#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncg s TRP 2 N 0.00 3.23 -0.09 0.00 0.52 -1.26 -4.99 118.94 116.35 1ncg s TRP 2 Ca 0.00 1.02 -0.17 0.00 0.02 0.00 0.00 56.10 56.98 1ncg s TRP 2 Cb 0.00 -3.67 -0.05 0.00 -1.15 0.00 0.00 33.47 28.60 1ncg s TRP 2 CO 0.00 -2.29 0.43 0.14 0.02 0.00 0.00 176.95 175.26 1ncg s VAL 3 N 0.76 5.16 0.24 4.03 -7.23 -1.26 -5.04 120.40 117.06 1ncg s VAL 3 Ca 0.62 0.87 -0.30 0.00 -1.81 0.00 0.00 61.98 61.36 1ncg s VAL 3 Cb -0.37 -3.77 -0.09 0.00 0.56 0.00 0.00 36.38 32.71 1ncg s VAL 3 CO 0.33 0.40 1.21 -0.51 -0.31 0.00 0.00 175.10 176.23 1ncg s ILE 4 N 0.16 3.33 0.48 -0.62 2.07 -1.26 -4.96 121.20 120.40 1ncg s ILE 4 Ca 0.24 1.20 -0.23 0.00 -1.41 0.00 0.00 60.65 60.44 1ncg s ILE 4 Cb -0.15 -3.76 -0.07 0.00 0.13 0.00 0.00 42.46 38.61 1ncg s ILE 4 CO 0.10 0.23 1.28 -2.84 -1.91 0.00 0.00 174.94 171.80 1ncg s PRO 5 N -0.78 3.55 0.53 3.50 0.02 -1.26 -4.82 135.00 135.74 1ncg s PRO 5 Ca 0.51 2.06 -0.22 0.00 0.02 0.00 0.00 61.00 63.37 1ncg s PRO 5 Cb -0.34 -2.42 -0.05 0.00 0.02 0.00 0.00 34.50 31.70 1ncg s PRO 5 CO 0.41 -0.80 1.28 -2.14 -0.33 0.00 0.00 177.00 175.41 1ncg s PRO 6 N -2.68 3.30 0.28 5.54 0.02 -1.26 -4.81 135.00 135.38 1ncg s PRO 6 Ca 0.65 2.04 -0.03 0.00 0.02 0.00 0.00 61.00 63.68 1ncg s PRO 6 Cb -0.36 -2.26 -0.05 0.00 0.02 0.00 0.00 34.50 31.86 1ncg s PRO 6 CO 0.43 -1.01 0.52 0.42 -0.33 0.00 0.00 177.00 177.03 1ncg s ILE 7 N -1.41 5.08 -0.13 2.83 1.01 0.10 -4.97 121.20 123.70 1ncg s ILE 7 Ca 0.70 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.23 1ncg s ILE 7 Cb -0.36 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.38 1ncg s ILE 7 CO 0.42 -0.33 -0.13 0.20 0.00 0.00 0.00 174.94 175.10 1ncg s ASN 8 N -3.30 2.52 -0.10 3.58 0.01 -1.26 -1.29 114.94 115.09 1ncg s ASN 8 Ca 0.42 -0.43 0.03 0.00 -0.71 0.00 0.00 52.86 52.17 1ncg s ASN 8 Cb -0.11 -1.08 0.01 0.00 0.41 0.00 0.00 41.25 40.48 1ncg s ASN 8 CO 0.31 -0.06 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.87 1ncg s LEU 9 N 1.46 1.96 0.48 0.60 1.43 0.12 -4.95 118.68 119.77 1ncg s LEU 9 Ca 0.03 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 52.43 1ncg s LEU 9 Cb -0.13 -1.26 -0.09 0.00 0.03 0.00 0.00 46.19 44.74 1ncg s LEU 9 CO -0.09 0.11 1.01 -2.16 0.23 0.00 0.00 176.35 175.45 1ncg s PRO 10 N 0.55 3.90 1.18 1.29 0.04 -1.26 0.11 135.00 140.81 1ncg s PRO 10 Ca -0.15 1.24 -0.18 0.00 0.04 0.00 0.00 61.00 61.95 1ncg s PRO 10 Cb -0.17 -2.12 0.28 0.00 0.04 0.00 0.00 34.50 32.53 1ncg s PRO 10 CO 0.05 -0.33 1.08 -1.83 0.04 0.00 0.00 177.00 176.02 1ncg s GLU 11 N -3.37 -1.05 -1.16 4.56 -1.05 -0.55 -4.19 118.70 111.90 1ncg s GLU 11 Ca 0.65 0.11 -0.07 0.00 -0.15 0.00 0.00 54.97 55.50 1ncg s GLU 11 Cb -0.14 -1.60 0.06 0.00 -0.44 0.00 0.00 34.13 32.01 1ncg s GLU 11 CO 0.20 -3.63 0.36 0.09 0.95 0.00 0.00 175.26 173.22 1ncg n ASN 12 N -4.74 -3.50 -4.77 0.83 3.02 -0.67 -4.82 115.26 100.61 1ncg n ASN 12 Ca 0.11 -0.23 -0.41 0.00 -0.03 0.00 0.00 54.58 54.02 1ncg n ASN 12 Cb 0.59 -2.93 -0.02 0.00 -0.61 0.00 0.00 39.78 36.81 1ncg n ASN 12 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ncg s SER 13 N -2.54 6.65 0.00 6.41 0.15 -1.26 -4.86 113.70 118.25 1ncg s SER 13 Ca 0.30 2.77 0.15 0.00 0.70 0.00 0.00 55.95 59.87 1ncg s SER 13 Cb -0.16 -2.65 0.58 0.00 -1.71 0.00 0.00 66.02 62.08 1ncg s SER 13 CO 0.37 -0.65 1.42 0.54 1.20 0.00 0.00 