#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcp s ASP 2 N 0.00 6.28 0.00 1.61 -1.08 -1.26 -4.96 116.67 117.27 2kcp s ASP 2 Ca 0.00 0.32 0.12 0.00 -0.52 0.00 0.00 52.55 52.47 2kcp s ASP 2 Cb 0.00 -2.19 0.30 0.00 -1.46 0.00 0.00 42.92 39.57 2kcp s ASP 2 CO 0.00 -0.07 1.22 0.54 0.52 0.00 0.00 175.17 177.38 2kcp n ARG 3 N 4.72 2.55 -1.79 4.34 5.12 -1.26 -5.05 116.66 125.28 2kcp n ARG 3 Ca -0.10 -1.98 -0.33 0.00 -1.93 0.00 0.00 57.85 53.51 2kcp n ARG 3 Cb 0.51 -1.29 0.04 0.00 -1.16 0.00 0.00 32.46 30.57 2kcp n ARG 3 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2kcp s ARG 4 N -1.00 2.89 0.47 5.56 0.52 -1.26 -5.02 118.95 121.11 2kcp s ARG 4 Ca 0.24 1.33 -0.15 0.00 -0.52 0.00 0.00 55.73 56.63 2kcp s ARG 4 Cb 0.13 -1.97 -0.07 0.00 0.52 0.00 0.00 34.95 33.56 2kcp s ARG 4 CO 0.17 -1.17 0.91 0.08 0.02 0.00 0.00 175.30 175.31 2kcp s VAL 5 N -2.41 4.61 0.46 3.52 1.01 -1.26 -5.04 120.40 121.29 2kcp s VAL 5 Ca 0.66 1.03 -0.24 0.00 0.00 0.00 0.00 61.98 63.42 2kcp s VAL 5 Cb -0.19 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 2kcp s VAL 5 CO 0.42 -0.62 1.29 0.00 0.00 0.00 0.00 175.10 176.18 2kcp s ARG 6 N -3.96 3.70 0.00 2.72 1.70 -1.26 -4.96 118.95 116.89 2kcp s ARG 6 Ca 0.56 2.09 0.09 0.00 -0.47 0.00 0.00 55.73 58.00 2kcp s ARG 6 Cb -0.10 -2.54 0.09 0.00 -0.57 0.00 0.00 34.95 31.82 2kcp s ARG 6 CO 0.31 -0.69 0.82 1.28 -1.08 0.00 0.00 175.30 175.93 2kcp n LEU 7 N -0.32 1.82 -4.68 -1.89 4.77 -1.26 -5.00 117.00 110.43 2kcp n LEU 7 Ca 0.06 -1.10 -0.41 0.00 -0.03 0.00 0.00 56.01 54.52 2kcp n LEU 7 Cb 0.45 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2kcp n LEU 7 CO 0.53 0.37 0.62 -0.51 -1.33 0.00 0.00 177.39 177.07 2kcp s ILE 8 N -0.74 4.88 0.43 -0.08 1.10 -1.26 -5.06 121.20 120.47 2kcp s ILE 8 Ca 0.11 1.69 0.07 0.00 -0.51 0.00 0.00 60.65 62.01 2kcp s ILE 8 Cb 0.07 -4.16 -0.04 0.00 0.15 0.00 0.00 42.46 38.49 2kcp s ILE 8 CO 0.11 0.05 0.23 0.00 -2.11 0.00 0.00 174.94 173.23 2kcp s ARG 9 N 1.92 2.28 0.00 3.50 3.03 -1.26 -5.12 118.95 123.31 2kcp s ARG 9 Ca 0.40 -1.83 0.00 0.00 2.03 0.00 0.00 55.73 56.34 2kcp s ARG 9 Cb -0.17 -2.05 0.00 0.00 -1.03 0.00 0.00 34.95 31.70 2kcp s ARG 9 CO 0.15 -0.19 0.00 0.25 -1.13 0.00 0.00 175.30 174.37 2kcp n THR 10 N -1.35 0.00 -1.24 4.99 -2.24 -1.26 -5.11 114.28 108.07 2kcp n THR 10 Ca -0.01 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2kcp n THR 10 Cb 0.64 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 2kcp n THR 10 