.69 2kgo s LEU 56 CO 0.33 -3.58 0.69 -0.67 -0.55 0.00 0.00 176.35 172.56 2kgo n ASP 57 N -4.35 0.92 -3.65 1.48 2.03 -1.26 -4.76 116.55 106.96 2kgo n ASP 57 Ca 0.16 -0.96 -0.27 0.00 0.52 0.00 0.00 54.79 54.23 2kgo n ASP 57 Cb 0.59 0.88 -0.16 0.00 -0.72 0.00 0.00 41.12 41.71 2kgo n ASP 57 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2kgo s GLU 58 N -2.30 0.34 -0.05 -0.67 2.02 -1.26 -1.85 118.70 114.93 2kgo s GLU 58 Ca 0.07 -0.37 -0.38 0.00 0.02 0.00 0.00 54.97 54.32 2kgo s GLU 58 Cb 0.12 -1.82 -0.17 0.00 0.10 0.00 0.00 34.13 32.36 2kgo s GLU 58 CO 0.57 -0.75 1.44 0.00 0.02 0.00 0.00 175.26 176.54 2kgo n GLU 60 N 3.29 0.20 -0.04 0.00 0.28 -0.40 -0.48 120.64 123.49 2kgo n GLU 60 Ca 0.21 0.11 -0.19 0.00 -0.16 0.00 0.00 57.16 57.12 2kgo n GLU 60 Cb 0.15 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.39 2kgo n GLU 60 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2kgo n GLU 61 N -1.36 0.72 -0.25 3.44 -0.58 -1.26 -4.77 120.64 116.58 2kgo n GLU 61 Ca 0.08 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 2kgo n GLU 61 Cb 0.19 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 2kgo n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kgo n GLY 63 N 0.00 1.04 3.80 0.00 0.00 0.37 -4.96 105.19 105.43 2kgo n GLY 63 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.87 2.89 -0.02 4.61 0.00 -1.26 -4.39 121.76 121.71 2kgo s ALA 64 Ca 0.00 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.25 2kgo s ALA 64 Cb 0.00 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 2kgo s ALA 64 CO 0.00 -0.27 2.01 -0.35 0.00 0.00 0.00 175.76 177.15 2kgo n PRO 65 N -0.90 2.62 -2.22 0.00 -0.04 -1.26 -1.71 135.00 131.50 2kgo n PRO 65 Ca 0.09 0.93 -0.43 0.00 -0.04 0.00 0.00 63.50 64.05 2kgo n PRO 65 Cb 0.52 -3.00 -0.02 0.00 -0.04 0.00 0.00 33.50 30.97 2kgo n PRO 65 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kgo s ILE 66 N 5.08 3.88 0.52 0.52 -1.09 -0.77 -4.67 121.20 124.68 2kgo s ILE 66 Ca 0.92 1.03 -0.18 0.00 -2.23 0.00 0.00 60.65 60.18 2kgo s ILE 66 Cb -0.46 -3.80 -0.07 0.00 -1.58 0.00 0.00 42.46 36.55 2kgo s ILE 66 CO 0.42 -0.24 1.03 -2.16 -1.23 0.00 0.00 174.94 172.76 2kgo s PRO 67 N 4.20 3.70 0.59 2.79 0.04 -1.26 -4.88 135.00 140.18 2kgo s PRO 67 Ca 0.65 1.22 0.34 0.00 0.04 0.00 0.00 61.00 63.25 2kgo s PRO 67 Cb -0.24 -2.09 1.85 0.00 0.04 0.00 0.00 34.50 34.06 2kgo s PRO 67 CO 0.25 -0.49 2.21 -0.56 0.04 0.00 0.00 177.00 178.44 2kgo h GLN 68 N 1.12 0.00 -0.48 4.56 -0.00 -1.97 -2.21 115.11 116.13 2kgo h GLN 68 Ca -0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.14 