173.24 176.12 1ncg n ARG 14 N 1.03 1.62 0.00 5.44 1.74 -1.26 -4.38 116.66 120.85 1ncg n ARG 14 Ca 0.02 -0.94 0.00 0.00 -0.77 0.00 0.00 57.85 56.15 1ncg n ARG 14 Cb 0.41 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1ncg n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ncg n GLY 15 N 1.02 2.90 3.34 -0.13 0.00 -1.26 -4.70 105.19 106.36 1ncg n GLY 15 Ca 0.13 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1ncg n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ncg n PRO 16 N 13.76 -0.04 -5.16 1.61 -0.04 -1.26 -5.08 135.00 138.78 1ncg n PRO 16 Ca 0.00 0.03 -0.30 0.00 -0.04 0.00 0.00 63.50 63.18 1ncg n PRO 16 Cb 0.00 -1.65 -0.16 0.00 -0.04 0.00 0.00 33.50 31.66 1ncg n PRO 16 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ncg s PHE 17 N -2.15 2.25 0.43 0.54 0.08 -1.26 -3.65 117.98 114.22 1ncg s PHE 17 Ca 0.56 -0.42 -0.25 0.00 0.12 0.00 0.00 56.93 56.94 1ncg s PHE 17 Cb -0.26 -1.43 -0.09 0.00 -0.57 0.00 0.00 43.02 40.67 1ncg s PHE 17 CO 0.67 0.00 1.31 -2.30 -0.10 0.00 0.00 175.22 174.80 1ncg n PRO 18 N 2.29 2.00 -3.92 0.24 -0.02 -1.26 -5.05 135.00 129.29 1ncg n PRO 18 Ca -0.16 0.71 -0.35 0.00 -2.02 0.00 0.00 63.50 61.68 1ncg n PRO 18 Cb 0.51 -2.44 -0.14 0.00 -0.02 0.00 0.00 33.50 31.42 1ncg n PRO 18 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ncg s GLN 19 N -2.26 2.40 0.08 -0.52 0.74 0.37 -4.93 119.66 115.53 1ncg s GLN 19 Ca 0.61 -1.29 -0.32 0.00 0.05 0.00 0.00 55.36 54.41 1ncg s GLN 19 Cb -0.49 -3.17 -0.11 0.00 1.10 0.00 0.00 33.01 30.34 1ncg s GLN 19 CO 0.58 -0.63 1.82 -1.91 -0.55 0.00 0.00 175.29 174.60 1ncg n GLU 20 N 4.60 2.58 -0.03 1.67 2.13 -1.26 -1.19 120.64 129.14 1ncg n GLU 20 Ca -0.13 0.94 -0.04 0.00 0.66 0.00 0.00 57.16 58.59 1ncg n GLU 20 Cb 0.43 -2.81 -0.01 0.00 0.27 0.00 0.00 31.44 29.32 1ncg n GLU 20 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ncg n LEU 21 N 5.72 0.87 -3.61 4.31 4.77 0.98 -4.93 117.00 125.11 1ncg n LEU 21 Ca 0.19 0.15 -0.16 0.00 -0.03 0.00 0.00 56.01 56.16 1ncg n LEU 21 Cb 0.35 -0.56 -0.07 0.00 -2.33 0.00 0.00 43.42 40.81 1ncg n LEU 21 CO 0.67 -0.42 0.35 0.54 -1.33 0.00 0.00 177.39 177.20 1ncg s VAL 22 N -1.85 0.01 -0.04 4.08 0.11 -1.12 -5.02 120.40 116.57 1ncg s VAL 22 Ca -0.12 -0.06 -0.28 0.00 -2.93 0.00 0.00 61.98 58.59 1ncg s VAL 22 Cb 0.02 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 1ncg s VAL 22 CO 0.18 -0.03 0.90 -0.60 -3.33 0.00 0.00 175.10 172.22 1ncg s ARG 23 N -0.56 4.50 -0.43 1.54 3.52 -1.26 -1.23 118.95 125.02 1ncg s ARG 23 Ca -0.07 1.25 0.04 0.00 -0.13 0.00 0.00 55.73 56.82 1ncg s ARG 23 Cb -0.03 -3.47 0.12 0.00 -1.56 0.00 0.00 34.95 30.01 1ncg s ARG 23 CO 0.05 -0.06 0.16 0.42 -0.81 0.00 0.00 175.30 175.07 1ncg s ILE 24 N 1.12 2.48 0.29 4.11 1.09 0.47 -4.95 121.20 125.82 1ncg s ILE 24 Ca 0.47 -2.84 0.05 0.00 -1.10 0.00 0.00 60.65 57.24 1ncg s ILE 24 Cb -0.20 -2.77 -0.06 0.00 -1.06 0.00 0.00 42.46 38.38 1ncg s ILE 24 CO 0.23 -0.70 -0.01 0.00 -0.10 0.00 0.00 174.94 174.36 1ncg s ARG 25 N 0.30 1.57 -0.23 2.79 1.70 -1.26 -4.60 118.95 119.21 1ncg s ARG 25 Ca 0.14 -1.82 -0.07 0.00 -0.47 0.00 0.00 55.73 53.51 1ncg s ARG 25 Cb -0.23 -1.00 -0.03 0.00 -0.57 0.00 0.00 34.95 33.13 1ncg s ARG 25 CO -0.04 -0.06 0.06 0.45 -1.08 0.00 0.00 175.30 174.62 1ncg s SER 26 N -3.45 5.17 0.46 -2.89 0.15 -1.26 -4.98 113.70 106.91 1ncg s SER 26 Ca 0.32 -0.15 0.31 