#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 2.24 -0.29 -5.12 0.00 -1.26 -4.87 121.76 112.46 2kgo s ALA 22 Ca 0.00 -1.94 -0.08 0.00 0.00 0.00 0.00 51.96 49.94 2kgo s ALA 22 Cb 0.00 -4.55 0.14 0.00 0.00 0.00 0.00 23.12 18.71 2kgo s ALA 22 CO 0.00 -4.19 0.61 -1.54 0.00 0.00 0.00 175.76 170.64 2kgo s SER 23 N 6.36 -1.10 -1.32 0.00 1.04 -1.26 -4.96 113.70 112.47 2kgo s SER 23 Ca 0.58 1.34 0.00 0.00 0.48 0.00 0.00 55.95 58.35 2kgo s SER 23 Cb -0.03 2.17 0.00 0.00 0.10 0.00 0.00 66.02 68.26 2kgo s SER 23 CO -0.05 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.55 2kgo n GLY 24 N 5.44 0.48 0.10 7.32 0.00 -1.24 -4.89 105.19 112.40 2kgo n GLY 24 Ca -0.09 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.43 0.54 -1.43 1.61 4.27 -1.26 -4.65 117.44 113.09 2kgo n TRP 25 Ca -0.16 0.17 0.00 0.00 -3.89 0.00 0.00 57.50 53.62 2kgo n TRP 25 Cb 0.56 -1.09 0.00 0.00 -1.36 0.00 0.00 31.31 29.42 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 -2.78 0.44 -2.75 -1.67 0.00 -1.26 -5.13 120.51 107.36 2kgo n ALA 26 Ca -0.29 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 52.94 2kgo n ALA 26 Cb 1.08 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.42 2kgo n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kgo s ASN 27 N 0.00 0.37 0.05 0.00 4.22 -1.26 -5.00 114.94 113.32 2kgo s ASN 27 Ca 0.00 -0.63 -0.15 0.00 -2.14 0.00 0.00 52.86 49.94 2kgo s ASN 27 Cb 0.00 0.12 0.05 0.00 1.28 0.00 0.00 41.25 42.70 2kgo s ASN 27 CO 0.00 -0.36 0.71 -0.67 -2.04 0.00 0.00 177.10 174.74 2kgo n ASP 28 N 1.22 -0.92 -0.00 3.54 2.03 -1.26 -3.59 116.55 117.57 2kgo n ASP 28 Ca -0.21 -1.37 -0.14 0.00 0.52 0.00 0.00 54.79 53.58 2kgo n ASP 28 Cb 0.56 1.47 -0.03 0.00 -0.72 0.00 0.00 41.12 42.41 2kgo n ASP 28 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2kgo h ASP 29 N 1.23 0.78 0.58 1.67 1.82 -2.01 -0.76 116.42 119.74 2kgo h ASP 29 Ca -0.15 -0.50 0.00 0.00 -0.39 0.00 0.00 57.03 55.99 2kgo h ASP 29 Cb 0.74 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.52 2kgo h ASP 29 CO 0.21 1.27 0.00 0.00 -1.61 0.00 0.00 179.24 179.11 2kgo n ALA 30 N -2.57 1.61 -0.11 -0.78 0.00 -1.26 -2.32 120.51 115.08 2kgo n ALA 30 Ca -0.06 0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 2kgo n ALA 30 Cb 0.71 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.70 2kgo n ALA 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kgo n VAL 31 N -1.95 1.38 -0.23 0.00 0.31 -1.17 -4.48 118.33 112.19 2kgo n VAL 31 Ca 0.02 -0.75 -0.02 0.00 -0.01 0.00 0.00 64.34 63.58 2kgo n VAL 31 Cb 0.19 -0.76 0.17 0.00 -0.91 0.00 0.00 33.84 32.54 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 0.93 -0.78 4.52 -1.24 -0.77 -2.43 115.58 115.81 2kgo h ASN 32 Ca -0.54 -0.09 0.01 0.00 0.71 0.00 