2kgo h GLN 68 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.67 2kgo h GLN 68 CO 0.59 0.04 0.20 0.00 -0.00 0.00 0.00 178.83 179.66 2kgo h ALA 69 N 1.96 0.62 -0.08 0.06 0.00 -1.99 -0.21 119.26 119.62 2kgo h ALA 69 Ca -0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2kgo h ALA 69 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kgo h ALA 69 CO 0.00 0.21 -0.38 0.00 0.00 0.00 0.00 179.25 179.09 2kgo h ARG 70 N 0.63 0.16 -0.28 0.00 2.47 -1.79 -1.97 114.38 113.59 2kgo h ARG 70 Ca 0.16 -0.07 -0.19 0.00 -1.26 0.00 0.00 59.98 58.63 2kgo h ARG 70 Cb 0.18 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 2kgo h ARG 70 CO -0.01 0.52 -0.55 0.00 0.56 0.00 0.00 179.97 180.48 2kgo h ARG 71 N 0.13 0.87 0.01 0.04 3.08 -1.31 -1.25 114.38 115.94 2kgo h ARG 71 Ca 0.01 -0.55 -0.24 0.00 0.07 0.00 0.00 59.98 59.27 2kgo h ARG 71 Cb 0.74 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 2kgo h ARG 71 CO 0.06 1.19 -1.23 1.05 -1.07 0.00 0.00 179.97 179.96 2kgo h GLU 72 N 0.66 0.02 -0.16 0.04 -0.00 -0.99 -3.25 114.58 110.90 2kgo h GLU 72 Ca 0.01 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.36 59.29 2kgo h GLU 72 Cb 1.16 0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 29.92 2kgo h GLU 72 CO 0.12 0.86 -0.11 0.00 -0.00 0.00 0.00 179.01 179.88 2kgo h ALA 73 N 0.97 0.23 -3.49 1.06 0.00 -1.43 -3.43 119.26 113.17 2kgo h ALA 73 Ca -0.10 -0.30 -0.61 0.00 0.00 0.00 0.00 54.91 53.90 2kgo h ALA 73 Cb 1.85 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 19.20 2kgo h ALA 73 CO 0.12 0.08 -0.76 0.42 0.00 0.00 0.00 179.25 179.10 2kgo s ILE 74 N -4.44 1.44 -0.12 0.00 1.01 -0.47 -5.10 121.20 113.51 2kgo s ILE 74 Ca -0.14 -1.45 -0.29 0.00 0.00 0.00 0.00 60.65 58.77 2kgo s ILE 74 Cb 0.06 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2kgo s ILE 74 CO 0.75 -0.36 1.73 -2.16 0.00 0.00 0.00 174.94 174.90 2kgo s PRO 75 N 1.39 3.94 0.00 2.79 0.04 -1.24 -2.50 135.00 139.42 2kgo s PRO 75 Ca 0.02 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2kgo s PRO 75 Cb -0.18 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.29 2kgo s PRO 75 CO -0.12 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.19 2kgo n GLY 76 N 4.52 0.95 3.77 0.56 0.00 -1.26 -4.86 105.19 108.87 2kgo n GLY 76 Ca 0.19 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.17 2.73 0.00 1.61 0.11 -1.04 -4.80 120.40 116.84 2kgo s VAL 77 Ca 0.00 0.63 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 2kgo s VAL 77 Cb 0.00 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 