0.00 0.70 0.00 0.00 55.95 57.13 1ncg s SER 26 Cb 0.06 -1.91 1.42 0.00 -1.71 0.00 0.00 66.02 63.88 1ncg s SER 26 CO 0.13 0.02 1.68 1.23 1.20 0.00 0.00 173.24 177.50 1ncg h GLY 27 N 7.81 0.87 2.00 9.45 0.00 -2.02 0.14 103.07 121.31 1ncg h GLY 27 Ca -0.37 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1ncg h GLY 27 CO 0.60 -0.21 0.00 -0.96 0.00 0.00 0.00 176.54 175.97 1ncg n ARG 28 N -4.48 0.10 0.24 4.80 1.85 -1.26 -3.14 116.66 114.77 1ncg n ARG 28 Ca 0.33 0.39 0.16 0.00 -1.00 0.00 0.00 57.85 57.74 1ncg n ARG 28 Cb 1.36 -1.70 0.79 0.00 -1.05 0.00 0.00 32.46 31.85 1ncg n ARG 28 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 1ncg h ASP 29 N 0.00 0.00 0.19 2.89 2.03 -0.85 -2.22 116.42 118.46 1ncg h ASP 29 Ca 0.00 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.20 1ncg h ASP 29 Cb 0.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.74 1ncg h ASP 29 CO 0.00 0.00 -0.38 0.07 -1.03 0.00 0.00 179.24 177.90 1ncg h LYS 30 N 0.00 0.27 -0.24 4.15 2.10 -1.76 -3.14 116.57 117.95 1ncg h LYS 30 Ca 0.00 -0.12 -0.19 0.00 -2.00 0.00 0.00 60.65 58.34 1ncg h LYS 30 Cb 0.21 -0.01 -0.18 0.00 -0.90 0.00 0.00 32.23 31.35 1ncg h LYS 30 CO 0.00 0.62 -0.68 0.27 -2.00 0.00 0.00 179.45 177.66 1ncg n ASN 31 N -4.05 2.57 -3.19 7.07 6.94 -0.87 -4.93 115.26 118.80 1ncg n ASN 31 Ca -0.01 -3.58 0.05 0.00 -0.02 0.00 0.00 54.58 51.02 1ncg n ASN 31 Cb 0.46 -0.45 -0.02 0.00 -2.36 0.00 0.00 39.78 37.41 1ncg n ASN 31 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1ncg s LEU 32 N -3.05 -0.36 -0.17 -4.53 2.96 -0.97 -5.10 118.68 107.45 1ncg s LEU 32 Ca 0.41 0.30 -0.34 0.00 -0.22 0.00 0.00 54.13 54.28 1ncg s LEU 32 Cb 0.38 1.33 -0.11 0.00 0.50 0.00 0.00 46.19 48.30 1ncg s LEU 32 CO -0.05 -0.07 2.00 -0.24 -1.32 0.00 0.00 176.35 176.67 1ncg n SER 33 N 5.27 3.11 -4.48 3.68 2.88 -1.26 -4.06 113.62 118.76 1ncg n SER 33 Ca -0.08 0.74 -0.25 0.00 -1.33 0.00 0.00 58.87 57.95 1ncg n SER 33 Cb 0.54 -1.37 -0.10 0.00 -0.75 0.00 0.00 64.21 62.53 1ncg n SER 33 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1ncg s LEU 34 N 5.42 2.63 -0.07 2.46 1.43 -1.26 -4.18 118.68 125.11 1ncg s LEU 34 Ca 0.98 -0.91 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1ncg s LEU 34 Cb -0.69 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1ncg s LEU 34 CO 0.49 0.07 -0.15 -0.60 0.23 0.00 0.00 176.35 176.39 1ncg s ARG 35 N -3.22 1.99 -0.03 1.70 3.00 0.49 -4.72 118.95 118.15 1ncg s ARG 35 Ca 0.27 -0.51 -0.01 0.00 -1.00 0.00 0.00 55.73 54.48 1ncg s ARG 35 Cb -0.06 -1.61 -0.04 0.00 0.00 0.00 0.00 34.95 33.25 1ncg s ARG 35 CO 0.14 0.06 0.03 0.71 0.00 0.00 0.00 175.30 176.24 1ncg s TYR 36 N 0.61 3.20 0.10 5.12 2.02 0.52 -1.35 117.35 127.57 1ncg s TYR 36 Ca -0.15 0.18 -0.05 0.00 -0.37 0.00 0.00 57.07 56.68 1ncg s TYR 36 Cb -0.16 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1ncg s TYR 36 CO 0.05 0.51 0.11 -1.54 -1.57 0.00 0.00 175.55 173.10 1ncg s SER 37 N -1.38 0.26 0.04 2.29 1.04 -0.97 -4.05 113.70 110.94 1ncg s SER 37 Ca 0.18 -0.93 0.04 0.00 0.48 0.00 0.00 55.95 55.73 1ncg s SER 37 Cb -0.12 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 1ncg s SER 37 CO 0.09 -0.72 -0.13 0.68 0.98 0.00 0.00 173.24 174.14 1ncg s VAL 38 N -3.94 0.99 0.10 5.02 -7.23 -1.26 -0.97 120.40 113.11 1ncg s VAL 38 Ca 0.12 -0.98 0.01 0.00 -1.81 0.00 0.00 61.98 59.32 1ncg s VAL 38 Cb 0.06 