#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcp n ASP 2 N 0.00 2.75 -4.70 1.61 8.00 -1.26 -4.95 116.55 118.00 2kcp n ASP 2 Ca 0.00 -1.88 -0.42 0.00 0.71 0.00 0.00 54.79 53.20 2kcp n ASP 2 Cb 0.00 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 2kcp n ASP 2 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2kcp s ARG 3 N -2.12 4.48 -0.39 -1.24 3.00 -1.26 -5.02 118.95 116.41 2kcp s ARG 3 Ca 0.26 1.46 -0.13 0.00 0.00 0.00 0.00 55.73 57.31 2kcp s ARG 3 Cb 0.20 -3.49 0.02 0.00 0.00 0.00 0.00 34.95 31.68 2kcp s ARG 3 CO 0.37 -0.20 0.26 -0.98 0.00 0.00 0.00 175.30 174.75 2kcp s ARG 4 N 1.47 2.97 0.00 3.54 3.03 -1.26 -4.98 118.95 123.73 2kcp s ARG 4 Ca 0.52 -1.00 -0.02 0.00 2.03 0.00 0.00 55.73 57.26 2kcp s ARG 4 Cb -0.21 -3.87 -0.08 0.00 -1.03 0.00 0.00 34.95 29.77 2kcp s ARG 4 CO 0.24 -0.70 2.38 1.33 -1.13 0.00 0.00 175.30 177.43 2kcp n VAL 5 N 5.09 2.20 -3.16 4.99 0.24 -1.26 -4.57 118.33 121.87 2kcp n VAL 5 Ca -0.11 -0.76 0.03 0.00 -2.04 0.00 0.00 64.34 61.45 2kcp n VAL 5 Cb 0.47 -1.63 -0.00 0.00 -1.47 0.00 0.00 33.84 31.21 2kcp n VAL 5 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kcp s ARG 6 N 0.38 0.58 0.00 7.34 1.70 -1.26 -5.00 118.95 122.69 2kcp s ARG 6 Ca 0.19 0.44 0.19 0.00 -0.47 0.00 0.00 55.73 56.08 2kcp s ARG 6 Cb 0.09 0.20 0.13 0.00 -0.57 0.00 0.00 34.95 34.81 2kcp s ARG 6 CO 0.00 -1.06 1.09 1.28 -1.08 0.00 0.00 175.30 175.52 2kcp n LEU 7 N 5.31 2.51 -4.73 -1.89 4.32 -1.26 -4.98 117.00 116.27 2kcp n LEU 7 Ca 0.05 -0.97 -0.41 0.00 -0.02 0.00 0.00 56.01 54.66 2kcp n LEU 7 Cb 0.54 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.31 2kcp n LEU 7 CO -0.05 0.44 0.89 -0.51 -1.22 0.00 0.00 177.39 176.94 2kcp s ILE 8 N -1.65 3.62 -0.07 -0.08 -1.16 -1.26 -5.04 121.20 115.56 2kcp s ILE 8 Ca 0.22 1.32 0.03 0.00 -0.51 0.00 0.00 60.65 61.71 2kcp s ILE 8 Cb 0.16 -3.84 0.01 0.00 0.61 0.00 0.00 42.46 39.39 2kcp s ILE 8 CO 0.26 0.19 -0.15 -0.13 -2.81 0.00 0.00 174.94 172.30 2kcp s ARG 9 N 0.02 1.96 0.12 3.50 1.81 -1.26 -5.14 118.95 119.96 2kcp s ARG 9 Ca 0.54 -0.52 -0.04 0.00 -1.72 0.00 0.00 55.73 53.99 2kcp s ARG 9 Cb -0.32 -1.58 -0.03 0.00 -0.45 0.00 0.00 34.95 32.57 2kcp s ARG 9 CO 0.35 0.08 0.12 -0.08 -0.68 0.00 0.00 175.30 175.09 2kcp s THR 10 N 0.54 0.12 -0.30 0.02 -1.32 -1.26 -5.17 115.64 108.27 2kcp s THR 10 Ca -0.14 -1.64 -0.08 0.00 -1.21 0.00 0.00 61.69 58.62 2kcp s THR 10 Cb -0.16 -1.79 0.16 0.00 -1.51 0.00 0.00 72.50 69.20 2kcp s THR 10 CO 0.05 -0.54 0.71 -0.60 -2.21 0.00 0.00 174.62 172.02 2kcp s ARG 11 N -3.98 0.51 -0.48 7.08 3.52 -1.26 -5.12 118.95 119.22 2kcp s ARG 11 Ca 0.16 1.12 -0.02 0.00 -0.13 0.00 0.00 55.73 56.86 2kcp s ARG 11 Cb 0.06 0.66 0.13 0.00 -1.56 0.00 0.00 34.95 34.23 2kcp s ARG 11 CO -0.03 -0.34 0.27 0.20 -0.81 0.00 0.00 175.30 174.60 2kcp s GLY 12 N 2.83 2.19 0.00 8.12 0.00 -1.26 -5.03 107.32 114.17 2kcp s GLY 12 Ca 0.05 -2.83 0.00 0.00 0.00 0.00 0.00 44.72 41.94 2kcp s GLY 12 CO -0.19 1.04 0.00 0.61 0.00 0.00 0.00 173.10 174.57 2kcp n GLY 13 N 4.10 2.82 3.67 0.20 0.00 -1.26 -5.13 105.19 109.59 2kcp n GLY 13 Ca 0.02 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 2kcp n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kcp s ASN 14 N 2.00 6.90 0.61 1.61 0.02 -1.26 -5.03 114.94 119.79 2kcp s ASN 14 Ca 0.00 