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2kcp n ARG 11 N -1.37 -3.13 0.00 -0.78 0.00 -1.26 -5.12 116.66 105.00 2kcp n ARG 11 Ca 0.00 2.34 0.00 0.00 -0.00 0.00 0.00 57.85 60.19 2kcp n ARG 11 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 32.46 30.03 2kcp n ARG 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kcp n GLY 12 N 0.60 0.72 0.00 5.14 0.00 -1.26 -5.19 105.19 105.20 2kcp n GLY 12 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2kcp n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kcp n GLY 13 N -0.51 3.80 3.83 -0.02 0.00 -1.26 -5.18 105.19 105.85 2kcp n GLY 13 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 5.21 -0.10 1.61 0.02 -1.26 -5.13 114.94 115.30 2kcp s ASN 14 Ca 0.00 -0.53 0.03 0.00 -1.02 0.00 0.00 52.86 51.34 2kcp s ASN 14 Cb 0.00 -0.95 -0.01 0.00 0.02 0.00 0.00 41.25 40.31 2kcp s ASN 14 CO 0.00 -0.34 -0.19 -0.89 0.02 0.00 0.00 177.10 175.70 2kcp s THR 15 N -2.32 2.50 0.19 1.60 2.01 -1.26 -5.12 115.64 113.24 2kcp s THR 15 Ca 0.40 -0.88 -0.15 0.00 0.31 0.00 0.00 61.69 61.37 2kcp s THR 15 Cb -0.05 -1.99 -0.07 0.00 0.01 0.00 0.00 72.50 70.40 2kcp s THR 15 CO 0.26 0.55 0.61 -0.54 -0.69 0.00 0.00 174.62 174.81 2kcp s LYS 16 N 0.12 4.04 0.25 4.92 -0.14 -1.26 -5.06 119.74 122.61 2kcp s LYS 16 Ca -0.10 0.58 -0.30 0.00 -1.36 0.00 0.00 55.97 54.80 2kcp s LYS 16 Cb -0.16 -2.86 -0.09 0.00 -1.68 0.00 0.00 37.83 33.04 2kcp s LYS 16 CO 0.06 0.42 1.15 0.54 -0.76 0.00 0.00 175.35 176.76 2kcp s VAL 17 N -1.55 3.43 -1.22 3.17 0.11 -1.26 -4.61 120.40 118.47 2kcp s VAL 17 Ca 0.41 1.35 0.02 0.00 -2.93 0.00 0.00 61.98 60.83 2kcp s VAL 17 Cb -0.15 -3.86 0.02 0.00 -1.53 0.00 0.00 36.38 30.86 2kcp s VAL 17 CO 0.20 0.29 0.94 -2.11 -3.33 0.00 0.00 175.10 171.09 2kcp n ARG 18 N 1.58 0.01 -3.41 1.54 -4.01 -1.26 -4.41 116.66 106.70 2kcp n ARG 18 Ca 0.01 0.37 -0.02 0.00 -1.04 0.00 0.00 57.85 57.17 2kcp n ARG 18 Cb 0.44 -1.50 -0.05 0.00 -3.04 0.00 0.00 32.46 28.32 2kcp n ARG 18 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 2kcp s LEU 19 N -2.78 -1.05 -0.27 2.89 0.20 -1.26 -4.77 118.68 111.64 2kcp s LEU 19 Ca 0.01 0.96 -0.00 0.00 0.69 0.00 0.00 54.13 55.79 2kcp s LEU 19 Cb 0.01 1.87 0.14 0.00 -0.43 0.00 0.00 46.19 47.78 2kcp s LEU 19 CO 0.03 -0.25 0.34 0.00 -0.29 0.00 0.00 176.35 176.18 2kcp s ALA 20 N 2.77 -0.83 0.00 5.97 0.00 -1.26 -4.96 121.76 123.44 2kcp s ALA 20 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2kcp s ALA 20 Cb -0.14 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2kcp s ALA 