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 1ncg s VAL 38 CO -0.06 -0.06 -0.04 0.42 -0.31 0.00 0.00 175.10 175.06 1ncg s THR 39 N -0.90 0.51 0.00 5.32 -4.23 -0.05 -4.51 115.64 111.78 1ncg s THR 39 Ca -0.00 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1ncg s THR 39 Cb -0.08 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 72.03 1ncg s THR 39 CO 0.01 -0.82 0.00 0.61 -0.54 0.00 0.00 174.62 173.88 1ncg n GLY 40 N -0.03 2.12 3.68 3.99 0.00 -1.26 -1.17 105.19 112.52 1ncg n GLY 40 Ca -0.11 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 1ncg n GLY 40 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ncg s PRO 41 N -1.87 4.15 0.00 1.61 0.02 -1.26 -0.45 135.00 137.20 1ncg s PRO 41 Ca 0.00 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.57 1ncg s PRO 41 Cb 0.00 -3.78 0.00 0.00 0.02 0.00 0.00 34.50 30.74 1ncg s PRO 41 CO 0.00 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 1ncg n GLY 42 N 4.29 0.87 0.28 0.52 0.00 0.11 -4.44 105.19 106.83 1ncg n GLY 42 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ncg n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ncg n ALA 43 N -1.35 2.26 -0.52 4.61 0.00 0.41 -0.51 120.51 125.41 1ncg n ALA 43 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1ncg n ALA 43 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1ncg n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ncg n ASP 44 N -1.39 2.53 -3.97 0.00 5.75 -0.45 -1.26 116.55 117.76 1ncg n ASP 44 Ca 0.00 -2.50 -0.09 0.00 -0.01 0.00 0.00 54.79 52.19 1ncg n ASP 44 Cb 0.00 -0.25 -0.11 0.00 -1.03 0.00 0.00 41.12 39.73 1ncg n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1ncg s GLN 45 N -1.87 0.35 0.15 0.11 -0.21 -1.08 -4.87 119.66 112.24 1ncg s GLN 45 Ca 0.20 -0.60 -0.34 0.00 0.02 0.00 0.00 55.36 54.63 1ncg s GLN 45 Cb 0.16 0.13 -0.15 0.00 1.00 0.00 0.00 33.01 34.15 1ncg s GLN 45 CO 0.05 -0.06 1.46 -2.30 -2.12 0.00 0.00 175.29 172.32 1ncg n PRO 46 N 1.51 1.78 -2.80 2.91 -0.02 -1.26 -1.67 135.00 135.45 1ncg n PRO 46 Ca -0.23 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 1ncg n PRO 46 Cb 0.55 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 1ncg n PRO 46 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ncg s PRO 47 N 0.56 4.61 0.25 0.52 0.04 -1.26 -4.18 135.00 135.54 1ncg s PRO 47 Ca 0.79 1.33 -0.25 0.00 0.04 0.00 0.00 61.00 62.91 1ncg s PRO 47 Cb -0.77 -3.40 -0.09 0.00 0.04 0.00 0.00 34.50 30.28 1ncg s PRO 47 CO 0.43 0.15 0.85 0.99 0.04 0.00 0.00 177.00 179.46 1ncg s THR 48 N 0.29 4.33 -0.82 1.26 2.01 -1.16 0.09 115.64 121.64 1ncg s THR 48 Ca 0.46 1.68 0.00 0.00 0.31 0.00 0.00 61.69 64.14 1ncg s THR 48 Cb -0.22 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.26 1ncg s THR 48 CO 0.27 0.29 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 1ncg n GLY 49 N 0.94 0.94 0.19 4.40 0.00 -0.39 -4.87 105.19 106.41 1ncg n GLY 49 Ca -0.01 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.68 1ncg n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ncg h ILE 50 N 0.00 0.23 -3.73 -0.61 6.09 -0.97 -3.41 117.51 115.11 1ncg h ILE 50 Ca -0.16 -1.33 -0.42 0.00 -1.37 0.00 0.00 64.86 61.58 1ncg h ILE 50 Cb 0.63 2.09 -0.31 0.00 0.47 0.00 0.00 36.82 39.69 1ncg h ILE 50 CO 0.23 0.13 -0.78 -0.36 -3.07 0.00 0.00 178.15 174.30 1ncg s PHE 51 N -3.15 0.89 0.17 2.19 0.08 0.18 -0.33 117.98 118.01 1ncg