0.00 56.30 56.39 2kgo h ASN 32 Cb 2.11 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 40.89 2kgo h ASN 32 CO -0.01 0.77 0.52 1.05 -1.29 0.00 0.00 177.43 178.47 2kgo h GLU 33 N 1.03 1.02 -0.77 6.67 4.11 -1.69 0.44 114.58 125.39 2kgo h GLU 33 Ca 0.26 -0.06 -0.04 0.00 0.07 0.00 0.00 59.36 59.58 2kgo h GLU 33 Cb 0.07 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2kgo h GLU 33 CO -0.04 0.67 0.32 0.37 0.07 0.00 0.00 179.01 180.41 2kgo h GLN 34 N 1.05 1.14 0.00 1.06 4.15 -1.66 -2.53 115.11 118.32 2kgo h GLN 34 Ca 0.29 -0.19 -0.12 0.00 0.77 0.00 0.00 58.65 59.39 2kgo h GLN 34 Cb -0.11 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.37 2kgo h GLN 34 CO -0.06 0.91 -0.58 0.82 -1.93 0.00 0.00 178.83 177.99 2kgo h ILE 35 N 1.12 1.02 -3.41 2.39 2.04 -1.36 -3.46 117.51 115.84 2kgo h ILE 35 Ca 0.26 -2.35 -0.52 0.00 1.00 0.00 0.00 64.86 63.25 2kgo h ILE 35 Cb 0.18 2.44 0.01 0.00 -0.74 0.00 0.00 36.82 38.72 2kgo h ILE 35 CO -0.02 0.56 0.56 0.21 0.00 0.00 0.00 178.15 179.45 2kgo s ASN 36 N -6.50 7.09 0.35 1.72 2.47 0.10 -4.95 114.94 115.22 2kgo s ASN 36 Ca 0.03 2.18 0.26 0.00 0.42 0.00 0.00 52.86 55.75 2kgo s ASN 36 Cb 0.08 -2.60 0.84 0.00 -1.45 0.00 0.00 41.25 38.12 2kgo s ASN 36 CO 0.75 -0.39 1.76 0.77 -3.72 0.00 0.00 177.10 176.28 2kgo h SER 37 N 5.61 0.00 0.24 -4.21 4.64 -1.89 -3.27 113.55 114.66 2kgo h SER 37 Ca -0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 2kgo h SER 37 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2kgo h SER 37 CO 0.76 0.00 -0.05 0.74 -0.87 0.00 0.00 176.83 177.41 2kgo h THR 38 N 0.00 0.37 -0.44 2.95 2.02 -1.92 -1.56 112.91 114.34 2kgo h THR 38 Ca 0.00 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 2kgo h THR 38 Cb 0.68 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 2kgo h THR 38 CO 0.00 0.05 -0.06 0.40 0.37 0.00 0.00 175.52 176.28 2kgo h ILE 39 N 0.00 1.25 -0.27 3.11 1.08 -1.85 -2.08 117.51 118.74 2kgo h ILE 39 Ca -0.00 -1.06 -0.17 0.00 -0.39 0.00 0.00 64.86 63.23 2kgo h ILE 39 Cb 0.18 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 2kgo h ILE 39 CO 0.01 0.37 -0.51 1.05 -0.69 0.00 0.00 178.15 178.37 2kgo h GLU 40 N 0.69 0.82 -0.68 2.37 4.11 -1.53 -2.83 114.58 117.54 2kgo h GLU 40 Ca 0.13 -0.53 -0.08 0.00 0.07 0.00 0.00 59.36 58.95 2kgo h GLU 40 Cb 0.51 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2kgo h GLU 40 CO 0.03 1.16 0.11 -0.44 0.07 0.00 0.00 179.01 179.93 2kgo h ASP 41 N 0.59 1.08 0.47 3.06 3.32 -1.43 0.14 116.42 123.65 2kgo h ASP 41 Ca 0.01 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 2kgo h ASP 41 Cb 1.12 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2kgo h ASP 41 CO 0.11 1.07 -0.23 0.00 -1.72 0.00 0.00 179.24 178.47 2kgo h ALA 42 N 1.05 -0.64 0.00 3.45 