1.89 -0.01 0.00 -1.02 0.00 0.00 52.86 53.71 2kcp s ASN 14 Cb 0.00 -2.54 0.05 0.00 0.02 0.00 0.00 41.25 38.78 2kcp s ASN 14 CO 0.00 -0.75 0.87 0.28 0.02 0.00 0.00 177.10 177.51 2kcp s THR 15 N 3.18 2.49 0.43 1.60 -1.32 -1.26 -5.07 115.64 115.70 2kcp s THR 15 Ca 0.60 -0.55 -0.23 0.00 -1.21 0.00 0.00 61.69 60.30 2kcp s THR 15 Cb -0.26 -2.94 -0.08 0.00 -1.51 0.00 0.00 72.50 67.70 2kcp s THR 15 CO 0.21 0.00 1.07 -1.59 -2.21 0.00 0.00 174.62 172.10 2kcp s LYS 16 N -4.94 3.99 0.51 7.08 0.00 -1.26 -5.04 119.74 120.07 2kcp s LYS 16 Ca 0.59 1.54 -0.18 0.00 0.00 0.00 0.00 55.97 57.92 2kcp s LYS 16 Cb -0.10 -2.41 -0.08 0.00 0.00 0.00 0.00 37.83 35.24 2kcp s LYS 16 CO 0.41 -0.30 1.00 0.54 0.00 0.00 0.00 175.35 176.99 2kcp s VAL 17 N -1.70 4.29 0.47 1.79 0.11 -1.26 -4.96 120.40 119.14 2kcp s VAL 17 Ca 0.61 1.20 0.18 0.00 -2.93 0.00 0.00 61.98 61.05 2kcp s VAL 17 Cb -0.22 -3.60 0.35 0.00 -1.53 0.00 0.00 36.38 31.38 2kcp s VAL 17 CO 0.27 -0.52 1.99 0.08 -3.33 0.00 0.00 175.10 173.59 2kcp h ARG 18 N 1.12 0.22 -1.78 1.54 0.11 -1.96 -3.43 114.38 110.21 2kcp h ARG 18 Ca -0.48 -0.01 0.07 0.00 0.10 0.00 0.00 59.98 59.66 2kcp h ARG 18 Cb 1.19 -0.05 -0.23 0.00 1.11 0.00 0.00 29.97 31.99 2kcp h ARG 18 CO 0.60 0.15 0.14 -1.17 0.10 0.00 0.00 179.97 179.79 2kcp s LEU 19 N -9.11 -0.80 -0.62 0.08 0.20 -1.26 -5.00 118.68 102.17 2kcp s LEU 19 Ca -0.07 1.24 0.05 0.00 0.69 0.00 0.00 54.13 56.04 2kcp s LEU 19 Cb 0.20 2.12 0.17 0.00 -0.43 0.00 0.00 46.19 48.24 2kcp s LEU 19 CO 0.74 -0.19 0.45 0.00 -0.29 0.00 0.00 176.35 177.05 2kcp s ALA 20 N 1.74 3.09 0.00 5.97 0.00 -1.26 -4.92 121.76 126.37 2kcp s ALA 20 Ca -0.09 -3.42 0.00 0.00 0.00 0.00 0.00 51.96 48.45 2kcp s ALA 20 Cb -0.05 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2kcp s ALA 20 CO -0.18 -2.06 0.00 0.43 0.00 0.00 0.00 175.76 173.95 2kcp n SER 21 N 2.24 0.00 -4.72 0.00 7.64 -1.26 -4.90 113.62 112.62 2kcp n SER 21 Ca 0.23 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.69 2kcp n SER 21 Cb 0.39 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 2kcp n SER 21 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kcp s ASP 22 N 0.00 7.21 -0.22 6.43 2.15 -1.26 -5.04 116.67 125.95 2kcp s ASP 22 Ca 0.00 1.91 0.02 0.00 0.43 0.00 0.00 52.55 54.90 2kcp s ASP 22 Cb 0.00 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 40.08 2kcp s ASP 22 CO 0.00 -0.35 -0.14 -0.89 -0.17 0.00 0.00 175.17 173.62 2kcp s THR 23 N 0.81 2.02 0.27 1.71 2.01 -1.26 -4.88 115.64 116.32 2kcp s THR 23 Ca 0.55 -1.24 0.10 0.00 0.31 0.00 0.00 61.69 61.41 2kcp s THR 23 Cb -0.27 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 2kcp s THR 23 CO 0.30 0.23 -0.08 -0.13 -0.69 0.00 0.00 174.62 174.25 2kcp s ARG 24 N 1.23 2.06 -0.22 4.92 1.81 -1.26 -1.49 118.95 126.01 2kcp s ARG 24 Ca -0.02 -1.55 -0.15 0.00 -1.72 0.00 0.00 55.73 52.29 2kcp s ARG 24 Cb -0.17 -2.01 0.06 0.00 -0.45 0.00 0.00 34.95 32.39 2kcp s ARG 24 CO -0.09 0.35 0.54 -1.50 -0.68 0.00 0.00 175.30 173.93 2kcp s ILE 25 N -2.39 -0.01 -0.63 1.52 2.07 0.10 -4.55 121.20 117.32 2kcp s ILE 25 Ca 0.31 0.03 -0.27 0.00 -1.41 0.00 0.00 60.65 59.30 2kcp s ILE 25 Cb -0.06 -0.78 0.02 0.00 0.13 0.00 0.00 42.46 41.77 2kcp s ILE 25 CO 0.18 0.01 1.41 0.20 -1.91 0.00 0.00 174.94 174.83 2kcp s ASN 26 N 1.03 6.05 -0.28 4.50 -0.87 0.66 -0.19 114.94 125.84 2kcp s ASN 26 Ca -0.06 0.03 -0.17 0.00 -1.57 0.00 0.00 52.86 51.10 2kcp s ASN 26 Cb -0.06 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.25 38.60 2kcp s ASN 26 CO -0.09 -1.82 0.45 -0.69 -2.57 0.00 0.00 177.10 172.38 2kcp s VAL 27 N 6.25 5.11 -0.34 1.60 1.01 0.62 -1.13 120.40 133.51 2kcp s VAL 27 Ca 0.48 0.65 -0.16 0.00 0.00 0.00 0.00 61.98 62.94 2kcp s VAL 27 Cb -0.10 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2kcp s VAL 27 CO 0.21 0.07 0.43 -0.69 0.00 0.00 0.00 175.10 175.12 2kcp s VAL 28 N 2.21 5.10 -0.24 2.92 1.01 0.61 -0.27 120.40 131.75 2kcp s VAL 28 Ca 0.18 0.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.11 2kcp s VAL 28 Cb -0.16 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2kcp s VAL 28 CO 0.10 -0.13 0.92 -0.62 0.00 0.00 0.00 175.10 175.37 2kcp s ASP 29 N 1.74 6.95 0.38 3.32 2.15 -0.15 -0.68 116.67 130.37 2kcp s ASP 29 Ca 0.15 1.18 0.28 0.00 0.43 0.00 0.00 52.55 54.59 2kcp s ASP 29 Cb -0.16 -2.48 1.08 0.00 -0.30 0.00 0.00 42.92 41.05 2kcp s ASP 29 CO 0.12 -0.59 1.82 1.55 -0.17 0.00 0.00 175.17 177.90 2kcp h PRO 30 N 7.60 0.00 0.13 4.34 0.13 -1.90 0.46 132.00 142.76 2kcp h PRO 30 Ca -0.21 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.70 2kcp h PRO 30 Cb 1.08 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.22 2kcp h PRO 30 CO 0.92 0.00 -1.01 0.93 -0.23 0.00 0.00 178.00 178.62 2kcp h GLU 31 N 0.00 0.27 0.00 0.86 4.39 -1.92 -3.39 114.58 114.80 2kcp h GLU 31 Ca 0.00 -0.47 -0.30 0.00 0.34 0.00 0.00 59.36 58.93 2kcp h GLU 31 Cb 0.50 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.26 2kcp h GLU 31 CO 0.00 1.22 -2.32 0.25 -1.16 0.00 0.00 179.01 177.00 2kcp n THR 32 N -4.07 1.14 -0.89 1.13 -2.24 -1.22 -5.01 114.28 103.12 2kcp n THR 32 Ca -0.18 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 2kcp n THR 32 Cb 0.84 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2kcp n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kcp n GLY 33 N 1.67 0.63 3.83 3.38 0.00 0.16 -5.06 105.19 109.80 2kcp n GLY 33 Ca -0.28 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 2kcp n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kcp s LYS 34 N -1.85 4.10 -0.64 1.61 -2.85 -1.21 -4.84 119.74 114.06 2kcp s LYS 34 Ca 0.00 0.69 -0.10 0.00 -1.00 0.00 0.00 55.97 55.56 2kcp s LYS 34 Cb 0.00 -2.80 0.17 0.00 -2.06 0.00 0.00 37.83 33.13 2kcp s LYS 34 CO 0.00 0.37 0.53 0.08 0.10 0.00 0.00 175.35 176.44 2kcp s VAL 35 N -1.60 4.66 -0.19 1.79 1.01 -1.26 -0.98 120.40 123.83 2kcp s VAL 35 Ca 0.44 -2.31 -0.03 0.00 0.00 0.00 0.00 61.98 60.07 2kcp s VAL 35 Cb -0.15 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 2kcp s VAL 35 CO 0.20 -0.90 -0.05 -0.70 0.00 0.00 0.00 175.10 173.65 2kcp s GLU 36 N 0.59 3.48 -0.40 2.72 2.12 0.63 -4.86 118.70 122.99 2kcp s GLU 36 Ca 0.13 -0.59 -0.29 0.00 0.36 0.00 0.00 54.97 54.57 2kcp s GLU 36 Cb -0.19 -2.95 0.02 0.00 0.26 0.00 0.00 34.13 31.27 2kcp s GLU 36 CO -0.04 -0.01 1.14 0.42 -0.54 0.00 0.00 175.26 176.24 2kcp s ILE 37 N 1.00 4.30 0.43 -3.70 1.01 -1.26 -0.28 121.20 122.70 2kcp s ILE 37 Ca 0.00 1.42 0.07 0.00 0.00 0.00 0.00 60.65 62.14 2kcp s ILE 37 Cb -0.15 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 2kcp s ILE 37 CO 0.01 -0.74 0.19 0.00 0.00 0.00 0.00 174.94 174.40 2kcp s ALA 38 N 4.18 3.67 -0.12 9.38 0.00 0.74 -4.88 121.76 134.72 2kcp s ALA 38 Ca 0.48 -1.