s PHE 51 Ca 0.06 -0.23 0.07 0.00 0.12 0.00 0.00 56.93 56.95 1ncg s PHE 51 Cb 0.06 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.80 1ncg s PHE 51 CO 0.70 -0.12 -0.15 0.96 -0.10 0.00 0.00 175.22 176.51 1ncg s ILE 52 N 0.34 1.62 -0.06 0.64 -4.36 -0.57 -4.52 121.20 114.29 1ncg s ILE 52 Ca -0.05 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.33 1ncg s ILE 52 Cb -0.10 -1.87 0.02 0.00 1.25 0.00 0.00 42.46 41.76 1ncg s ILE 52 CO 0.01 -0.50 -0.09 -0.51 0.24 0.00 0.00 174.94 174.09 1ncg s ILE 53 N -2.60 0.89 0.07 8.37 2.07 -1.26 -1.05 121.20 127.69 1ncg s ILE 53 Ca 0.17 -0.32 -0.31 0.00 -1.41 0.00 0.00 60.65 58.79 1ncg s ILE 53 Cb -0.03 -0.86 -0.07 0.00 0.13 0.00 0.00 42.46 41.63 1ncg s ILE 53 CO 0.05 0.31 1.50 0.21 -1.91 0.00 0.00 174.94 175.10 1ncg s ASN 54 N 0.92 6.73 0.37 4.50 3.84 0.03 -4.85 114.94 126.49 1ncg s ASN 54 Ca -0.10 2.34 0.11 0.00 0.21 0.00 0.00 52.86 55.42 1ncg s ASN 54 Cb -0.15 -2.57 0.89 0.00 -0.55 0.00 0.00 41.25 38.87 1ncg s ASN 54 CO 0.01 -0.77 1.88 -0.65 -2.79 0.00 0.00 177.10 174.78 1ncg h PRO 55 N 7.63 0.60 0.00 0.43 0.11 -1.91 -1.10 132.00 137.76 1ncg h PRO 55 Ca -0.41 -0.04 -0.38 0.00 0.11 0.00 0.00 66.00 65.29 1ncg h PRO 55 Cb 1.20 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.10 1ncg h PRO 55 CO 0.90 0.39 -2.41 0.44 -0.21 0.00 0.00 178.00 177.12 1ncg n ILE 56 N -4.54 1.43 0.03 4.15 -0.00 -1.26 -0.35 119.36 118.81 1ncg n ILE 56 Ca 0.17 -0.76 -0.10 0.00 -0.00 0.00 0.00 62.75 62.06 1ncg n ILE 56 Cb 0.50 -0.81 -0.13 0.00 -0.00 0.00 0.00 39.64 39.19 1ncg n ILE 56 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 1ncg h SER 57 N 0.00 0.11 0.00 7.28 4.64 -1.94 -3.47 113.55 120.17 1ncg h SER 57 Ca -0.56 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 1ncg h SER 57 Cb 2.12 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 64.18 1ncg h SER 57 CO -0.01 1.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.70 1ncg n GLY 58 N 1.53 0.58 3.64 -0.77 0.00 -0.42 -4.68 105.19 105.07 1ncg n GLY 58 Ca -0.12 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1ncg n GLY 58 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ncg s GLN 59 N -0.42 3.96 -0.08 1.61 2.00 -1.25 -0.40 119.66 125.08 1ncg s GLN 59 Ca 0.00 1.52 -0.14 0.00 -2.00 0.00 0.00 55.36 54.73 1ncg s GLN 59 Cb 0.00 -3.91 -0.05 0.00 0.80 0.00 0.00 33.01 29.85 1ncg s GLN 59 CO 0.00 -1.07 0.36 -1.17 -0.50 0.00 0.00 175.29 172.91 1ncg s LEU 60 N 4.43 4.36 0.14 3.68 2.96 -0.36 -0.79 118.68 133.11 1ncg s LEU 60 Ca 0.62 0.75 0.05 0.00 -0.22 0.00 0.00 54.13 55.33 1ncg s LEU 60 Cb -0.21 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 1ncg s LEU 60 CO 0.24 0.21 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.92 1ncg s SER 61 N -0.30 1.89 -0.05 3.68 0.01 -0.21 -0.02 113.70 118.70 1ncg s SER 61 Ca 0.21 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.51 1ncg s SER 61 Cb -0.15 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.02 1ncg s SER 61 CO 0.09 -0.28 -0.01 0.54 0.41 0.00 0.00 173.24 173.99 1ncg s VAL 62 N -3.01 4.14 -0.87 3.43 0.11 -0.33 -1.51 120.40 122.35 1ncg s VAL 62 Ca 0.15 -0.44 0.22 0.00 -2.93 0.00 0.00 61.98 58.99 1ncg s VAL 62 Cb 0.00 -2.78 -0.18 0.00 -1.53 0.00 0.00 36.38 31.90 1ncg s VAL 62 CO 0.02 0.51 0.98 0.35 -3.33 0.00 0.00 175.10 173.63 1ncg n THR 63 N 1.84 0.02 -3.83 5.04 -2.24 0.55 -0.48 114.28 