0.00 -1.39 -2.80 119.26 118.93 2kgo h ALA 42 Ca 0.21 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2kgo h ALA 42 Cb 0.45 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2kgo h ALA 42 CO 0.01 -0.86 -0.54 0.82 0.00 0.00 0.00 179.25 178.69 2kgo h ILE 43 N -0.64 1.38 -0.19 0.00 1.08 -1.33 -1.64 117.51 116.16 2kgo h ILE 43 Ca -0.06 -1.84 -0.08 0.00 -0.39 0.00 0.00 64.86 62.48 2kgo h ILE 43 Cb 0.50 2.00 -0.00 0.00 -3.07 0.00 0.00 36.82 36.24 2kgo h ILE 43 CO 0.10 0.53 -0.20 0.00 -0.69 0.00 0.00 178.15 177.88 2kgo h ALA 44 N 1.46 0.29 0.00 1.87 0.00 -0.95 -1.91 119.26 120.02 2kgo h ALA 44 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kgo h ALA 44 Cb 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2kgo h ALA 44 CO 0.07 0.22 -0.15 0.07 0.00 0.00 0.00 179.25 179.46 2kgo h ARG 45 N 0.15 0.00 0.05 0.00 0.11 -1.50 -1.46 114.38 111.73 2kgo h ARG 45 Ca 0.03 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.11 2kgo h ARG 45 Cb 0.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 2kgo h ARG 45 CO 0.05 0.00 -0.02 0.00 0.10 0.00 0.00 179.97 180.10 2kgo h ALA 46 N 2.22 -0.06 0.00 0.08 0.00 -1.16 -3.43 119.26 116.90 2kgo h ALA 46 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2kgo h ALA 46 Cb 0.89 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kgo h ALA 46 CO 0.00 -0.19 -0.19 2.89 0.00 0.00 0.00 179.25 181.76 2kgo n ARG 47 N -4.80 4.42 -2.26 0.00 1.85 -0.73 -5.06 116.66 110.07 2kgo n ARG 47 Ca -0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.75 2kgo n ARG 47 Cb 0.31 -0.56 0.01 0.00 -1.05 0.00 0.00 32.46 31.18 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 0.50 0.47 0.12 2.89 0.00 -0.55 -5.01 105.19 103.61 2kgo n GLY 48 Ca 0.00 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 2kgo n GLY 48 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kgo n GLU 49 N -1.22 0.65 -1.69 1.61 2.13 -1.25 -4.97 120.64 115.90 2kgo n GLU 49 Ca -0.02 0.43 -0.44 0.00 0.66 0.00 0.00 57.16 57.78 2kgo n GLU 49 Cb 0.51 -1.72 -0.04 0.00 0.27 0.00 0.00 31.44 30.47 2kgo n GLU 49 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2kgo n ILE 50 N -4.00 0.01 -0.29 6.31 2.08 -1.26 -5.00 119.36 117.22 2kgo n ILE 50 Ca -0.33 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 62.98 2kgo n ILE 50 Cb 0.85 -1.73 0.00 0.00 -0.75 0.00 0.00 39.64 38.02 2kgo n ILE 50 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2kgo n PRO 51 N 3.70 -0.22 -0.06 0.38 -0.04 -1.26 -4.90 135.00 132.59 2kgo n PRO 51 Ca 0.17 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.65 2kgo n PRO 51 Cb 0.31 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 33.85 2kgo n PRO 51 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kgo n ARG 52 N -0.91 1.28 -2.69 