2kgo s VAL 77 CO 0.00 0.07 0.53 -2.11 -3.33 0.00 0.00 175.10 170.26 2kgo n ARG 78 N -0.03 0.62 -4.69 1.54 -4.01 -1.26 -2.83 116.66 106.00 2kgo n ARG 78 Ca 0.05 -0.64 -0.29 0.00 -1.04 0.00 0.00 57.85 55.92 2kgo n ARG 78 Cb 0.45 -0.65 -0.17 0.00 -3.04 0.00 0.00 32.46 29.05 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 -0.23 1.84 0.78 2.89 1.43 -1.26 -1.27 118.68 122.86 2kgo s LEU 79 Ca 0.00 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 2kgo s LEU 79 Cb 0.00 -1.16 0.07 0.00 0.03 0.00 0.00 46.19 45.13 2kgo s LEU 79 CO 0.00 0.06 1.13 0.00 0.23 0.00 0.00 176.35 177.77 2kgo h ILE 81 N -0.98 0.36 0.01 0.00 2.10 -1.95 0.39 117.51 117.44 2kgo h ILE 81 Ca -0.45 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.49 2kgo h ILE 81 Cb 1.25 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.57 2kgo h ILE 81 CO 0.49 0.00 -0.01 0.45 -1.08 0.00 0.00 178.15 178.00 2kgo h HIS 82 N 0.00 -0.01 0.00 2.19 -0.00 -1.97 -1.10 115.15 114.26 2kgo h HIS 82 Ca 0.24 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 2kgo h HIS 82 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.70 2kgo h HIS 82 CO 0.00 0.74 0.00 0.00 -0.00 0.00 0.00 177.93 178.67 2kgo h GLN 84 N 0.00 0.11 -0.68 0.00 -0.00 -0.38 -3.37 115.11 110.80 2kgo h GLN 84 Ca 0.00 -0.19 0.06 0.00 -0.00 0.00 0.00 58.65 58.52 2kgo h GLN 84 Cb 0.75 0.07 -0.04 0.00 0.00 0.00 0.00 27.48 28.26 2kgo h GLN 84 CO 0.00 1.09 0.45 -0.56 0.00 0.00 0.00 178.83 179.81 2kgo h GLN 85 N -0.70 0.67 -0.37 1.69 3.07 -1.29 0.39 115.11 118.57 2kgo h GLN 85 Ca -0.22 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.48 2kgo h GLN 85 Cb 1.41 -0.15 -0.02 0.00 0.08 0.00 0.00 27.48 28.80 2kgo h GLN 85 CO -0.03 0.44 0.25 1.05 0.09 0.00 0.00 178.83 180.63 2kgo h GLU 86 N 0.69 0.49 0.00 0.06 4.11 -1.76 -2.97 114.58 115.20 2kgo h GLU 86 Ca 0.29 -0.03 -0.10 0.00 0.07 0.00 0.00 59.36 59.59 2kgo h GLU 86 Cb 0.26 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2kgo h GLU 86 CO -0.09 0.33 -0.48 0.87 0.07 0.00 0.00 179.01 179.72 2kgo h LYS 87 N 0.50 0.00 -0.02 1.06 1.79 -1.03 -3.26 116.57 115.62 2kgo h LYS 87 Ca 0.14 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.53 2kgo h LYS 87 Cb -0.05 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 2kgo h LYS 87 CO -0.03 0.48 -0.36 0.22 -1.08 0.00 0.00 179.45 178.68 2kgo h ASP 88 N 0.00 0.04 0.41 0.86 3.58 -0.19 -0.35 116.42 120.77 2kgo h ASP 88 Ca -0.00 -0.01 -0.18 0.00 0.42 0.00 0.00 57.03 57.25 2kgo h ASP 88 Cb 1.21 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2kgo h ASP 88 CO 0.06 