115.19 1ncg n THR 63 Ca -0.17 -0.07 -0.07 0.00 -2.27 0.00 0.00 64.05 61.47 1ncg n THR 63 Cb 0.53 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1ncg n THR 63 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1ncg s LYS 64 N -3.07 1.91 0.46 -0.78 -2.85 -1.26 -4.60 119.74 109.55 1ncg s LYS 64 Ca 0.07 -1.15 -0.22 0.00 -1.00 0.00 0.00 55.97 53.67 1ncg s LYS 64 Cb 0.16 0.59 -0.08 0.00 -2.06 0.00 0.00 37.83 36.44 1ncg s LYS 64 CO 0.83 -0.88 1.10 -1.25 0.10 0.00 0.00 175.35 175.25 1ncg s PRO 65 N -3.10 3.80 0.53 1.78 0.04 -1.26 -4.95 135.00 131.84 1ncg s PRO 65 Ca 0.14 1.59 0.04 0.00 0.04 0.00 0.00 61.00 62.81 1ncg s PRO 65 Cb -0.05 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 32.23 1ncg s PRO 65 CO 0.08 -0.48 0.74 -0.51 0.04 0.00 0.00 177.00 176.88 1ncg s LEU 66 N -3.16 3.34 -0.21 -3.56 1.43 -1.26 -4.84 118.68 110.41 1ncg s LEU 66 Ca 0.65 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 53.44 1ncg s LEU 66 Cb -0.23 -2.57 0.09 0.00 0.03 0.00 0.00 46.19 43.51 1ncg s LEU 66 CO 0.28 -1.14 0.21 -0.62 0.23 0.00 0.00 176.35 175.32 1ncg s ASP 67 N -4.47 1.56 0.47 2.29 -1.08 -1.26 -1.67 116.67 112.52 1ncg s ASP 67 Ca 0.58 -0.33 0.23 0.00 -0.52 0.00 0.00 52.55 52.51 1ncg s ASP 67 Cb -0.09 0.31 1.17 0.00 -1.46 0.00 0.00 42.92 42.85 1ncg s ASP 67 CO 0.38 -0.34 1.96 0.08 0.52 0.00 0.00 175.17 177.77 1ncg h ARG 68 N 8.32 0.00 0.00 4.34 0.11 -1.86 -0.89 114.38 124.40 1ncg h ARG 68 Ca -0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.91 1ncg h ARG 68 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1ncg h ARG 68 CO 0.29 0.20 0.00 0.39 0.10 0.00 0.00 179.97 180.95 1ncg n GLU 69 N -3.68 0.14 -0.09 0.08 4.71 -1.26 -3.38 120.64 117.15 1ncg n GLU 69 Ca -0.01 0.29 -0.17 0.00 -0.01 0.00 0.00 57.16 57.26 1ncg n GLU 69 Cb 0.32 -1.72 -0.06 0.00 -1.01 0.00 0.00 31.44 28.97 1ncg n GLU 69 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1ncg n LEU 70 N -1.97 1.52 -3.74 -4.62 4.77 -0.42 -4.95 117.00 107.58 1ncg n LEU 70 Ca 0.04 0.26 -0.24 0.00 -0.03 0.00 0.00 56.01 56.03 1ncg n LEU 70 Cb 0.26 -0.61 -0.17 0.00 -2.33 0.00 0.00 43.42 40.57 1ncg n LEU 70 CO 0.21 0.16 -0.37 -0.63 -1.33 0.00 0.00 177.39 175.43 1ncg s ILE 71 N -2.46 0.35 -0.34 -0.08 1.01 -0.72 -5.02 121.20 113.94 1ncg s ILE 71 Ca -0.26 -0.06 0.23 0.00 0.00 0.00 0.00 60.65 60.56 1ncg s ILE 71 Cb 0.08 -0.64 -0.07 0.00 0.01 0.00 0.00 42.46 41.84 1ncg s ILE 71 CO 0.34 0.10 0.99 0.00 0.00 0.00 0.00 174.94 176.37 1ncg n ALA 72 N 5.14 2.80 -3.17 9.38 0.00 -1.22 -4.25 120.51 129.20 1ncg n ALA 72 Ca -0.07 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 52.93 1ncg n ALA 72 Cb 0.49 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.80 1ncg n ALA 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ncg s ARG 73 N -3.33 0.40 0.04 0.00 6.06 -1.26 -1.08 118.95 119.79 1ncg s ARG 73 Ca 0.00 0.20 0.08 0.00 -2.50 0.00 0.00 55.73 53.50 1ncg s ARG 73 Cb 0.12 0.19 -0.03 0.00 0.06 0.00 0.00 34.95 35.29 1ncg s ARG 73 CO 0.80 -0.07 -0.22 -0.06 -2.50 0.00 0.00 175.30 173.25 1ncg s PHE 74 N -0.28 1.92 -0.17 5.12 0.40 0.39 -4.98 117.98 120.37 1ncg s PHE 74 Ca -0.04 -0.38 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1ncg s PHE 74 Cb -0.03 -1.14 0.05 0.00 0.51 0.00 0.00 43.02 42.41 1ncg s PHE 74 CO 0.01 0.10 0.02 -1.01 0.70 0.00 0.00 175.22 175.04 1ncg s HIS 75 N -0.81 1.11 0.40 