#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 1.90 -0.01 -5.12 0.00 -1.26 -4.90 121.76 112.37 2kgo s ALA 22 Ca 0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 51.96 51.58 2kgo s ALA 22 Cb 0.00 -4.30 0.06 0.00 0.00 0.00 0.00 23.12 18.88 2kgo s ALA 22 CO 0.00 -4.12 0.62 -1.54 0.00 0.00 0.00 175.76 170.72 2kgo s SER 23 N 10.54 -0.58 0.00 0.00 1.04 -1.26 -4.89 113.70 118.55 2kgo s SER 23 Ca 0.89 0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2kgo s SER 23 Cb -0.17 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2kgo s SER 23 CO 0.25 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2kgo n GLY 24 N 0.75 1.59 0.33 7.32 0.00 0.40 -4.78 105.19 110.79 2kgo n GLY 24 Ca -0.19 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 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 1.20 0.00 1.61 5.08 -1.97 -3.41 115.95 118.46 2kgo h TRP 25 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 58.89 59.84 2kgo h TRP 25 Cb 0.00 -0.34 0.00 0.00 -3.00 0.00 0.00 29.16 25.82 2kgo h TRP 25 CO 0.00 0.95 -0.40 0.00 -1.28 0.00 0.00 178.44 177.70 2kgo n ALA 26 N -2.45 3.00 -2.64 0.11 0.00 -1.26 -5.06 120.51 112.20 2kgo n ALA 26 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.12 2kgo n ALA 26 Cb 0.24 0.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 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 -4.99 6.75 0.34 0.00 2.20 -1.26 -4.89 114.94 113.08 2kgo s ASN 27 Ca 0.00 0.89 -0.03 0.00 -0.94 0.00 0.00 52.86 52.78 2kgo s ASN 27 Cb 0.00 -2.29 0.01 0.00 -2.00 0.00 0.00 41.25 36.97 2kgo s ASN 27 CO 0.00 0.08 0.50 -0.67 -2.94 0.00 0.00 177.10 174.07 2kgo n ASP 28 N 3.18 -1.41 -0.10 3.54 2.03 -1.26 -0.45 116.55 122.08 2kgo n ASP 28 Ca -0.08 -2.74 -0.13 0.00 0.52 0.00 0.00 54.79 52.35 2kgo n ASP 28 Cb 0.52 2.57 -0.04 0.00 -0.72 0.00 0.00 41.12 43.45 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 1.86 0.77 0.25 1.67 3.58 -1.97 0.18 116.42 122.76 2kgo h ASP 29 Ca -0.26 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 56.72 2kgo h ASP 29 Cb 1.13 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.96 2kgo h ASP 29 CO 0.35 1.08 0.00 0.00 -2.88 0.00 0.00 179.24 177.79 2kgo n ALA 30 N -2.50 2.33 -0.05 -0.78 0.00 -1.26 -1.63 120.51 116.62 2kgo n ALA 30 Ca -0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 2kgo n ALA 30 Cb 0.47 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.16 0.66 1.07 0.00 0.31 -1.13 -4.64 118.33 113.45 2kgo n VAL 31 Ca 0.15 -0.36 0.13 0.00 -0.01 0.00 0.00 64.34 64.25 2kgo n VAL 31 Cb 0.15 -0.80 0.50 0.00 -0.91 0.00 0.00 33.84 32.77 2kgo n VAL 31 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2kgo n ASN 32 N -2.49 0.24 0.23 4.52 5.15 0.62 -2.88 115.26 120.65 2kgo n ASN 32 Ca -0.17 