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.38 2kcp s ALA 38 Cb -0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2kcp s ALA 38 CO 0.24 -0.18 0.18 -1.21 0.00 0.00 0.00 175.76 174.80 2kcp s GLU 39 N -3.93 3.72 -0.36 0.00 8.01 -1.26 0.01 118.70 124.89 2kcp s GLU 39 Ca 0.39 -0.06 -0.21 0.00 0.01 0.00 0.00 54.97 55.10 2kcp s GLU 39 Cb 0.03 -3.26 0.00 0.00 -4.31 0.00 0.00 34.13 26.60 2kcp s GLU 39 CO 0.22 0.63 0.64 0.42 0.01 0.00 0.00 175.26 177.17 2kcp s ILE 40 N -0.63 4.88 -0.10 -1.63 1.01 -0.55 -2.74 121.20 121.44 2kcp s ILE 40 Ca 0.15 0.59 -0.20 0.00 0.00 0.00 0.00 60.65 61.19 2kcp s ILE 40 Cb -0.12 -4.08 -0.28 0.00 0.01 0.00 0.00 42.46 37.99 2kcp s ILE 40 CO 0.04 -0.32 0.67 0.03 0.00 0.00 0.00 174.94 175.36 2kcp h ARG 41 N 8.47 0.21 -4.65 2.79 3.08 -1.22 -3.45 114.38 119.60 2kcp h ARG 41 Ca -0.26 -0.35 -0.62 0.00 0.07 0.00 0.00 59.98 58.81 2kcp h ARG 41 Cb 1.11 0.13 -0.37 0.00 0.08 0.00 0.00 29.97 30.92 2kcp h ARG 41 CO 0.84 1.17 -0.82 -0.80 -1.07 0.00 0.00 179.97 179.29 2kcp s ASN 42 N -6.89 3.37 0.30 7.04 0.01 -0.88 -4.98 114.94 112.92 2kcp s ASN 42 Ca -0.18 -0.86 0.11 0.00 -0.71 0.00 0.00 52.86 51.21 2kcp s ASN 42 Cb 0.02 -1.28 0.46 0.00 0.41 0.00 0.00 41.25 40.87 2kcp s ASN 42 CO 0.76 -0.12 1.68 0.58 -1.51 0.00 0.00 177.10 178.48 2kcp h VAL 43 N 6.34 1.39 -3.89 1.60 2.07 -1.88 -0.92 116.25 120.96 2kcp h VAL 43 Ca -0.30 -1.86 -0.52 0.00 0.82 0.00 0.00 66.70 64.84 2kcp h VAL 43 Cb 1.10 2.00 0.07 0.00 -1.52 0.00 0.00 31.29 32.93 2kcp h VAL 43 CO 0.50 0.53 0.63 0.54 0.02 0.00 0.00 177.57 179.79 2kcp s VAL 44 N -3.80 2.70 0.00 2.57 0.11 -1.26 -4.70 120.40 116.02 2kcp s VAL 44 Ca -0.02 0.69 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 2kcp s VAL 44 Cb 0.13 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 2kcp s VAL 44 CO 0.75 0.16 0.95 -0.62 -3.33 0.00 0.00 175.10 173.01 2kcp n GLU 45 N 0.68 0.79 -2.35 1.54 1.02 -1.25 -4.47 120.64 116.59 2kcp n GLU 45 Ca 0.01 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 2kcp n GLU 45 Cb 0.42 -1.11 -0.01 0.00 -0.02 0.00 0.00 31.44 30.72 2kcp n GLU 45 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kcp n ASN 46 N 0.81 -5.04 -4.20 1.62 3.02 -1.26 -4.97 115.26 105.24 2kcp n ASN 46 Ca 0.00 0.10 -0.28 0.00 -0.03 0.00 0.00 54.58 54.36 2kcp n ASN 46 Cb 0.39 -4.25 -0.07 0.00 -0.61 0.00 0.00 39.78 35.24 2kcp n ASN 46 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2kcp n THR 47 N -3.63 0.00 -0.98 3.41 5.66 -1.26 -5.16 114.28 112.32 2kcp n THR 47 Ca -0.20 -2.47 -0.30 0.00 -3.05 0.00 0.00 64.05 58.03 2kcp n THR 47 Cb 0.65 0.77 0.24 0.00 -1.55 0.00 0.00 70.33 70.44 2kcp n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kcp s ALA 48 N -3.07 0.41 -0.27 1.79 0.00 -1.26 -5.00 121.76 114.35 2kcp s ALA 48 Ca 0.15 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 2kcp s ALA 48 Cb 0.01 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 2kcp s ALA 48 CO 0.11 -3.70 0.51 -0.80 0.00 0.00 0.00 175.76 171.88 2kcp s ASN 49 N -3.73 6.41 0.52 0.00 -0.87 -1.26 -4.94 114.94 111.07 2kcp s ASN 49 Ca 0.70 0.45 0.21 0.00 -1.57 0.00 0.00 52.86 52.65 2kcp s ASN 49 Cb -0.11 -2.28 1.37 0.00 -0.02 0.00 0.00 