20 CO -0.18 -1.60 0.00 0.43 0.00 0.00 0.00 175.76 174.41 2kcp n SER 21 N 5.34 0.00 -4.64 0.00 7.64 -1.26 -4.88 113.62 115.82 2kcp n SER 21 Ca -0.02 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.56 2kcp n SER 21 Cb 0.48 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.60 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 4.78 -0.20 6.43 2.15 -1.26 -5.12 116.67 123.46 2kcp s ASP 22 Ca 0.00 -0.24 0.01 0.00 0.43 0.00 0.00 52.55 52.75 2kcp s ASP 22 Cb 0.00 -1.07 0.04 0.00 -0.30 0.00 0.00 42.92 41.59 2kcp s ASP 22 CO 0.00 0.19 -0.10 -0.89 -0.17 0.00 0.00 175.17 174.20 2kcp s THR 23 N -1.25 1.63 0.11 1.71 2.01 -1.26 -4.78 115.64 113.81 2kcp s THR 23 Ca 0.23 -1.00 0.08 0.00 0.31 0.00 0.00 61.69 61.31 2kcp s THR 23 Cb -0.11 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 2kcp s THR 23 CO 0.16 0.17 -0.19 -0.13 -0.69 0.00 0.00 174.62 173.94 2kcp s ARG 24 N 1.40 1.08 -0.09 4.92 0.52 -1.26 -3.65 118.95 121.87 2kcp s ARG 24 Ca -0.01 -1.17 -0.08 0.00 -0.52 0.00 0.00 55.73 53.96 2kcp s ARG 24 Cb -0.16 -1.24 0.02 0.00 0.52 0.00 0.00 34.95 34.09 2kcp s ARG 24 CO -0.08 0.28 0.23 -1.50 0.02 0.00 0.00 175.30 174.24 2kcp s ILE 25 N -1.39 -0.00 -0.64 1.52 2.07 0.54 -4.49 121.20 118.80 2kcp s ILE 25 Ca 0.06 0.01 -0.28 0.00 -1.41 0.00 0.00 60.65 59.04 2kcp s ILE 25 Cb -0.09 -0.32 0.03 0.00 0.13 0.00 0.00 42.46 42.20 2kcp s ILE 25 CO 0.04 0.01 1.25 0.20 -1.91 0.00 0.00 174.94 174.53 2kcp s ASN 26 N 0.22 6.30 -0.37 4.50 0.01 0.78 -1.08 114.94 125.31 2kcp s ASN 26 Ca -0.01 -0.08 -0.18 0.00 -0.71 0.00 0.00 52.86 51.88 2kcp s ASN 26 Cb -0.02 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.08 2kcp s ASN 26 CO -0.00 -1.65 0.52 -0.69 -1.51 0.00 0.00 177.10 173.77 2kcp s VAL 27 N 5.39 5.00 -0.30 1.60 1.01 0.69 -0.68 120.40 133.12 2kcp s VAL 27 Ca 0.41 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.47 2kcp s VAL 27 Cb -0.08 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2kcp s VAL 27 CO 0.21 -0.28 0.42 -0.69 0.00 0.00 0.00 175.10 174.76 2kcp s VAL 28 N 2.41 5.13 0.02 2.92 1.01 0.71 -0.56 120.40 132.04 2kcp s VAL 28 Ca 0.18 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 2kcp s VAL 28 Cb -0.15 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2kcp s VAL 28 CO 0.14 0.03 1.13 -0.62 0.00 0.00 0.00 175.10 175.78 2kcp s ASP 29 N 1.67 7.16 0.40 3.32 2.15 -0.28 -0.90 116.67 130.18 2kcp s ASP 29 Ca 0.16 1.86 0.21 0.00 0.43 0.00 0.00 52.55 55.22 2kcp s ASP 29 Cb -0.16 -2.57 0.50 0.00 -0.30 0.00 