0.07 0.13 0.00 -0.60 0.00 0.00 54.58 54.01 2kgo n ASN 32 Cb 0.79 -0.18 0.34 0.00 -0.53 0.00 0.00 39.78 40.20 2kgo n ASN 32 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 2kgo h GLU 33 N 0.09 0.00 0.01 1.20 -0.00 -1.54 0.25 114.58 114.58 2kgo h GLU 33 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.16 2kgo h GLU 33 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.20 2kgo h GLU 33 CO 0.00 0.04 -0.91 1.96 -0.00 0.00 0.00 179.01 180.09 2kgo h GLN 34 N 0.00 0.08 -0.02 1.06 7.50 -1.82 -2.93 115.11 118.98 2kgo h GLN 34 Ca -0.00 -0.10 -0.18 0.00 0.50 0.00 0.00 58.65 58.87 2kgo h GLN 34 Cb 0.85 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.40 2kgo h GLN 34 CO 0.00 0.93 -0.79 0.82 -1.50 0.00 0.00 178.83 178.30 2kgo h ILE 35 N 0.04 1.46 -0.64 2.54 1.08 -1.50 -3.14 117.51 117.35 2kgo h ILE 35 Ca -0.03 -2.43 -0.35 0.00 -0.39 0.00 0.00 64.86 61.66 2kgo h ILE 35 Cb 1.58 2.32 -0.20 0.00 -3.07 0.00 0.00 36.82 37.46 2kgo h ILE 35 CO 0.13 0.71 0.45 0.59 -0.69 0.00 0.00 178.15 179.34 2kgo n ASN 36 N -3.72 4.13 0.00 1.72 4.13 0.84 -4.48 115.26 117.89 2kgo n ASN 36 Ca -0.03 -3.08 0.07 0.00 1.68 0.00 0.00 54.58 53.21 2kgo n ASN 36 Cb 0.75 -0.78 0.39 0.00 -1.54 0.00 0.00 39.78 38.60 2kgo n ASN 36 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2kgo n SER 37 N -0.46 0.00 0.05 6.41 3.41 -1.11 -1.93 113.62 119.99 2kgo n SER 37 Ca 0.39 -0.43 -0.02 0.00 -0.26 0.00 0.00 58.87 58.55 2kgo n SER 37 Cb 1.13 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 65.34 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 1.25 -0.26 6.66 2.02 -1.89 -1.46 112.91 119.23 2kgo h THR 38 Ca 0.00 -1.18 -0.14 0.00 0.77 0.00 0.00 66.41 65.87 2kgo h THR 38 Cb 0.00 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2kgo h THR 38 CO 0.00 0.37 -0.37 0.40 0.37 0.00 0.00 175.52 176.29 2kgo h ILE 39 N 0.34 1.30 0.00 3.11 5.03 -1.77 -0.56 117.51 124.97 2kgo h ILE 39 Ca 0.05 -1.56 -0.12 0.00 -0.12 0.00 0.00 64.86 63.11 2kgo h ILE 39 Cb 0.61 1.67 -0.02 0.00 -3.03 0.00 0.00 36.82 36.05 2kgo h ILE 39 CO 0.04 0.50 -0.59 1.05 -0.68 0.00 0.00 178.15 178.47 2kgo h GLU 40 N 0.45 0.00 -0.64 2.37 4.11 -1.71 -2.44 114.58 116.71 2kgo h GLU 40 Ca 0.03 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.37 2kgo h GLU 40 Cb 0.96 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2kgo h GLU 40 CO 0.09 0.59 0.04 0.22 0.07 0.00 0.00 179.01 180.02 2kgo h ASP 41 N 0.00 1.06 -0.19 3.06 1.82 -1.19 0.11 116.42 121.10 2kgo h ASP 41 Ca -0.01 -0.29 -0.05 0.00 -0.39 0.00 0.00 57.03 56.30 2kgo h ASP 41 Cb 1.26 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.97 2kgo h ASP 41 CO 0.08 1.09 -0.01 0.00 -1.61 0.00 0.00 179.24 178.79 2kgo h ALA 42 N 1.02 1.43 0.00 -0.78 0.00 -0.67 -1.82 119.26 118.44 2kgo h ALA 42 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kgo h ALA 42 Cb 0.52 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2kgo h ALA 42 CO 0.02 0.40 -0.75 0.82 0.00 0.00 0.00 179.25 179.75 2kgo h ILE 43 N 0.44 0.05 0.36 0.00 1.08 -1.32 -3.26 117.51 114.87 2kgo h ILE 43 Ca 0.10 -1.09 -0.02 0.00 -0.39 0.00 0.00 64.86 63.46 2kgo h ILE 43 Cb 0.31 1.69 0.00 0.00 -3.07 0.00 0.00 36.82 35.75 2kgo h ILE 43 CO 0.01 0.03 -0.17 0.00 -0.69 0.00 0.00 178.15 177.33 2kgo h ALA 44 N 1.95 -0.49 0.00 1.87 0.00 0.03 -0.90 119.26 121.72 2kgo h ALA 44 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kgo h ALA 44 Cb 1.05 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kgo h ALA 44 CO 0.00 -0.60 0.00 2.89 0.00 0.00 0.00 179.25 181.54 2kgo n ARG 45 N -5.17 0.15 -0.09 0.00 -4.01 -0.83 -0.89 116.66 105.82 2kgo n ARG 45 Ca -0.10 0.15 -0.15 0.00 -1.04 0.00 0.00 57.85 56.71 2kgo n ARG 45 Cb 0.28 -1.50 -0.09 0.00 -3.04 0.00 0.00 32.46 28.11 2kgo n ARG 45 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kgo h ALA 46 N 2.74 0.15 0.00 2.89 0.00 -1.55 -3.45 119.26 120.04 2kgo h ALA 46 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2kgo h ALA 46 Cb 0.23 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2kgo h ALA 46 CO 0.00 0.53 -0.05 2.89 0.00 0.00 0.00 179.25 182.62 2kgo n ARG 47 N -4.52 2.33 -0.74 0.00 -4.01 -0.36 -5.05 116.66 104.31 2kgo n ARG 47 Ca -0.21 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.60 2kgo n ARG 47 Cb 0.51 -0.24 0.00 0.00 -3.04 0.00 0.00 32.46 29.70 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 0.27 0.61 0.00 2.89 0.00 -0.07 -5.03 105.19 103.86 2kgo n GLY 48 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.46 0.00 -4.75 1.61 4.07 -1.15 -4.85 120.64 115.11 2kgo n GLU 49 Ca 0.00 0.02 -0.33 0.00 -0.06 0.00 0.00 57.16 56.79 2kgo n GLU 49 Cb 0.20 -0.93 -0.16 0.00 -0.06 0.00 0.00 31.44 30.49 2kgo n GLU 49 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2kgo s ILE 50 N -0.89 2.40 0.38 6.31 -1.09 -1.26 -4.97 121.20 122.08 2kgo s ILE 50 Ca 0.00 -0.87 -0.06 0.00 -2.23 0.00 0.00 60.65 57.49 2kgo s ILE 50 Cb 0.00 -1.98 0.09 0.00 -1.58 0.00 0.00 42.46 38.99 2kgo s ILE 50 CO 0.00 0.54 0.20 -2.65 -1.23 0.00 0.00 174.94 171.80 2kgo n PRO 51 N 3.88 -1.69 -1.05 2.79 -0.02 -1.26 -4.72 135.00 132.93 2kgo n PRO 51 Ca -0.19 -0.34 -0.16 0.00 -2.02 0.00 0.00 63.50 60.79 2kgo n PRO 51 Cb 0.52 -0.51 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 2kgo n PRO 51 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2kgo n ARG 52 N -2.17 1.92 -1.06 -0.52 5.12 -1.26 -4.50 116.66 114.19 2kgo n ARG 52 Ca 0.03 -1.38 -0.02 0.00 -1.93 0.00 0.00 57.85 54.55 2kgo n ARG 52 Cb 0.14 -1.80 -0.01 0.00 -1.16 0.00 0.00 32.46 29.63 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 1.37 0.56 1.34 -0.13 0.00 -1.26 -5.05 105.19 102.02 2kgo n GLY 53 Ca 0.35 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 2kgo n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kgo n GLU 54 N -2.85 0.08 -1.69 1.61 1.02 -1.26 -4.60 120.64 112.95 2kgo n GLU 54 Ca -0.02 -0.86 -0.44 0.00 -0.02 0.00 0.00 57.16 55.82 2kgo n GLU 54 Cb 0.08 -0.31 -0.03 0.00 -0.02 0.00 0.00 31.44 31.16 2kgo n GLU 54 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2kgo n SER 55 N -3.08 3.26 -4.43 1.62 7.64 -1.26 -4.54 113.62 112.82 2kgo n SER 55 Ca 0.06 1.11 -0.17 0.00 1.01 0.00 0.00 58.87 60.88 2kgo n SER 55 Cb 0.20 -1.48 0.04 0.00 -1.01 0.00 0.00 64.21 61.96 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 2.79 0.00 -0.06 -3.43 -0.00 -1.13 -4.91 117.00 110.26 2kgo n LEU 56 Ca 0.13 -2.15 0.01 0.00 -0.00 0.00 0.00 56.01 54.00 2kgo n LEU 56 Cb 0.32 -0.29 0.01 0.00 -0.00 0.00 0.00 43.42 43.46 2kgo n LEU 56 CO 0.63 -0.65 0.31 -0.90 -0.00 0.00 0.00 177.39 176.79 2kgo n ASP 57 N -2.32 1.27 -3.65 1.45 5.75 -1.26 -4.80 116.55 112.99 2kgo n ASP 57 Ca 0.10 -1.20 -0.26 0.00 -0.01 0.00 0.00 54.79 53.43 2kgo n ASP 57 Cb 0.50 -0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.42 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 -0.25 0.20 0.00 0.11 2.02 -1.26 -2.06 118.70 117.46 2kgo s GLU 58 Ca 0.02 -0.10 -0.37 0.00 0.02 0.00 0.00 54.97 54.54 2kgo s GLU 58 Cb 0.01 -1.71 -0.16 0.00 0.10 0.00 0.00 34.13 32.37 2kgo s GLU 58 CO 0.02 -0.61 1.47 0.00 0.02 0.00 0.00 175.26 176.15 2kgo n GLU 60 N 3.36 0.05 -0.08 0.00 0.28 -0.68 -0.78 120.64 122.78 2kgo n GLU 60 Ca 0.20 0.15 -0.12 0.00 -0.16 0.00 0.00 57.16 57.24 2kgo n GLU 60 Cb 0.19 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.49 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 -3.44 114.58 117.07 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 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2kgo h GLU 61 CO 0.00 0.51 -0.05 0.00 -1.16 0.00 0.00 179.01 178.31 2kgo n GLY 63 N -0.21 0.29 3.80 0.00 0.00 0.04 -4.97 105.19 104.12 2kgo n GLY 63 Ca 0.01 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 -2.66 2.95 -0.18 4.61 0.00 -1.26 -4.59 121.76 120.63 2kgo s ALA 64 Ca 0.00 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 2kgo s ALA 64 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 2kgo s ALA 64 CO 0.00 -0.20 2.08 -1.25 0.00 0.00 0.00 175.76 176.39 2kgo s PRO 65 N -3.05 3.39 -0.06 0.00 0.04 -1.26 -1.54 135.00 132.52 2kgo s PRO 65 Ca 0.64 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.44 2kgo s PRO 65 Cb -0.16 -4.29 -0.05 0.00 0.04 0.00 0.00 34.50 30.03 2kgo s PRO 65 CO 0.20 -1.80 1.66 