41.25 40.21 2kcp s ASN 49 CO 0.57 -0.31 2.13 1.55 -2.57 0.00 0.00 177.10 178.47 2kcp h PRO 50 N 8.08 0.00 -3.42 -0.60 0.13 -2.01 -3.42 132.00 130.75 2kcp h PRO 50 Ca -0.29 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.65 2kcp h PRO 50 Cb 1.14 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.01 2kcp h PRO 50 CO 0.72 0.06 -0.56 -1.01 -0.23 0.00 0.00 178.00 176.98 2kcp s HIS 51 N -4.74 -0.13 -2.00 1.56 3.76 -1.26 -5.04 115.29 107.44 2kcp s HIS 51 Ca -0.04 0.32 0.12 0.00 -0.15 0.00 0.00 55.06 55.30 2kcp s HIS 51 Cb 0.16 0.04 0.70 0.00 1.11 0.00 0.00 32.58 34.59 2kcp s HIS 51 CO 0.63 -0.09 1.13 1.97 -0.85 0.00 0.00 174.74 177.53 2kcp n PHE 52 N 2.89 0.00 0.32 1.40 -1.74 -1.26 -2.98 117.46 116.08 2kcp n PHE 52 Ca -0.13 0.00 0.21 0.00 -0.56 0.00 0.00 57.45 56.96 2kcp n PHE 52 Cb 0.59 0.00 1.03 0.00 1.52 0.00 0.00 39.48 42.61 2kcp n PHE 52 CO 0.00 0.00 0.00 -0.24 -0.56 0.00 0.00 176.76 175.96 2kcp h VAL 53 N 0.00 0.03 -1.28 1.97 3.04 -1.97 -3.46 116.25 114.58 2kcp h VAL 53 Ca 0.00 -0.19 -0.37 0.00 -1.01 0.00 0.00 66.70 65.13 2kcp h VAL 53 Cb 0.00 1.18 -0.12 0.00 -2.01 0.00 0.00 31.29 30.35 2kcp h VAL 53 CO 0.00 0.00 -0.37 0.54 -1.01 0.00 0.00 177.57 176.74 2kcp n ARG 54 N -3.11 -1.30 -2.00 4.17 5.12 -1.16 -4.90 116.66 113.47 2kcp n ARG 54 Ca -0.02 1.08 -0.30 0.00 -1.93 0.00 0.00 57.85 56.68 2kcp n ARG 54 Cb 0.16 -5.40 -0.05 0.00 -1.16 0.00 0.00 32.46 26.01 2kcp n ARG 54 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2kcp s ARG 55 N -3.87 2.51 -0.68 5.56 3.52 -1.26 -4.92 118.95 119.81 2kcp s ARG 55 Ca 0.00 0.06 -0.27 0.00 -0.13 0.00 0.00 55.73 55.39 2kcp s ARG 55 Cb 0.00 -4.84 0.02 0.00 -1.56 0.00 0.00 34.95 28.57 2kcp s ARG 55 CO 0.00 -3.25 1.41 -0.80 -0.81 0.00 0.00 175.30 171.84 2kcp s ASN 56 N 8.34 6.00 -0.05 -2.12 0.01 -1.26 -4.98 114.94 120.87 2kcp s ASN 56 Ca 0.71 -0.15 0.03 0.00 -0.71 0.00 0.00 52.86 52.74 2kcp s ASN 56 Cb -0.09 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.03 2kcp s ASN 56 CO 0.07 -1.91 -0.13 -0.51 -1.51 0.00 0.00 177.10 173.11 2kcp s ILE 57 N 6.40 1.15 0.01 0.60 2.07 -1.26 -5.07 121.20 125.10 2kcp s ILE 57 Ca 0.44 -0.52 -0.22 0.00 -1.41 0.00 0.00 60.65 58.94 2kcp s ILE 57 Cb -0.09 -1.03 -0.05 0.00 0.13 0.00 0.00 42.46 41.42 2kcp s ILE 57 CO 0.18 0.35 0.65 -0.63 -1.91 0.00 0.00 174.94 173.58 2kcp s ILE 58 N 0.40 4.85 0.26 2.00 1.01 -1.26 -5.01 121.20 123.45 2kcp s ILE 58 Ca -0.09 1.36 -0.07 0.00 0.00 0.00 0.00 60.65 61.85 2kcp s ILE 58 Cb -0.13 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 2kcp s ILE 58 CO 0.03 0.41 0.39 0.28 0.00 0.00 0.00 174.94 176.04 2kcp s THR 59 N -0.18 0.00 -0.23 2.92 -1.32 -1.26 -4.29 115.64 111.28 2kcp s THR 59 Ca 0.33 -1.61 -0.29 0.00 -1.21 0.00 0.00 61.69 58.91 2kcp s THR 59 Cb -0.19 -2.39 -0.02 0.00 -1.51 0.00 0.00 72.50 68.39 2kcp s THR 59 CO 0.19 0.00 1.45 -0.60 -2.21 0.00 0.00 174.62 173.45 2kcp s ARG 60 N -3.81 3.93 0.00 7.08 3.52 -1.26 -2.40 118.95 126.02 2kcp s ARG 60 Ca 0.29 1.55 0.00 0.00 -0.13 0.00 0.00 55.73 57.44 2kcp s ARG 60 Cb 0.01 -3.94 0.00 0.00 -1.56 0.00 0.00 34.95 29.47 2kcp s ARG 60 CO 0.13 -1.12 0.00 0.41 -0.81 0.00 0.00 175.30 173.91 2kcp n GLY 61 N 4.35 0.71 3.82 8.12 0.00 0.13 -5.00 105.19 117.33 2kcp n GLY 61 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2kcp