0.40 -0.76 -0.07 -2.88 0.00 0.00 179.24 175.99 2kgo h LEU 89 N 0.04 0.34 0.13 2.28 3.38 -1.57 -3.36 115.31 116.55 2kgo h LEU 89 Ca 0.00 -0.24 -0.22 0.00 0.09 0.00 0.00 57.88 57.52 2kgo h LEU 89 Cb 0.66 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.32 2kgo h LEU 89 CO 0.05 0.98 -1.02 1.56 0.09 0.00 0.00 178.44 180.10 2kgo h GLN 90 N 0.18 0.28 -6.80 1.13 1.08 -1.48 -3.46 115.11 106.05 2kgo h GLN 90 Ca -0.03 -0.48 -0.52 0.00 -1.45 0.00 0.00 58.65 56.17 2kgo h GLN 90 Cb 1.34 0.18 0.05 0.00 -0.05 0.00 0.00 27.48 28.99 2kgo h GLN 90 CO 0.12 1.23 0.62 -1.59 -0.95 0.00 0.00 178.83 178.26 2kgo s LYS 91 N -2.44 4.41 0.40 1.46 0.00 -0.21 -4.95 119.74 118.41 2kgo s LYS 91 Ca -0.16 2.11 0.21 0.00 0.00 0.00 0.00 55.97 58.13 2kgo s LYS 91 Cb 0.02 -3.13 0.74 0.00 0.00 0.00 0.00 37.83 35.46 2kgo s LYS 91 CO 0.81 -0.15 1.75 -1.00 0.00 0.00 0.00 175.35 176.76 2kgo h PRO 92 N 4.13 0.00 -0.05 1.78 0.13 -1.88 -3.47 132.00 132.63 2kgo h PRO 92 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2kgo h PRO 92 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2kgo h PRO 92 CO 0.70 0.30 -0.02 0.00 -0.23 0.00 0.00 178.00 178.75 2kgo n ALA 93 N -2.25 -0.02 -2.36 -0.56 0.00 -1.26 -4.99 120.51 109.07 2kgo n ALA 93 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 2kgo n ALA 93 Cb 0.49 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.65 1.29 -0.30 0.00 -0.85 -1.26 -5.14 117.35 109.44 2kgo s TYR 94 Ca 0.00 -1.42 0.02 0.00 -0.52 0.00 0.00 57.07 55.15 2kgo s TYR 94 Cb 0.00 -0.51 0.07 0.00 0.38 0.00 0.00 41.96 41.90 2kgo s TYR 94 CO 0.00 -0.79 -0.02 0.95 -1.52 0.00 0.00 175.55 174.17 2kgo s THR 95 N -3.81 2.39 -2.03 -3.49 -4.23 -1.26 -4.95 115.64 98.26 2kgo s THR 95 Ca 0.38 -1.86 0.13 0.00 -1.18 0.00 0.00 61.69 59.15 2kgo s THR 95 Cb 0.04 -2.53 0.35 0.00 1.34 0.00 0.00 72.50 71.69 2kgo s THR 95 CO 0.18 -0.27 1.45 0.61 -0.54 0.00 0.00 174.62 176.05 2kgo n GLY 96 N 4.41 -0.77 2.97 3.99 0.00 -1.26 -4.81 105.19 109.72 2kgo n GLY 96 Ca -0.07 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 2kgo n GLY 96 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2kgo s TYR 97 N -1.95 -0.08 0.32 1.61 1.13 -1.26 -5.07 117.35 112.05 2kgo s TYR 97 Ca 0.20 0.19 0.05 0.00 -1.41 0.00 0.00 57.07 56.10 2kgo s TYR 97 Cb 0.09 0.02 0.55 0.00 -1.10 0.00 0.00 41.96 41.52 2kgo s TYR 97 CO 0.15 -0.06 1.80 -0.97 -2.51 0.00 0.00 175.55 173.96 2kgo h ASN 98 N 5.89 0.38 -1.07 -0.18 -1.24 -2.04 -3.39 115.58 113.93 2kgo h ASN 98 Ca -0.25 -0.11 -0.37 0.00 0.71 0.00 0.00 56.30 56.28 2kgo h ASN 98 Cb 1.20 -0.10 -0.05 0.00 0.73 0.00 0.00 38.32 40.10 2kgo h ASN 98 CO 0.45 0.59 0.93 0.00 -1.29 0.00 0.00 177.43 178.12 2kgo s ARG 99 N -4.58 2.66 0.42 6.67 1.70 -1.26 -4.84 118.95 119.72 2kgo s ARG 99 Ca -0.06 -0.14 0.12 0.00 -0.47 0.00 0.00 55.73 55.17 2kgo s ARG 99 Cb 0.14 -4.91 0.91 0.00 -0.57 0.00 0.00 34.95 30.52 2kgo s ARG 99 CO 0.77 -3.12 1.97 0.07 -1.08 0.00 0.00 175.30 173.90 2kgo h ARG 100 N 12.00 0.15 0.00 3.89 0.11 -2.02 -3.38 114.38 125.13 2kgo h ARG 100 Ca 0.01 -0.03 -0.12 0.00 0.10 0.00 0.00 59.98 59.94 2kgo h ARG 100 Cb 1.04 -0.02 -0.11 0.00 1.11 0.00 0.00 29.97 31.99 2kgo h ARG 100 CO 1.23 0.27 0.02 0.41 0.10 0.00 0.00 179.97 182.00 2kgo n GLY 101 N -1.01 -0.07 2.95 0.08 0.00 -1.26 -5.10 105.19 100.79 2kgo n GLY 101 Ca -0.01 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 2kgo n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kgo s SER 102 N -0.50 4.51 -0.05 1.61 1.04 -1.26 -5.08 113.70 113.97 2kgo s SER 102 Ca 0.09 -1.93 -0.01 0.00 0.48 0.00 0.00 55.95 54.58 2kgo s SER 102 Cb 0.17 -1.41 0.03 0.00 0.10 0.00 0.00 66.02 64.90 2kgo s SER 102 CO -0.04 -0.37 0.02 -1.59 0.98 0.00 0.00 173.24 172.24 2kgo s LYS 103 N 1.11 0.36 -0.62 4.02 -2.85 -1.26 -5.01 119.74 115.50 2kgo s LYS 103 Ca 0.08 0.17 -0.27 0.00 -1.00 0.00 0.00 55.97 54.95 2kgo s LYS 103 Cb -0.19 -0.73 -0.01 0.00 -2.06 0.00 0.00 37.83 34.84 2kgo s LYS 103 CO -0.12 -0.27 1.67 0.34 0.10 0.00 0.00 175.35 177.08 2kgo s ASP 104 N 1.79 5.60 0.08 0.03 2.15 -1.26 -4.91 116.67 120.15 2kgo s ASP 104 Ca 0.01 0.21 -0.26 0.00 0.43 0.00 0.00 52.55 52.94 2kgo s ASP 104 Cb -0.13 -2.54 0.08 0.00 -0.30 0.00 0.00 42.92 40.04 2kgo s ASP 104 CO -0.04 -2.14 0.84 -0.55 -0.17 0.00 0.00 175.17 173.11 2kgo s SER 105 N 6.58 -0.36 -0.05 -0.34 0.15 -1.26 -5.19 113.70 113.23 2kgo s SER 105 Ca 0.59 -0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.97 2kgo s SER 105 Cb -0.12 0.47 0.03 0.00 -1.71 0.00 0.00 66.02 64.69 2kgo s SER 105 CO 0.21 -0.80 0.32 -1.58 1.20 0.00 0.00 173.24 172.58 2kgo s GLN 106 N -3.33 0.59 0.54 5.44 0.74 -1.26 -5.05 119.66 117.32 2kgo s GLN 106 Ca 0.06 -0.00 0.25 0.00 0.05 0.00 0.00 55.36 55.72 2kgo s GLN 106 Cb -0.01 0.26 1.52 0.00 1.10 0.00 0.00 33.01 35.88 2kgo s GLN 106 CO -0.06 -0.14 2.15 1.37 -0.55 0.00 0.00 175.29 178.05 2kgo h LEU 107 N 4.38 0.00 0.00 3.68 -0.00 -2.03 -3.57 115.31 117.77 2kgo h LEU 107 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2kgo h LEU 107 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 2kgo h LEU 107 CO 0.37 0.06 0.00 0.54 -0.00 0.00 0.00 178.44 179.41