0.00 42.92 40.39 2kcp s ASP 29 CO 0.11 -0.43 1.65 1.55 -0.17 0.00 0.00 175.17 177.87 2kcp h PRO 30 N 6.93 0.00 0.08 4.34 0.13 -1.91 0.12 132.00 141.69 2kcp h PRO 30 Ca -0.40 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.41 2kcp h PRO 30 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2kcp h PRO 30 CO 0.81 0.23 -1.75 0.93 -0.23 0.00 0.00 178.00 178.00 2kcp h GLU 31 N 0.00 0.17 0.00 0.86 5.08 -1.92 -3.40 114.58 115.37 2kcp h GLU 31 Ca -0.00 -0.29 -0.23 0.00 -1.00 0.00 0.00 59.36 57.84 2kcp h GLU 31 Cb 1.02 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 2kcp h GLU 31 CO 0.03 0.95 -1.85 0.25 -1.00 0.00 0.00 179.01 177.39 2kcp n THR 32 N -3.33 0.85 -0.50 1.13 -2.24 -1.25 -5.03 114.28 103.91 2kcp n THR 32 Ca -0.22 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2kcp n THR 32 Cb 1.05 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 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 2.33 0.75 3.74 3.38 0.00 0.42 -5.04 105.19 110.77 2kcp n GLY 33 Ca -0.21 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.51 4.79 -0.47 1.61 -2.85 -1.25 -4.74 119.74 116.33 2kcp s LYS 34 Ca 0.00 1.50 -0.17 0.00 -1.00 0.00 0.00 55.97 56.30 2kcp s LYS 34 Cb 0.00 -3.31 0.06 0.00 -2.06 0.00 0.00 37.83 32.52 2kcp s LYS 34 CO 0.00 0.39 0.47 0.08 0.10 0.00 0.00 175.35 176.39 2kcp s VAL 35 N -0.77 5.10 -0.05 1.79 1.01 -1.26 -1.13 120.40 125.09 2kcp s VAL 35 Ca 0.43 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.70 2kcp s VAL 35 Cb -0.25 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 31.98 2kcp s VAL 35 CO 0.32 -0.61 -0.13 -0.70 0.00 0.00 0.00 175.10 173.98 2kcp s GLU 36 N 2.03 1.57 0.23 2.72 2.12 0.28 -4.92 118.70 122.73 2kcp s GLU 36 Ca 0.09 -0.45 -0.28 0.00 0.36 0.00 0.00 54.97 54.69 2kcp s GLU 36 Cb -0.21 -1.34 -0.09 0.00 0.26 0.00 0.00 34.13 32.75 2kcp s GLU 36 CO 0.10 0.11 0.90 0.42 -0.54 0.00 0.00 175.26 176.25 2kcp s ILE 37 N 0.37 4.16 0.17 -3.70 1.01 -1.26 -0.22 121.20 121.73 2kcp s ILE 37 Ca -0.09 1.96 -0.05 0.00 0.00 0.00 0.00 60.65 62.48 2kcp s ILE 37 Cb -0.13 -4.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 2kcp s ILE 37 CO 0.03 0.47 0.19 0.00 0.00 0.00 0.00 174.94 175.63 2kcp s ALA 38 N -1.21 0.58 -0.08 9.38 0.00 -0.24 -4.90 121.76 125.28 2kcp s ALA 38 Ca 0.41 -1.30 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 2kcp s ALA 38 Cb -0.25 1.