n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcp s ALA 62 N -2.00 3.63 -0.35 4.61 0.00 -1.01 -4.87 121.76 121.77 2kcp s ALA 62 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.74 2kcp s ALA 62 Cb 0.00 -2.53 -0.01 0.00 0.00 0.00 0.00 23.12 20.59 2kcp s ALA 62 CO 0.00 0.41 0.24 0.08 0.00 0.00 0.00 175.76 176.50 2kcp s VAL 63 N -1.00 5.18 0.15 0.00 1.01 -1.26 -0.53 120.40 123.94 2kcp s VAL 63 Ca 0.27 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2kcp s VAL 63 Cb -0.18 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2kcp s VAL 63 CO 0.16 -0.07 0.21 0.68 0.00 0.00 0.00 175.10 176.08 2kcp s VAL 64 N 1.70 4.95 -0.26 2.92 -7.23 0.30 -3.89 120.40 118.89 2kcp s VAL 64 Ca 0.06 -0.83 -0.15 0.00 -1.81 0.00 0.00 61.98 59.24 2kcp s VAL 64 Cb -0.18 -3.53 -0.04 0.00 0.56 0.00 0.00 36.38 33.20 2kcp s VAL 64 CO 0.10 -0.08 0.37 -0.70 -0.31 0.00 0.00 175.10 174.49 2kcp s GLU 65 N -3.10 4.04 0.42 4.82 2.56 -0.35 -0.77 118.70 126.31 2kcp s GLU 65 Ca 0.33 0.06 0.04 0.00 0.00 0.00 0.00 54.97 55.40 2kcp s GLU 65 Cb -0.11 -3.64 -0.05 0.00 2.00 0.00 0.00 34.13 32.33 2kcp s GLU 65 CO 0.26 -0.24 0.03 0.95 -0.56 0.00 0.00 175.26 175.70 2kcp s THR 66 N 1.97 1.47 0.44 -1.70 -4.23 -0.44 -0.64 115.64 112.50 2kcp s THR 66 Ca 0.15 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.79 2kcp s THR 66 Cb -0.16 -2.68 0.31 0.00 1.34 0.00 0.00 72.50 71.31 2kcp s THR 66 CO 0.10 0.00 2.02 -0.55 -0.54 0.00 0.00 174.62 175.64 2kcp h ASN 67 N 1.74 0.34 0.53 3.99 7.08 -1.91 -1.36 115.58 125.99 2kcp h ASN 67 Ca -0.42 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 52.60 2kcp h ASN 67 Cb 1.26 -0.07 -0.01 0.00 -2.08 0.00 0.00 38.32 37.42 2kcp h ASN 67 CO 0.74 0.22 -0.86 -0.07 -2.08 0.00 0.00 177.43 175.39 2kcp h LEU 68 N 0.39 0.29 0.00 6.14 3.38 -1.96 -3.50 115.31 120.05 2kcp h LEU 68 Ca 0.22 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kcp h LEU 68 Cb 0.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2kcp h LEU 68 CO -0.05 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.10 2kcp n GLY 69 N 0.82 0.84 3.69 0.83 0.00 -0.51 -5.08 105.19 105.78 2kcp n GLY 69 Ca -0.04 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 2kcp n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kcp s ASN 70 N -4.00 6.77 -0.14 1.61 0.02 -1.24 -1.33 114.94 116.62 2kcp s ASN 70 Ca 0.00 2.26 0.00 0.00 -1.02 0.00 0.00 52.86 54.10 2kcp s ASN 70 Cb 0.00 -2.56 0.03 0.00 0.02 0.00 0.00 41.25 38.73 2kcp s ASN 70 CO 0.00 -0.76 -0.12 -0.69 0.02 0.00 0.00 177.10 175.55 2kcp s VAL 71 N 2.30 1.42 -0.44 1.60 1.01 0.05 -0.26 120.40 126.08 2kcp s VAL 71 Ca 0.67 -0.58 -0.26 0.00 0.00 0.00 0.00 61.98 61.81 2kcp s VAL 71 Cb -0.35 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.68 2kcp s VAL 71 CO 0.29 0.39 0.95 -0.60 0.00 0.00 0.00 175.10 176.13 2kcp s ARG 72 N 1.54 3.65 0.11 2.72 3.52 0.62 -0.54 118.95 130.58 2kcp s ARG 72 Ca 0.04 0.33 -0.31 0.00 -0.13 0.00 0.00 55.73 55.67 2kcp s ARG 72 Cb -0.13 -3.89 -0.07 0.00 -1.56 0.00 0.00 34.95 29.30 2kcp s ARG 72 CO -0.10 -1.16 1.28 0.08 -0.81 0.00 0.00 175.30 174.59 2kcp s VAL 73 N 3.76 3.60 -0.15 7.11 1.01 0.31 -0.03 120.40 136.01 2kcp s VAL 73 Ca 0.39 1.19 0.09 0.00 0.00 0.00 0.00 61.98 63.65 2kcp s VAL 73 Cb -0.10 -3.76 -0.16 0.00 0.00 0.00 0.00 