0.36 3.76 -1.26 -1.04 115.29 117.82 1ncg s HIS 75 Ca 0.08 -0.82 0.07 0.00 -0.15 0.00 0.00 55.06 54.24 1ncg s HIS 75 Cb -0.09 -1.05 -0.08 0.00 1.11 0.00 0.00 32.58 32.47 1ncg s HIS 75 CO 0.02 -0.58 -0.01 -0.51 -0.85 0.00 0.00 174.74 172.82 1ncg s LEU 76 N 1.83 2.86 -0.02 0.89 1.43 -0.05 -4.10 118.68 121.51 1ncg s LEU 76 Ca -0.00 -1.34 0.02 0.00 -1.03 0.00 0.00 54.13 51.77 1ncg s LEU 76 Cb -0.16 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.15 1ncg s LEU 76 CO -0.07 -0.41 -0.06 -0.13 0.23 0.00 0.00 176.35 175.90 1ncg s ARG 77 N -3.70 0.73 0.10 1.70 1.81 -0.32 -0.01 118.95 119.27 1ncg s ARG 77 Ca 0.35 -0.19 0.01 0.00 -1.72 0.00 0.00 55.73 54.18 1ncg s ARG 77 Cb 0.09 -0.72 -0.04 0.00 -0.45 0.00 0.00 34.95 33.83 1ncg s ARG 77 CO 0.18 0.04 0.25 0.00 -0.68 0.00 0.00 175.30 175.09 1ncg s ALA 78 N 0.36 3.99 0.05 2.13 0.00 -0.24 -0.87 121.76 127.18 1ncg s ALA 78 Ca -0.05 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1ncg s ALA 78 Cb -0.09 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 1ncg s ALA 78 CO 0.00 0.69 -0.07 -1.01 0.00 0.00 0.00 175.76 175.36 1ncg s HIS 79 N -1.63 0.70 -0.05 0.00 0.09 -0.14 -1.47 115.29 112.78 1ncg s HIS 79 Ca 0.35 -0.60 0.00 0.00 -0.00 0.00 0.00 55.06 54.81 1ncg s HIS 79 Cb -0.12 -0.42 0.02 0.00 -0.00 0.00 0.00 32.58 32.07 1ncg s HIS 79 CO 0.28 -0.11 -0.02 0.00 -0.00 0.00 0.00 174.74 174.89 1ncg s ALA 80 N -1.88 0.63 0.06 -1.40 0.00 -1.26 -2.28 121.76 115.63 1ncg s ALA 80 Ca -0.06 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.90 1ncg s ALA 80 Cb -0.07 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1ncg s ALA 80 CO -0.01 -0.18 -0.13 0.08 0.00 0.00 0.00 175.76 175.52 1ncg s VAL 81 N 1.30 1.00 0.57 0.00 1.01 -0.45 -0.27 120.40 123.55 1ncg s VAL 81 Ca -0.05 -1.15 -0.07 0.00 0.00 0.00 0.00 61.98 60.71 1ncg s VAL 81 Cb -0.13 -0.96 0.13 0.00 0.00 0.00 0.00 36.38 35.41 1ncg s VAL 81 CO -0.02 -0.17 0.77 -0.90 0.00 0.00 0.00 175.10 174.77 1ncg n ASP 82 N 1.53 0.31 0.21 3.32 5.68 0.51 -0.38 116.55 127.73 1ncg n ASP 82 Ca -0.20 -1.43 0.18 0.00 -0.50 0.00 0.00 54.79 52.84 1ncg n ASP 82 Cb 0.54 -0.57 0.81 0.00 -1.14 0.00 0.00 41.12 40.77 1ncg n ASP 82 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1ncg h ILE 83 N -1.19 0.25 -0.50 2.12 2.10 -1.90 0.11 117.51 118.50 1ncg h ILE 83 Ca -0.25 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.69 1ncg h ILE 83 Cb 0.75 0.71 0.00 0.00 -1.09 0.00 0.00 36.82 37.19 1ncg h ILE 83 CO 0.20 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.86 1ncg n ASN 84 N -3.43 3.34 0.00 2.19 5.03 -1.26 -4.96 115.26 116.17 1ncg n ASN 84 Ca 0.03 -2.00 0.00 0.00 0.87 0.00 0.00 54.58 53.48 1ncg n ASN 84 Cb 0.46 -0.33 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1ncg n ASN 84 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ncg n GLY 85 N 0.97 0.81 3.73 7.41 0.00 0.36 -5.03 105.19 113.44 1ncg n GLY 85 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1ncg n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ncg s ASN 86 N -2.82 6.99 0.01 1.61 0.01 -1.26 -4.68 114.94 114.80 1ncg s ASN 86 Ca 0.00 2.28 -0.30 0.00 -0.71 0.00 0.00 52.86 54.13 1ncg s ASN 86 Cb 0.00 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 1ncg s ASN 86 CO 0.00 -0.47 1.32 -1.10 -1.51 0.00 0.00 177.10 175.34 1ncg s GLN 87 N 0.11 4.33 0.03 -0.60 -0.21 -1.26 -0.36 119.66 121.70 