0.42 0.04 0.00 0.00 177.00 177.52 2kgo s ILE 66 N 7.20 3.58 0.47 0.56 -1.09 -0.87 -4.86 121.20 126.19 2kgo s ILE 66 Ca 0.94 0.70 -0.20 0.00 -2.23 0.00 0.00 60.65 59.85 2kgo s ILE 66 Cb -0.33 -3.46 -0.09 0.00 -1.58 0.00 0.00 42.46 37.00 2kgo s ILE 66 CO 0.36 -0.07 1.02 -2.16 -1.23 0.00 0.00 174.94 172.86 2kgo s PRO 67 N 4.08 3.90 0.55 2.79 0.04 -1.26 -4.85 135.00 140.25 2kgo s PRO 67 Ca 0.74 1.31 0.23 0.00 0.04 0.00 0.00 61.00 63.32 2kgo s PRO 67 Cb -0.33 -2.12 1.55 0.00 0.04 0.00 0.00 34.50 33.64 2kgo s PRO 67 CO 0.30 -0.34 2.19 -0.56 0.04 0.00 0.00 177.00 178.63 2kgo h GLN 68 N 1.66 0.00 -0.73 4.56 -0.00 -1.97 -1.94 115.11 116.68 2kgo h GLN 68 Ca -0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.12 2kgo h GLN 68 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.66 2kgo h GLN 68 CO 0.59 0.02 0.33 0.00 -0.00 0.00 0.00 178.83 179.77 2kgo h ALA 69 N 1.98 0.95 -0.04 0.06 0.00 -2.00 -1.35 119.26 118.87 2kgo h ALA 69 Ca -0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 2kgo h ALA 69 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2kgo h ALA 69 CO 0.00 0.53 -0.60 0.00 0.00 0.00 0.00 179.25 179.18 2kgo h ARG 70 N 1.04 0.14 -0.18 0.00 2.47 -1.75 -1.89 114.38 114.21 2kgo h ARG 70 Ca 0.25 -0.10 -0.15 0.00 -1.26 0.00 0.00 59.98 58.72 2kgo h ARG 70 Cb 0.15 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 2kgo h ARG 70 CO -0.03 0.70 -0.52 0.00 0.56 0.00 0.00 179.97 180.68 2kgo h ARG 71 N 0.10 0.50 0.13 0.04 3.08 -1.14 -0.54 114.38 116.55 2kgo h ARG 71 Ca -0.01 -0.30 -0.31 0.00 0.07 0.00 0.00 59.98 59.43 2kgo h ARG 71 Cb 1.09 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 2kgo h ARG 71 CO 0.09 0.90 -1.59 1.05 -1.07 0.00 0.00 179.97 179.35 2kgo h GLU 72 N 0.39 0.27 -0.29 0.04 4.11 -1.30 -3.35 114.58 114.45 2kgo h GLU 72 Ca 0.01 -0.46 -0.14 0.00 0.07 0.00 0.00 59.36 58.85 2kgo h GLU 72 Cb 1.04 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2kgo h GLU 72 CO 0.09 1.13 -0.39 0.00 0.07 0.00 0.00 179.01 179.92 2kgo h ALA 73 N 0.43 0.78 -3.59 1.06 0.00 -1.37 -3.39 119.26 113.18 2kgo h ALA 73 Ca -0.27 -0.44 -0.65 0.00 0.00 0.00 0.00 54.91 53.56 2kgo h ALA 73 Cb 2.03 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 19.31 2kgo h ALA 73 CO 0.16 0.65 -0.73 0.42 0.00 0.00 0.00 179.25 179.76 2kgo s ILE 74 N -4.30 2.03 -1.04 0.00 1.01 -0.21 -5.05 121.20 113.63 2kgo s ILE 74 Ca -0.08 -2.19 -0.24 0.00 0.00 0.00 0.00 60.65 58.14 2kgo s ILE 74 Cb 0.12 -2.51 -0.07 0.00 0.01 0.00 0.00 42.46 40.02 2kgo s ILE 74 CO 0.84 -0.62 1.94 -2.16 0.00 0.00 0.00 174.94 174.94 2kgo s PRO 75 N 1.01 2.53 0.00 2.79 0.04 -1.26 -2.32 135.00 137.80 2kgo s PRO 75 Ca 0.11 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.42 2kgo s PRO 75 Cb -0.19 