36.38 32.36 2kcp s VAL 73 CO 0.25 0.12 -0.02 0.35 0.00 0.00 0.00 175.10 175.80 2kcp n THR 74 N 3.60 0.99 -4.74 3.92 -2.24 0.75 -0.69 114.28 115.87 2kcp n THR 74 Ca 0.09 -0.54 -0.33 0.00 -2.27 0.00 0.00 64.05 61.00 2kcp n THR 74 Cb 0.44 -0.78 -0.13 0.00 -2.10 0.00 0.00 70.33 67.76 2kcp n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kcp s SER 75 N -5.05 4.21 0.28 3.42 0.15 -0.98 -4.60 113.70 111.13 2kcp s SER 75 Ca -0.12 -0.21 -0.27 0.00 0.70 0.00 0.00 55.95 56.05 2kcp s SER 75 Cb 0.05 -1.32 -0.09 0.00 -1.71 0.00 0.00 66.02 62.94 2kcp s SER 75 CO 0.53 0.25 0.91 -0.13 1.20 0.00 0.00 173.24 176.01 2kcp s ARG 76 N -0.17 4.64 -0.62 5.44 0.52 -1.26 -3.61 118.95 123.89 2kcp s ARG 76 Ca 0.01 1.33 -0.26 0.00 -0.52 0.00 0.00 55.73 56.28 2kcp s ARG 76 Cb -0.13 -2.98 -0.07 0.00 0.52 0.00 0.00 34.95 32.29 2kcp s ARG 76 CO 0.03 0.38 2.23 -1.25 0.02 0.00 0.00 175.30 176.71 2kcp s PRO 77 N -1.73 2.18 0.00 3.54 0.04 -1.26 -2.73 135.00 135.03 2kcp s PRO 77 Ca 0.46 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2kcp s PRO 77 Cb -0.21 -4.62 0.00 0.00 0.04 0.00 0.00 34.50 29.71 2kcp s PRO 77 CO 0.26 -3.37 0.00 0.41 0.04 0.00 0.00 177.00 174.34 2kcp n GLY 78 N 6.16 1.28 0.09 0.56 0.00 -1.26 -4.99 105.19 107.02 2kcp n GLY 78 Ca 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.34 2kcp n GLY 78 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kcp h GLN 79 N 0.00 -0.16 -0.62 1.61 1.08 -1.80 -2.96 115.11 112.27 2kcp h GLN 79 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2kcp h GLN 79 Cb 0.00 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2kcp h GLN 79 CO 0.00 -0.11 0.00 -0.25 -0.95 0.00 0.00 178.83 177.52 2kcp n ASP 80 N -2.87 5.27 0.00 1.46 8.00 -1.26 -4.93 116.55 122.21 2kcp n ASP 80 Ca -0.02 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.74 2kcp n ASP 80 Cb 0.08 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 2kcp n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kcp n GLY 81 N 0.78 1.78 3.96 0.44 0.00 -1.12 -4.95 105.19 106.08 2kcp n GLY 81 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 2kcp n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kcp s VAL 82 N 0.00 5.28 -0.03 1.61 0.11 -1.26 -4.44 120.40 121.66 2kcp s VAL 82 Ca 0.00 -0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 58.16 2kcp s VAL 82 Cb 0.00 -3.82 -0.04 0.00 -1.53 0.00 0.00 36.38 30.99 2kcp s VAL 82 CO 0.00 -0.26 0.04 -0.63 -3.33 0.00 0.00 175.10 170.92 2kcp s ILE 83 N -1.92 4.49 0.06 7.04 1.01 -1.26 -4.46 121.20 126.16 2kcp s ILE 83 Ca 0.34 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.66 2kcp s ILE 83 Cb -0.10 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 2kcp s ILE 83 CO 0.29 0.44 -0.19 0.20 0.00 0.00 0.00 174.94 175.68 2kcp s ASN 84 N -1.43 2.26 0.35 3.58 -0.87 -1.24 -0.25 114.94 117.34 2kcp s ASN 84 Ca 0.19 -0.54 -0.09 0.00 -1.57 0.00 0.00 52.86 50.85 2kcp s ASN 84 Cb -0.12 -0.16 0.03 0.00 -0.02 0.00 0.00 41.25 40.99 2kcp s ASN 84 CO 0.09 0.10 0.61 0.61 -2.57 0.00 0.00 177.10 175.94 2kcp n GLY 85 N 1.69 1.53 3.12 0.66 0.00 -0.29 -0.18 105.19 111.72 2kcp n GLY 85 Ca -0.18 -1.39 -0.28 0.00 0.00 0.00 0.00 46.02 44.17 2kcp n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kcp s VAL 86 N -2.44 1.60 -0.50 1.61 1.01 0.96 -0.28 120.40 122.36 