0.54 1.74 -1.26 -4.84 116.66 110.52 2kgo n ARG 52 Ca 0.00 -0.44 -0.05 0.00 -0.77 0.00 0.00 57.85 56.59 2kgo n ARG 52 Cb 0.00 -1.11 0.02 0.00 -1.02 0.00 0.00 32.46 30.35 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 0.71 0.58 0.00 -0.13 0.00 -1.26 -5.07 105.19 100.02 2kgo n GLY 53 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.50 3.41 -1.46 1.61 0.00 -1.26 -4.92 120.64 116.52 2kgo n GLU 54 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 57.16 56.68 2kgo n GLU 54 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.88 2kgo n GLU 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2kgo n SER 55 N 0.00 1.98 -4.22 -1.84 7.64 -1.26 -4.46 113.62 111.46 2kgo n SER 55 Ca 0.00 0.28 -0.18 0.00 1.01 0.00 0.00 58.87 59.98 2kgo n SER 55 Cb 0.00 -1.27 0.09 0.00 -1.01 0.00 0.00 64.21 62.02 2kgo n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kgo n LEU 56 N 10.64 0.00 -0.00 -3.43 -0.00 -1.13 -4.88 117.00 118.18 2kgo n LEU 56 Ca 0.43 -1.86 0.00 0.00 -0.00 0.00 0.00 56.01 54.58 2kgo n LEU 56 Cb 0.25 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 43.19 2kgo n LEU 56 CO 0.77 -0.84 0.48 0.47 -0.00 0.00 0.00 177.39 178.27 2kgo n ASP 57 N -2.78 1.86 -3.57 1.45 9.92 -1.26 -4.83 116.55 117.35 2kgo n ASP 57 Ca 0.14 -1.96 -0.23 0.00 -0.53 0.00 0.00 54.79 52.20 2kgo n ASP 57 Cb 0.50 -0.01 -0.15 0.00 -0.64 0.00 0.00 41.12 40.81 2kgo n ASP 57 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2kgo s GLU 58 N -0.99 0.11 -0.10 -1.24 2.02 -1.26 -2.71 118.70 114.54 2kgo s GLU 58 Ca 0.01 0.02 -0.37 0.00 0.02 0.00 0.00 54.97 54.65 2kgo s GLU 58 Cb 0.01 -1.59 -0.15 0.00 0.10 0.00 0.00 34.13 32.50 2kgo s GLU 58 CO 0.00 -0.67 1.68 0.00 0.02 0.00 0.00 175.26 176.29 2kgo h GLU 60 N 7.04 0.00 0.00 0.00 4.11 -1.73 0.16 114.58 124.15 2kgo h GLU 60 Ca -0.47 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.93 2kgo h GLU 60 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2kgo h GLU 60 CO 0.91 0.00 -0.27 0.93 0.07 0.00 0.00 179.01 180.66 2kgo h GLU 61 N 0.00 0.00 0.00 1.06 4.39 -1.90 -3.42 114.58 114.71 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 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2kgo h GLU 61 CO 0.00 0.43 0.00 0.00 -1.16 0.00 0.00 179.01 178.28 2kgo n GLY 63 N -0.27 0.42 3.79 0.00 0.00 0.54 -4.98 105.19 104.69 2kgo n GLY 63 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.68 3.01 -0.15 4.61 0.00 -1.26 -4.60 121.76 120.70 2kgo s ALA 64 Ca 0.00 0.65 -0.31 0.00 0.00 0.00 0.00 51.96 52.30 2kgo s ALA 64 Cb 0.00 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 2kgo s ALA 64 CO 0.00 -0.23 2.07 -2.30 0.00 0.00 0.00 175.76 175.31 2kgo n PRO 65 N -0.41 2.07 -2.24 0.00 -0.02 -1.26 -1.40 135.00 131.74 2kgo n PRO 65 Ca 