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.20 2kgo s PRO 75 CO -0.11 -3.67 0.00 0.41 0.04 0.00 0.00 177.00 173.67 2kgo n GLY 76 N 6.33 1.09 3.76 0.56 0.00 -1.26 -4.73 105.19 110.95 2kgo n GLY 76 Ca 0.42 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.78 3.21 0.00 1.61 0.11 -0.98 -4.76 120.40 117.81 2kgo s VAL 77 Ca 0.00 1.17 0.00 0.00 -2.93 0.00 0.00 61.98 60.22 2kgo s VAL 77 Cb 0.00 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 2kgo s VAL 77 CO 0.00 0.24 0.41 -2.11 -3.33 0.00 0.00 175.10 170.31 2kgo n ARG 78 N 0.80 0.14 -4.38 1.54 -4.01 -1.26 -2.82 116.66 106.68 2kgo n ARG 78 Ca 0.00 -0.44 -0.24 0.00 -1.04 0.00 0.00 57.85 56.14 2kgo n ARG 78 Cb 0.44 -0.54 -0.17 0.00 -3.04 0.00 0.00 32.46 29.16 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 -0.05 1.49 0.74 2.89 1.43 -1.26 -1.68 118.68 122.24 2kgo s LEU 79 Ca 0.00 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 2kgo s LEU 79 Cb 0.00 -0.75 0.04 0.00 0.03 0.00 0.00 46.19 45.51 2kgo s LEU 79 CO 0.00 -0.01 1.12 0.00 0.23 0.00 0.00 176.35 177.69 2kgo h ILE 81 N -0.65 0.42 -0.00 0.00 2.10 -1.97 0.34 117.51 117.76 2kgo h ILE 81 Ca -0.45 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.46 2kgo h ILE 81 Cb 1.25 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.55 2kgo h ILE 81 CO 0.51 0.00 -0.08 0.45 -1.08 0.00 0.00 178.15 177.94 2kgo h HIS 82 N 0.00 0.09 0.00 2.19 -0.00 -2.00 -2.34 115.15 113.09 2kgo h HIS 82 Ca 0.30 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 2kgo h HIS 82 Cb 1.45 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.85 2kgo h HIS 82 CO 0.00 0.81 0.00 0.00 -0.00 0.00 0.00 177.93 178.74 2kgo h GLN 84 N 0.00 0.19 -0.98 0.00 -0.00 -0.43 -3.24 115.11 110.65 2kgo h GLN 84 Ca 0.00 -0.33 0.09 0.00 -0.00 0.00 0.00 58.65 58.42 2kgo h GLN 84 Cb 0.82 0.12 -0.07 0.00 0.00 0.00 0.00 27.48 28.35 2kgo h GLN 84 CO 0.00 1.16 0.63 -0.56 0.00 0.00 0.00 178.83 180.05 2kgo h GLN 85 N -0.59 1.02 -0.29 1.69 3.07 -1.54 0.35 115.11 118.81 2kgo h GLN 85 Ca -0.10 -0.06 -0.12 0.00 0.09 0.00 0.00 58.65 58.46 2kgo h GLN 85 Cb 1.42 -0.23 -0.00 0.00 0.08 0.00 0.00 27.48 28.75 2kgo h GLN 85 CO 0.09 0.67 -0.29 1.05 0.09 0.00 0.00 178.83 180.45 2kgo h GLU 86 N 1.05 0.71 0.00 0.06 4.11 -1.73 -3.19 114.58 115.58 2kgo h GLU 86 Ca 0.45 -0.37 -0.04 0.00 0.07 0.00 0.00 59.36 59.48 2kgo h GLU 86 Cb 0.34 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2kgo h GLU 86 CO -0.21 0.99 -0.17 0.87 0.07 0.00 0.00 179.01 180.56 2kgo h LYS 87 N 0.45 0.00 -0.05 1.06 1.79 -1.31 -2.96 116.57 115.56 2kgo h LYS 87 Ca 0.05 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 2kgo h LYS 87 Cb 0.86 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 2kgo h LYS 87 CO 0.07 0.17 -0.35 