1ncg s GLN 87 Ca 0.56 1.88 0.28 0.00 0.02 0.00 0.00 55.36 58.09 1ncg s GLN 87 Cb -0.34 -3.49 0.98 0.00 1.00 0.00 0.00 33.01 31.15 1ncg s GLN 87 CO 0.36 -0.48 1.76 1.33 -2.12 0.00 0.00 175.29 176.14 1ncg n VAL 88 N 4.45 0.08 -3.64 1.09 0.24 0.63 -4.91 118.33 116.26 1ncg n VAL 88 Ca 0.12 -0.04 -0.04 0.00 -2.04 0.00 0.00 64.34 62.33 1ncg n VAL 88 Cb 0.45 -0.31 -0.01 0.00 -1.47 0.00 0.00 33.84 32.49 1ncg n VAL 88 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1ncg s GLU 89 N -3.02 0.89 0.61 7.34 -1.05 -1.26 -5.10 118.70 117.11 1ncg s GLU 89 Ca 0.13 -0.44 -0.19 0.00 -0.15 0.00 0.00 54.97 54.32 1ncg s GLU 89 Cb 0.18 0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 34.17 1ncg s GLU 89 CO 0.59 -0.40 1.24 0.09 0.95 0.00 0.00 175.26 177.73 1ncg n ASN 90 N -0.37 1.97 -4.77 0.83 5.03 -1.26 -4.65 115.26 112.03 1ncg n ASN 90 Ca -0.07 0.87 -0.36 0.00 0.87 0.00 0.00 54.58 55.89 1ncg n ASN 90 Cb 0.61 -1.52 -0.01 0.00 -1.02 0.00 0.00 39.78 37.84 1ncg n ASN 90 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1ncg s PRO 91 N -3.08 3.68 -0.17 3.52 0.04 -1.26 -4.90 135.00 132.82 1ncg s PRO 91 Ca 0.78 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 63.38 1ncg s PRO 91 Cb -0.40 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.80 1ncg s PRO 91 CO 0.44 -0.60 0.27 -1.50 0.04 0.00 0.00 177.00 175.66 1ncg s ILE 92 N -1.63 5.32 0.34 0.56 1.10 -0.54 -4.88 121.20 121.46 1ncg s ILE 92 Ca 0.66 0.50 -0.26 0.00 -0.51 0.00 0.00 60.65 61.03 1ncg s ILE 92 Cb -0.26 -3.61 -0.09 0.00 0.15 0.00 0.00 42.46 38.64 1ncg s ILE 92 CO 0.31 0.38 1.02 -1.81 -2.11 0.00 0.00 174.94 172.73 1ncg s ASP 93 N 0.52 7.10 -0.08 4.50 1.01 -1.26 -1.08 116.67 127.38 1ncg s ASP 93 Ca 0.15 2.00 0.01 0.00 0.71 0.00 0.00 52.55 55.42 1ncg s ASP 93 Cb -0.13 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.23 1ncg s ASP 93 CO 0.03 -0.25 -0.09 -0.63 0.21 0.00 0.00 175.17 174.44 1ncg s ILE 94 N -1.53 0.99 -0.15 0.77 1.01 0.98 -4.51 121.20 118.76 1ncg s ILE 94 Ca 0.52 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.83 1ncg s ILE 94 Cb -0.23 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1ncg s ILE 94 CO 0.29 0.34 -0.12 -0.69 0.00 0.00 0.00 174.94 174.76 1ncg s VAL 95 N 1.17 2.97 -0.19 2.92 1.01 -1.26 -0.87 120.40 126.16 1ncg s VAL 95 Ca -0.05 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1ncg s VAL 95 Cb -0.14 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.00 1ncg s VAL 95 CO -0.02 0.50 -0.14 -0.63 0.00 0.00 0.00 175.10 174.81 1ncg s ILE 96 N 0.71 1.81 -0.15 2.22 1.01 -0.20 0.01 121.20 126.61 1ncg s ILE 96 Ca -0.06 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.56 1ncg s ILE 96 Cb -0.15 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1ncg s ILE 96 CO 0.02 0.34 0.12 0.20 0.00 0.00 0.00 174.94 175.62 1ncg s ASN 97 N 1.36 6.20 -0.28 3.58 0.01 -0.41 -0.46 114.94 124.93 1ncg s ASN 97 Ca 0.02 0.34 -0.14 0.00 -0.71 0.00 0.00 52.86 52.37 1ncg s ASN 97 Cb -0.15 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 1ncg s ASN 97 CO -0.10 0.31 0.31 -0.69 -1.51 0.00 0.00 177.10 175.42 1ncg s VAL 98 N -0.43 5.22 -1.39 1.60 1.01 -0.24 0.12 120.40 126.29 1ncg s VAL 98 Ca 0.12 0.41 0.11 0.00 0.00 0.00 0.00 61.98 62.61 1ncg s VAL 98 Cb -0.12 -3.65 0.09 0.00 0.00 0.00 0.00 36.38 32.70 1ncg s VAL 98 CO 0.02 0.17 0.85 2.30 0.00 0.00 0.00 175.10 178.44