0.07 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 2kgo n PRO 65 Cb 0.51 -2.90 -0.03 0.00 -0.02 0.00 0.00 33.50 31.06 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 6.15 3.82 0.41 4.25 -1.09 -1.10 -4.87 121.20 128.77 2kgo s ILE 66 Ca 0.98 1.15 -0.24 0.00 -2.23 0.00 0.00 60.65 60.30 2kgo s ILE 66 Cb -0.54 -3.74 -0.09 0.00 -1.58 0.00 0.00 42.46 36.51 2kgo s ILE 66 CO 0.44 -0.03 1.07 -2.16 -1.23 0.00 0.00 174.94 173.02 2kgo s PRO 67 N 2.77 4.11 0.48 2.79 0.04 -1.26 -4.87 135.00 139.06 2kgo s PRO 67 Ca 0.63 1.55 0.32 0.00 0.04 0.00 0.00 61.00 63.55 2kgo s PRO 67 Cb -0.30 -2.53 1.58 0.00 0.04 0.00 0.00 34.50 33.29 2kgo s PRO 67 CO 0.25 -0.20 1.98 -0.56 0.04 0.00 0.00 177.00 178.51 2kgo h GLN 68 N 2.45 0.00 -0.54 4.56 -0.00 -1.96 -1.75 115.11 117.87 2kgo h GLN 68 Ca -0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.12 2kgo h GLN 68 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.68 2kgo h GLN 68 CO 0.62 0.00 0.17 0.00 -0.00 0.00 0.00 178.83 179.62 2kgo h ALA 69 N 2.05 0.70 -0.03 0.06 0.00 -2.00 -2.52 119.26 117.53 2kgo h ALA 69 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2kgo h ALA 69 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kgo h ALA 69 CO 0.00 0.37 -0.58 0.00 0.00 0.00 0.00 179.25 179.04 2kgo h ARG 70 N 0.74 0.10 -0.42 0.00 2.47 -1.71 -1.31 114.38 114.26 2kgo h ARG 70 Ca 0.17 -0.07 -0.12 0.00 -1.26 0.00 0.00 59.98 58.71 2kgo h ARG 70 Cb 0.28 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 2kgo h ARG 70 CO -0.01 0.66 -0.21 0.00 0.56 0.00 0.00 179.97 180.97 2kgo h ARG 71 N 0.08 0.83 0.00 0.04 3.08 -1.33 -0.92 114.38 116.16 2kgo h ARG 71 Ca -0.00 -0.34 -0.25 0.00 0.07 0.00 0.00 59.98 59.45 2kgo h ARG 71 Cb 1.05 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.02 2kgo h ARG 71 CO 0.08 0.97 -1.47 1.05 -1.07 0.00 0.00 179.97 179.53 2kgo h GLU 72 N 0.73 0.00 -0.23 0.04 4.11 -1.47 -3.36 114.58 114.40 2kgo h GLU 72 Ca 0.10 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.33 2kgo h GLU 72 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2kgo h GLU 72 CO 0.06 0.59 -0.63 0.00 0.07 0.00 0.00 179.01 179.09 2kgo h ALA 73 N 1.06 0.38 -3.76 1.06 0.00 -1.25 -3.42 119.26 113.33 2kgo h ALA 73 Ca -0.20 -0.55 -0.67 0.00 0.00 0.00 0.00 54.91 53.49 2kgo h ALA 73 Cb 1.89 -0.05 -0.36 0.00 0.00 0.00 0.00 17.79 19.27 2kgo h ALA 73 CO 0.09 0.66 -0.77 0.42 0.00 0.00 0.00 179.25 179.65 2kgo s ILE 74 N -3.96 2.40 -1.12 0.00 1.01 -0.35 -5.04 121.20 114.13 2kgo s ILE 74 Ca -0.11 -1.60 -0.20 0.00 0.00 0.00 0.00 60.65 58.74 2kgo s ILE 74 Cb 0.09 -2.42 -0.06 0.00 0.01 0.00 0.00 42.46 40.08 2kgo s ILE 74 CO 0.89 -0.08 1.94 -0.81 0.00 0.00 0.00 174.94 176.89 2kgo n PRO 75 N 4.47 2.08 0.00 2.79 -0.04 -1.26 -3.01 135.00 140.03 