0.22 -1.08 0.00 0.00 179.45 178.48 2kgo h ASP 88 N 0.00 0.09 -0.00 0.86 3.58 -0.35 -2.37 116.42 118.23 2kgo h ASP 88 Ca -0.00 -0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 2kgo h ASP 88 Cb 0.89 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 2kgo h ASP 88 CO 0.02 0.44 -0.30 -0.07 -2.88 0.00 0.00 179.24 176.45 2kgo h LEU 89 N 0.08 0.46 -0.20 2.28 3.38 -1.52 -3.20 115.31 116.58 2kgo h LEU 89 Ca 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2kgo h LEU 89 Cb 0.67 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kgo h LEU 89 CO 0.05 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.32 2kgo n GLN 90 N -4.09 0.18 -2.62 1.13 1.13 -0.90 -4.66 117.38 107.54 2kgo n GLN 90 Ca -0.01 0.24 -0.43 0.00 -1.94 0.00 0.00 57.00 54.87 2kgo n GLN 90 Cb 0.43 -1.75 -0.02 0.00 0.11 0.00 0.00 30.24 29.01 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 -3.14 4.38 0.00 -1.09 1.02 -1.20 -4.94 119.74 114.78 2kgo s LYS 91 Ca 0.09 1.46 0.21 0.00 0.02 0.00 0.00 55.97 57.75 2kgo s LYS 91 Cb 0.12 -3.57 1.27 0.00 -0.52 0.00 0.00 37.83 35.13 2kgo s LYS 91 CO 0.50 -0.40 1.69 -0.35 -0.92 0.00 0.00 175.35 175.87 2kgo n PRO 92 N 5.28 0.78 -1.04 -1.68 -0.04 -1.26 -4.87 135.00 132.16 2kgo n PRO 92 Ca 0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.54 2kgo n PRO 92 Cb 0.48 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 2kgo n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kgo n ALA 93 N -0.92 -0.02 -2.90 0.55 0.00 -1.26 -4.97 120.51 110.99 2kgo n ALA 93 Ca 0.16 0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.53 2kgo n ALA 93 Cb 0.07 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.60 0.34 -0.22 0.00 -0.85 -1.26 -5.14 117.35 108.62 2kgo s TYR 94 Ca 0.00 -0.70 -0.01 0.00 -0.52 0.00 0.00 57.07 55.84 2kgo s TYR 94 Cb 0.00 0.05 0.06 0.00 0.38 0.00 0.00 41.96 42.45 2kgo s TYR 94 CO 0.00 -0.81 0.00 0.95 -1.52 0.00 0.00 175.55 174.17 2kgo s THR 95 N -3.97 0.98 -0.06 -3.49 -4.23 -1.26 -5.04 115.64 98.56 2kgo s THR 95 Ca 0.18 -0.91 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 2kgo s THR 95 Cb 0.02 -1.41 -0.10 0.00 1.34 0.00 0.00 72.50 72.35 2kgo s THR 95 CO 0.02 -0.20 2.80 0.61 -0.54 0.00 0.00 174.62 177.31 2kgo n GLY 96 N 4.87 3.01 0.00 3.99 0.00 -1.26 -2.89 105.19 112.91 2kgo n GLY 96 Ca -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2kgo n GLY 96 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2kgo n TYR 97 N 1.81 0.00 -1.04 1.61 4.11 -1.26 -5.18 117.16 117.20 2kgo n TYR 97 Ca 0.26 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.29 2kgo n TYR 97 Cb 0.70 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.99 2kgo n TYR 97 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 2kgo n ASN 98 N -0.91 -6.26 -3.87 9.48 3.02 -1.14 -5.06 115.26 110.51 2kgo n ASN 98 Ca 0.00 0.76 -0.09 0.00 -0.03 0.00 0.00 54.58 55.22 2kgo n ASN 98 Cb 0.00 -3.39 -0.08 0.00 -0.61 0.00 0.00 39.78 35.71 2kgo n ASN 98 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2kgo s ARG 99 N -2.95 0.79 -0.01 3.52 0.52 -1.26 -5.04 118.95 114.53 2kgo s ARG 99 Ca 0.00 -0.88 0.22 0.00 -0.52 0.00 0.00 55.73 54.54 2kgo s ARG 99 Cb 0.00 0.32 -0.26 0.00 0.52 0.00 0.00 34.95 35.53 2kgo s ARG 99 CO 0.00 -0.24 0.67 0.54 0.02 0.00 0.00 175.30 176.30 2kgo n ARG 100 N 0.16 0.42 0.00 3.54 5.12 -1.26 -4.96 116.66 119.68 2kgo n ARG 100 Ca -0.16 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.65 2kgo n ARG 100 Cb 0.61 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.38 2kgo n ARG 100 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kgo n GLY 101 N 1.34 1.34 3.69 -0.13 0.00 -1.26 -5.13 105.19 105.05 2kgo n GLY 101 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 2kgo n GLY 101 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kgo n SER 102 N 0.00 3.66 -4.54 1.61 7.64 -1.26 -5.02 113.62 115.72 2kgo n SER 102 Ca 0.00 1.05 -0.25 0.00 1.01 0.00 0.00 58.87 60.67 2kgo n SER 102 Cb 0.00 -1.50 -0.09 0.00 -1.01 0.00 0.00 64.21 61.60 2kgo n SER 102 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2kgo s LYS 103 N 1.64 1.93 0.05 1.43 1.02 -1.26 -5.00 119.74 119.54 2kgo s LYS 103 Ca 0.79 -1.48 -0.04 0.00 0.02 0.00 0.00 55.97 55.26 2kgo s LYS 103 Cb -0.57 -2.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 2kgo s LYS 103 CO 0.37 0.38 0.07 0.34 -0.92 0.00 0.00 175.35 175.59 2kgo s ASP 104 N -3.19 0.26 0.00 2.83 2.15 -1.26 -5.07 116.67 112.39 2kgo s ASP 104 Ca 0.27 -0.69 0.00 0.00 0.43 0.00 0.00 52.55 52.56 2kgo s ASP 104 Cb -0.07 0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.78 2kgo s ASP 104 CO 0.15 -0.57 0.05 -0.24 -0.17 0.00 0.00 175.17 174.40 2kgo n SER 105 N 0.46 0.00 -3.71 -0.34 2.88 -1.26 -5.12 113.62 106.53 2kgo n SER 105 Ca -0.17 -1.00 -0.12 0.00 -1.33 0.00 0.00 58.87 56.25 2kgo n SER 105 Cb 0.60 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.96 2kgo n SER 105 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kgo s GLN 106 N 0.00 0.49 -0.22 -1.46 0.00 -1.26 -5.06 119.66 112.15 2kgo s GLN 106 Ca 0.00 0.68 0.15 0.00 -0.00 0.00 0.00 55.36 56.19 2kgo s GLN 106 Cb 0.00 0.18 0.46 0.00 0.00 0.00 0.00 33.01 33.65 2kgo s GLN 106 CO 0.00 -0.09 1.17 1.47 0.00 0.00 0.00 175.29 177.84 2kgo n LEU 107 N 3.26 2.90 -0.27 2.60 -0.00 -1.26 -5.28 117.00 118.95 2kgo n LEU 107 Ca -0.16 -3.65 0.15 0.00 -0.00 0.00 0.00 56.01 52.35 2kgo n LEU 107 Cb 0.57 -0.08 0.71 0.00 -0.00 0.00 0.00 43.42 44.62 2kgo n LEU 107 CO 0.10 1.41 0.98 0.54 -0.00 0.00 0.00 177.39 180.42