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 2kcp s ALA 38 CO 0.30 -0.60 0.21 -1.21 0.00 0.00 0.00 175.76 174.46 2kcp s GLU 39 N -4.05 3.56 -0.35 0.00 8.01 -1.26 -0.34 118.70 124.27 2kcp s GLU 39 Ca 0.26 -0.01 -0.23 0.00 0.01 0.00 0.00 54.97 55.00 2kcp s GLU 39 Cb 0.05 -3.18 0.01 0.00 -4.31 0.00 0.00 34.13 26.69 2kcp s GLU 39 CO 0.05 0.75 0.79 0.42 0.01 0.00 0.00 175.26 177.27 2kcp s ILE 40 N -1.07 4.75 -0.13 -1.63 1.01 -1.24 -3.27 121.20 119.61 2kcp s ILE 40 Ca 0.18 0.96 -0.18 0.00 0.00 0.00 0.00 60.65 61.62 2kcp s ILE 40 Cb -0.13 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 37.99 2kcp s ILE 40 CO 0.08 -0.39 0.43 0.03 0.00 0.00 0.00 174.94 175.08 2kcp h ARG 41 N 8.39 0.00 -5.48 2.79 2.47 -0.31 -3.47 114.38 118.76 2kcp h ARG 41 Ca -0.25 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 57.79 2kcp h ARG 41 Cb 1.09 0.00 -0.32 0.00 -1.65 0.00 0.00 29.97 29.09 2kcp h ARG 41 CO 0.90 0.62 -0.87 -0.80 0.56 0.00 0.00 179.97 180.38 2kcp s ASN 42 N -6.02 3.16 0.26 7.04 -0.87 -1.03 -4.98 114.94 112.50 2kcp s ASN 42 Ca -0.13 -0.53 0.18 0.00 -1.57 0.00 0.00 52.86 50.81 2kcp s ASN 42 Cb -0.01 -1.30 0.08 0.00 -0.02 0.00 0.00 41.25 39.99 2kcp s ASN 42 CO 0.43 0.18 1.31 1.62 -2.57 0.00 0.00 177.10 178.07 2kcp h VAL 43 N 5.54 0.48 -3.03 1.60 3.04 -1.90 -0.61 116.25 121.37 2kcp h VAL 43 Ca -0.22 -1.74 -0.60 0.00 -1.01 0.00 0.00 66.70 63.13 2kcp h VAL 43 Cb 1.22 2.13 -0.04 0.00 -2.01 0.00 0.00 31.29 32.59 2kcp h VAL 43 CO 0.48 0.27 -0.34 0.54 -1.01 0.00 0.00 177.57 177.51 2kcp s VAL 44 N -3.06 5.22 0.00 1.51 0.11 -1.26 -4.61 120.40 118.31 2kcp s VAL 44 Ca 0.03 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 2kcp s VAL 44 Cb 0.07 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.32 2kcp s VAL 44 CO 0.75 0.22 0.00 -1.84 -3.33 0.00 0.00 175.10 170.89 2kcp n GLU 45 N 0.64 1.98 -1.99 1.54 0.00 -1.20 -4.66 120.64 116.95 2kcp n GLU 45 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.67 2kcp n GLU 45 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.93 2kcp n GLU 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2kcp s ASN 46 N -0.98 5.78 0.21 -1.84 4.22 -1.26 -4.98 114.94 116.08 2kcp s ASN 46 Ca 0.00 1.17 -0.22 0.00 -2.14 0.00 0.00 52.86 51.66 2kcp s ASN 46 Cb 0.00 -2.53 -0.08 0.00 1.28 0.00 0.00 41.25 39.92 2kcp s ASN 46 CO 0.00 -1.82 0.76 0.42 -2.04 0.00 0.00 177.10 174.42 2kcp s THR 47 N 7.30 4.46 -0.87 0.54 -4.23 -1.26 -4.98 115.64 116.59 2kcp s THR 47 Ca 0.78 1.50 0.25 0.00 -1.18 0.00 0.00 61.69 63.05 2kcp s THR 47 Cb -0.21 -3.98 0.04 0.00 1.34 0.00 0.00 72.50 69.69 2kcp s THR 47 CO 0.32 0.33 1.42 0.00 -0.54 0.00 0.00 174.62 176.15 2kcp n ALA 48 N 1.05 3.22 -3.39 3.99 0.00 -1.26 -4.68 120.51 119.45 2kcp n ALA 48 Ca -0.03 -0.29 -0.17 0.00 0.00 0.00 0.00 53.44 52.94 2kcp n ALA 48 Cb 0.50 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.69 2kcp n ALA 48 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kcp s ASN 49 N -3.43 1.56 0.87 0.00 2.47 -1.26 -5.16 114.94 109.99 2kcp s ASN 49 Ca 0.10 -0.93 -0.12 0.00 0.42 0.00 0.00 52.86 52.32 2kcp s ASN 49 Cb 0.16 0.52 0.11 0.00 -1.45 0.00 0.00 41.25 40.59 2kcp s ASN 49 CO 0.69 -0.36 1.10 -2.84 -3.72 0.00 0.00 177.10 171.97 2kcp s PRO 50 N 2.16 1.51 0.00 0.43 0.02 -1.26 -3.95 135.00 133.91 2kcp s PRO 50 Ca 0.11 0.64 0.00 0.00 0.02 0.00 0.00 61.00 61.77 2kcp s PRO 50 Cb -0.14 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.52 2kcp s PRO 50 CO -0.27 -2.02 0.00 0.72 -0.33 0.00 0.00 177.00 175.11 2kcp n HIS 51 N -3.70 0.00 -3.81 6.54 8.25 -1.26 -4.91 115.22 116.33 2kcp n HIS 51 Ca 0.07 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.24 2kcp n HIS 51 Cb 0.56 -0.32 -0.16 0.00 1.12 0.00 0.00 29.99 31.20 2kcp n HIS 51 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2kcp s PHE 52 N -1.58 1.75 0.28 4.41 5.36 -1.25 -5.05 117.98 121.89 2kcp s PHE 52 Ca 0.00 -1.44 0.00 0.00 -0.96 0.00 0.00 56.93 54.53 2kcp s PHE 52 Cb 0.00 -1.44 0.00 0.00 -0.34 0.00 0.00 43.02 41.24 2kcp s PHE 52 CO 0.00 -0.74 0.00 0.28 -1.46 0.00 0.00 175.22 173.30 2kcp n VAL 53 N 4.85 -3.67 -3.72 3.12 0.31 -1.26 -4.91 118.33 113.05 2kcp n VAL 53 Ca -0.08 1.48 -0.14 0.00 -0.01 0.00 0.00 64.34 65.59 2kcp n VAL 53 Cb 0.45 -2.16 -0.08 0.00 -0.91 0.00 0.00 33.84 31.14 2kcp n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kcp s ARG 54 N -4.01 0.74 -0.07 5.55 3.03 -1.26 -4.96 118.95 117.98 2kcp s ARG 54 Ca 0.00 -0.13 0.03 0.00 2.03 0.00 0.00 55.73 57.66 2kcp s ARG 54 Cb 0.00 0.33 -0.02 0.00 -1.03 0.00 0.00 34.95 34.23 2kcp s ARG 54 CO 0.00 -0.21 -0.14 0.50 -1.13 0.00 0.00 175.30 174.31 2kcp s ARG 55 N -1.37 2.68 0.00 3.89 3.52 -1.26 -5.02 118.95 121.39 2kcp s ARG 55 Ca -0.13 -0.70 0.03 0.00 -0.13 0.00 0.00 55.73 54.81 2kcp s ARG 55 Cb -0.04 -2.42 0.07 0.00 -1.56 0.00 0.00 34.95 30.99 2kcp s ARG 55 CO 0.05 0.54 0.88 0.27 -0.81 0.00 0.00 175.30 176.22 2kcp n ASN 56 N 2.56 1.85 -4.53 -2.12 0.23 -1.26 -4.59 115.26 107.40 2kcp n ASN 56 Ca -0.17 -1.63 -0.32 0.00 -0.53 0.00 0.00 54.58 51.92 2kcp n ASN 56 Cb 0.52 -0.04 -0.12 0.00 -2.08 0.00 0.00 39.78 38.06 2kcp n ASN 56 