2kgo n PRO 75 Ca -0.13 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 60.89 2kgo n PRO 75 Cb 0.42 -3.34 0.00 0.00 -0.04 0.00 0.00 33.50 30.54 2kgo n PRO 75 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgo n GLY 76 N 5.01 0.50 3.77 0.55 0.00 -1.26 -4.77 105.19 108.98 2kgo n GLY 76 Ca 0.48 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 3.81 -0.03 1.61 0.11 -1.16 -4.62 120.40 120.11 2kgo s VAL 77 Ca 0.00 1.65 0.02 0.00 -2.93 0.00 0.00 61.98 60.72 2kgo s VAL 77 Cb 0.00 -3.99 -0.03 0.00 -1.53 0.00 0.00 36.38 30.83 2kgo s VAL 77 CO 0.00 0.27 0.00 0.54 -3.33 0.00 0.00 175.10 172.58 2kgo n ARG 78 N 0.84 2.80 -5.13 1.54 1.74 -1.26 -2.86 116.66 114.34 2kgo n ARG 78 Ca 0.01 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 2kgo n ARG 78 Cb 0.47 -1.07 -0.16 0.00 -1.02 0.00 0.00 32.46 30.68 2kgo n ARG 78 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kgo s LEU 79 N -4.42 2.03 0.77 0.55 1.43 -1.26 -1.86 118.68 115.91 2kgo s LEU 79 Ca -0.02 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 2kgo s LEU 79 Cb 0.01 -1.21 0.06 0.00 0.03 0.00 0.00 46.19 45.08 2kgo s LEU 79 CO 0.10 0.25 1.12 0.00 0.23 0.00 0.00 176.35 178.05 2kgo h ILE 81 N -0.88 0.34 0.03 0.00 2.10 -1.98 0.18 117.51 117.31 2kgo h ILE 81 Ca -0.45 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.44 2kgo h ILE 81 Cb 1.25 0.56 0.01 0.00 -1.09 0.00 0.00 36.82 37.55 2kgo h ILE 81 CO 0.50 0.00 -0.24 0.45 -1.08 0.00 0.00 178.15 177.78 2kgo h HIS 82 N 0.00 0.19 0.00 2.19 -0.00 -2.00 -2.85 115.15 112.67 2kgo h HIS 82 Ca 0.25 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2kgo h HIS 82 Cb 1.36 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.75 2kgo h HIS 82 CO 0.00 1.02 0.00 0.00 -0.00 0.00 0.00 177.93 178.95 2kgo h GLN 84 N 0.00 -0.00 -0.83 0.00 -0.00 -0.83 -3.31 115.11 110.15 2kgo h GLN 84 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 58.65 58.75 2kgo h GLN 84 Cb 0.82 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.25 2kgo h GLN 84 CO 0.00 0.92 0.54 -0.56 0.00 0.00 0.00 178.83 179.73 2kgo h GLN 85 N -0.99 0.75 -0.12 1.69 3.07 -1.62 0.23 115.11 118.13 2kgo h GLN 85 Ca -0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 58.65 58.68 2kgo h GLN 85 Cb 0.92 -0.17 -0.00 0.00 0.08 0.00 0.00 27.48 28.31 2kgo h GLN 85 CO 0.00 0.50 0.02 1.05 0.09 0.00 0.00 178.83 180.49 2kgo h GLU 86 N 0.78 0.20 0.00 0.06 4.11 -1.73 -3.14 114.58 114.86 2kgo h GLU 86 Ca 0.38 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 59.69 2kgo h GLU 86 Cb 0.44 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2kgo h GLU 86 CO -0.15 0.39 -0.31 0.87 0.07 0.00 0.00 179.01 179.87 2kgo h LYS 87 N -0.02 0.00 -0.27 1.06 1.79 -1.32 -3.02 116.57 114.80 2kgo h LYS 87 Ca 0.04 