2kcp s VAL 86 Ca 0.20 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 2kcp s VAL 86 Cb -0.03 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2kcp s VAL 86 CO 0.14 0.46 1.50 -0.22 0.00 0.00 0.00 175.10 176.98 2kcp s LEU 87 N 0.51 3.45 0.49 3.92 2.96 0.14 -0.28 118.68 129.87 2kcp s LEU 87 Ca -0.17 0.53 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 2kcp s LEU 87 Cb -0.17 -3.17 -0.03 0.00 0.50 0.00 0.00 46.19 43.32 2kcp s LEU 87 CO 0.06 -1.71 0.00 0.27 -1.32 0.00 0.00 176.35 173.66 2kcp s ILE 88 N 6.29 1.34 -0.43 6.68 -4.36 0.64 -4.28 121.20 127.08 2kcp s ILE 88 Ca 0.59 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.00 2kcp s ILE 88 Cb -0.13 -2.35 0.13 0.00 1.25 0.00 0.00 42.46 41.36 2kcp s ILE 88 CO 0.27 0.00 0.22 -0.13 0.24 0.00 0.00 174.94 175.55 2kcp s ARG 89 N -3.84 1.30 -0.19 0.37 1.81 -1.26 -3.69 118.95 113.45 2kcp s ARG 89 Ca 0.12 -1.97 -0.10 0.00 -1.72 0.00 0.00 55.73 52.06 2kcp s ARG 89 Cb 0.03 -2.41 -0.08 0.00 -0.45 0.00 0.00 34.95 32.04 2kcp s ARG 89 CO 0.06 -1.14 -0.25 0.39 -0.68 0.00 0.00 175.30 173.69 2kcp n GLU 90 N 3.64 0.40 -1.31 3.54 -0.58 -1.26 -5.05 120.64 120.02 2kcp n GLU 90 Ca 0.07 0.18 -0.30 0.00 -0.42 0.00 0.00 57.16 56.69 2kcp n GLU 90 Cb 0.35 -1.17 0.23 0.00 -0.57 0.00 0.00 31.44 30.27 2kcp n GLU 90 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kcp s LEU 91 N -7.04 1.23 -0.12 -4.62 1.43 -1.26 -4.90 118.68 103.40 2kcp s LEU 91 Ca -0.26 0.51 -0.32 0.00 -1.03 0.00 0.00 54.13 53.02 2kcp s LEU 91 Cb 0.10 -2.31 -0.10 0.00 0.03 0.00 0.00 46.19 43.91 2kcp s LEU 91 CO 0.33 -3.78 2.01 1.21 0.23 0.00 0.00 176.35 176.36 2kcp n GLU 92 N -4.51 2.15 -3.32 1.70 2.13 -1.26 -4.96 120.64 112.58 2kcp n GLU 92 Ca 0.14 0.74 -0.38 0.00 0.66 0.00 0.00 57.16 58.32 2kcp n GLU 92 Cb 0.59 -2.82 -0.06 0.00 0.27 0.00 0.00 31.44 29.43 2kcp n GLU 92 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2kcp s HIS 93 N 5.40 3.68 -0.09 4.31 -3.43 -1.26 -5.08 115.29 118.82 2kcp s HIS 93 Ca 0.96 1.09 -0.01 0.00 -0.80 0.00 0.00 55.06 56.30 2kcp s HIS 93 Cb -0.59 -2.49 -0.03 0.00 -1.43 0.00 0.00 32.58 28.04 2kcp s HIS 93 CO 0.46 0.43 -0.01 -1.01 -2.00 0.00 0.00 174.74 172.61 2kcp s HIS 94 N -0.41 3.11 -0.19 0.38 0.09 -1.26 -5.03 115.29 111.97 2kcp s HIS 94 Ca 0.28 0.13 -0.09 0.00 -0.00 0.00 0.00 55.06 55.37 2kcp s HIS 94 Cb -0.17 -1.79 -0.08 0.00 -0.00 0.00 0.00 32.58 30.54 2kcp s HIS 94 CO 0.15 0.41 -0.24 -2.39 -0.00 0.00 0.00 174.74 172.66 2kcp n HIS 95 N 2.26 0.00 -2.48 1.40 1.44 -1.26 -4.83 115.22 111.76 2kcp n HIS 95 Ca -0.18 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.13 2kcp n HIS 95 Cb 0.53 -0.67 -0.02 0.00 0.12 0.00 0.00 29.99 29.96 2kcp n HIS 95 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kcp s HIS 96 N -2.35 2.53 0.45 -1.40 5.04 -1.26 -4.94 115.29 113.37 2kcp s HIS 96 Ca -0.26 -0.96 0.08 0.00 -1.54 0.00 0.00 55.06 52.38 2kcp s HIS 96 Cb 0.10 -4.60 0.03 0.00 0.04 0.00 0.00 32.58 28.14 2kcp s HIS 96 CO 0.33 -1.78 0.61 -3.38 -2.34 0.00 0.00 174.74 168.17 2kcp s HIS 97 N 5.67 2.49 0.00 3.88 -3.43 -1.26 -5.32 115.29 117.32 2kcp s HIS 97 Ca 0.54 -0.48 0.00 0.00 -0.80 0.00 0.00 55.06 54.32 2kcp s HIS 97 Cb 0.01 -2.33 0.00 0.00 -1.43 0.00 0.00 32.58 28.84 2kcp s HIS 97 CO 0.02 -0.56 0.04 1.58 -2.00 0.00 0.00 174.74 173.81