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 2kgo h LYS 87 Cb 0.28 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 2kgo h LYS 87 CO 0.00 0.31 -0.16 0.22 -1.08 0.00 0.00 179.45 178.75 2kgo h ASP 88 N 0.00 0.46 -0.14 0.86 3.58 -0.57 -2.11 116.42 118.51 2kgo h ASP 88 Ca -0.00 -0.13 -0.09 0.00 0.42 0.00 0.00 57.03 57.23 2kgo h ASP 88 Cb 0.91 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 2kgo h ASP 88 CO 0.04 0.64 -0.18 -0.07 -2.88 0.00 0.00 179.24 176.79 2kgo h LEU 89 N 0.43 0.53 0.00 2.28 3.38 -1.48 -3.23 115.31 117.23 2kgo h LEU 89 Ca 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2kgo h LEU 89 Cb 0.53 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2kgo h LEU 89 CO 0.03 0.73 -0.19 0.00 0.09 0.00 0.00 178.44 179.10 2kgo n GLN 90 N -4.16 0.11 -1.71 1.13 1.13 -0.81 -4.90 117.38 108.18 2kgo n GLN 90 Ca 0.00 0.07 -0.43 0.00 -1.94 0.00 0.00 57.00 54.69 2kgo n GLN 90 Cb 0.37 -1.60 -0.03 0.00 0.11 0.00 0.00 30.24 29.09 2kgo n GLN 90 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2kgo n LYS 91 N -1.78 2.43 0.38 -1.09 5.02 -1.09 -4.95 118.16 117.09 2kgo n LYS 91 Ca 0.06 0.87 -0.18 0.00 -2.02 0.00 0.00 58.31 57.04 2kgo n LYS 91 Cb 0.38 -2.63 -0.09 0.00 -0.02 0.00 0.00 35.03 32.67 2kgo n LYS 91 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2kgo h PRO 92 N 5.24 -0.91 -0.69 1.97 0.13 -1.93 -3.47 132.00 132.34 2kgo h PRO 92 Ca -0.45 0.06 -0.30 0.00 -0.87 0.00 0.00 66.00 64.44 2kgo h PRO 92 Cb 1.24 0.21 -0.12 0.00 0.13 0.00 0.00 31.00 32.46 2kgo h PRO 92 CO 0.83 -0.60 -0.27 0.00 -0.23 0.00 0.00 178.00 177.73 2kgo n ALA 93 N -2.51 -0.22 -3.04 -0.56 0.00 -1.26 -4.96 120.51 107.95 2kgo n ALA 93 Ca -0.14 0.24 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 2kgo n ALA 93 Cb 0.38 -1.76 -0.09 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.35 -0.02 -0.61 0.00 1.13 -1.26 -5.11 117.35 109.13 2kgo s TYR 94 Ca 0.00 -0.08 0.04 0.00 -1.41 0.00 0.00 57.07 55.63 2kgo s TYR 94 Cb 0.00 0.01 0.16 0.00 -1.10 0.00 0.00 41.96 41.03 2kgo s TYR 94 CO 0.00 -0.38 0.43 0.95 -2.51 0.00 0.00 175.55 174.04 2kgo s THR 95 N -1.89 2.17 -0.65 -3.49 -4.23 -1.26 -4.98 115.64 101.31 2kgo s THR 95 Ca -0.10 -3.73 -0.00 0.00 -1.18 0.00 0.00 61.69 56.68 2kgo s THR 95 Cb -0.04 -2.45 0.42 0.00 1.34 0.00 0.00 72.50 71.78 2kgo s THR 95 CO -0.00 -1.04 1.86 0.61 -0.54 0.00 0.00 174.62 175.50 2kgo n GLY 96 N 2.35 5.86 3.43 3.99 0.00 -1.26 -4.97 105.19 114.59 2kgo n GLY 96 Ca 0.20 -2.44 -0.27 0.00 0.00 0.00 0.00 46.02 43.52 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 -3.85 2.32 -0.25 1.61 1.13 -1.26 -5.04 117.35 112.01 2kgo s TYR 97 Ca 0.58 -0.35 0.27 0.00 -1.41 0.00 0.00 57.07 56.16 2kgo s TYR 97 Cb 0.47 -1.14 1.17 0.00 -1.10 0.00 0.00 41.96 41.36 2kgo s TYR 97 CO -0.13 0.51 1.81 -0.91 -2.51 0.00 0.00 175.55 174.32 2kgo h ASN 98 N 3.16 0.00 -0.73 -0.18 4.21 -2.07 -3.38 115.58 116.58 2kgo h ASN 98 Ca -0.46 0.00 -0.46 0.00 1.21 0.00 0.00 56.30 56.59 2kgo h ASN 98 Cb 1.21 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 38.35 2kgo h ASN 98 CO 0.49 0.00 1.39 -0.13 -1.29 0.00 0.00 177.43 177.88 2kgo s ARG 99 N -3.47 3.09 -0.38 0.81 0.52 -1.26 -4.85 118.95 113.41 2kgo s ARG 99 Ca 0.02 -1.21 0.02 0.00 -0.52 0.00 0.00 55.73 54.04 2kgo s ARG 99 Cb 0.09 -5.31 0.11 0.00 0.52 0.00 0.00 34.95 30.37 2kgo s ARG 99 CO 0.41 -3.10 0.14 1.03 0.02 0.00 0.00 175.30 173.80 2kgo s ARG 100 N 5.72 1.23 0.00 3.54 0.52 -1.26 -4.85 118.95 123.85 2kgo s ARG 100 Ca 0.61 -1.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 2kgo s ARG 100 Cb -0.01 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.88 2kgo s ARG 100 CO 0.05 -1.03 0.00 0.41 0.02 0.00 0.00 175.30 174.75 2kgo n GLY 101 N 4.13 -0.58 3.58 -3.53 0.00 -1.26 -5.08 105.19 102.43 2kgo n GLY 101 Ca 0.03 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 5.65 -0.23 1.61 1.04 -1.26 -4.94 113.70 115.56 2kgo s SER 102 Ca 0.00 -1.74 -0.10 0.00 0.48 0.00 0.00 55.95 54.59 2kgo s SER 102 Cb 0.00 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 2kgo s SER 102 CO 0.00 -2.40 0.13 -0.54 0.98 0.00 0.00 173.24 171.41 2kgo s LYS 103 N 5.81 4.00 -0.63 4.02 -0.14 -1.26 -5.03 119.74 126.51 2kgo s LYS 103 Ca 0.63 -0.31 -0.26 0.00 -1.36 0.00 0.00 55.97 54.67 2kgo s LYS 103 Cb -0.00 -3.45 -0.06 0.00 -1.68 0.00 0.00 37.83 32.63 2kgo s LYS 103 CO 0.08 0.06 2.20 -0.51 -0.76 0.00 0.00 175.35 176.42 2kgo s ASP 104 N 1.02 4.66 -0.20 2.83 1.11 -1.26 -4.82 116.67 120.01 2kgo s ASP 104 Ca 0.06 0.47 0.01 0.00 0.18 0.00 0.00 52.55 53.27 2kgo s ASP 104 Cb -0.14 -2.52 0.22 0.00 1.07 0.00 0.00 42.92 41.55 2kgo s ASP 104 CO 0.04 -2.90 1.62 -0.24 1.18 0.00 0.00 175.17 174.87 2kgo n SER 105 N 15.27 4.51 -4.43 0.27 2.88 -1.26 -4.91 113.62 125.94 2kgo n SER 105 Ca 0.34 -2.74 -0.26 0.00 -1.33 0.00 0.00 58.87 54.89 2kgo n SER 105 Cb 0.51 -0.81 -0.11 0.00 -0.75 0.00 0.00 64.21 63.05 2kgo n SER 105 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2kgo s GLN 106 N -1.32 1.54 -1.10 -1.46 -1.52 -1.26 -5.05 119.66 109.50 2kgo s GLN 106 Ca 0.23 -1.58 -0.16 0.00 -1.95 0.00 0.00 55.36 51.90 2kgo s GLN 106 Cb 0.18 -1.80 -0.07 0.00 -0.22 0.00 0.00 33.01 31.10 2kgo s GLN 106 CO 0.02 0.38 2.14 1.47 -0.25 0.00 0.00 175.29 179.05 2kgo n LEU 107 N 0.06 5.56 0.00 2.90 -0.00 -1.26 -5.28 117.00 118.98 2kgo n LEU 107 Ca -0.11 -3.45 0.00 0.00 -0.00 0.00 0.00 56.01 52.45 2kgo n LEU 107 Cb 0.57 -1.34 0.00 0.00 -0.00 0.00 0.00 43.42 42.65 2kgo n LEU 107 CO 0.31 0.48 0.14 -2.11 -0.00 0.00 0.00 177.39 176.21