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 2kcp s ILE 57 N -0.69 3.29 -0.00 1.53 2.07 -1.26 -5.00 121.20 121.13 2kcp s ILE 57 Ca 0.06 -0.81 -0.29 0.00 -1.41 0.00 0.00 60.65 58.19 2kcp s ILE 57 Cb 0.03 -2.37 -0.03 0.00 0.13 0.00 0.00 42.46 40.22 2kcp s ILE 57 CO 0.05 0.47 0.95 -0.63 -1.91 0.00 0.00 174.94 173.86 2kcp s ILE 58 N -0.88 4.88 0.18 2.00 1.01 -1.26 -5.00 121.20 122.12 2kcp s ILE 58 Ca 0.14 1.99 -0.09 0.00 0.00 0.00 0.00 60.65 62.69 2kcp s ILE 58 Cb -0.11 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 2kcp s ILE 58 CO 0.04 0.18 0.30 0.28 0.00 0.00 0.00 174.94 175.74 2kcp s THR 59 N 0.94 0.05 0.24 2.92 -1.32 -1.26 -4.55 115.64 112.66 2kcp s THR 59 Ca 0.50 -1.44 -0.30 0.00 -1.21 0.00 0.00 61.69 59.24 2kcp s THR 59 Cb -0.21 -1.95 -0.10 0.00 -1.51 0.00 0.00 72.50 68.74 2kcp s THR 59 CO 0.27 -0.23 1.46 -0.60 -2.21 0.00 0.00 174.62 173.31 2kcp s ARG 60 N -3.99 4.25 0.00 7.08 3.52 -1.25 -2.36 118.95 126.20 2kcp s ARG 60 Ca 0.20 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 58.12 2kcp s ARG 60 Cb 0.03 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.31 2kcp s ARG 60 CO 0.02 -0.45 0.00 0.41 -0.81 0.00 0.00 175.30 174.47 2kcp n GLY 61 N 2.39 3.18 3.79 8.12 0.00 0.34 -4.99 105.19 118.02 2kcp n GLY 61 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.98 2.52 -0.23 4.61 0.00 -1.00 -4.70 121.76 119.98 2kcp s ALA 62 Ca 0.00 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.34 2kcp s ALA 62 Cb 0.00 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.90 2kcp s ALA 62 CO 0.00 -1.26 -0.13 0.08 0.00 0.00 0.00 175.76 174.45 2kcp s VAL 63 N -2.62 2.27 0.15 0.00 1.01 -1.26 -0.27 120.40 119.68 2kcp s VAL 63 Ca 0.63 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2kcp s VAL 63 Cb -0.17 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2kcp s VAL 63 CO 0.46 0.19 0.19 0.68 0.00 0.00 0.00 175.10 176.62 2kcp s VAL 64 N 1.20 4.80 -0.17 2.92 -7.23 0.12 -3.24 120.40 118.81 2kcp s VAL 64 Ca -0.03 -0.91 -0.17 0.00 -1.81 0.00 0.00 61.98 59.06 2kcp s VAL 64 Cb -0.17 -3.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 2kcp s VAL 64 CO -0.07 -0.08 0.45 -0.70 -0.31 0.00 0.00 175.10 174.38 2kcp s GLU 65 N -3.09 4.25 0.39 4.82 2.12 -0.24 -0.33 118.70 126.63 2kcp s GLU 65 Ca 0.32 0.33 0.04 0.00 0.36 0.00 0.00 54.97 56.02 2kcp s GLU 65 Cb -0.11 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 2kcp s GLU 65 CO 0.25 0.04 0.11 0.95 -0.54 0.00 0.00 175.26 176.07 2kcp s THR 66 N 1.04 0.71 0.41 -1.70 -4.23 0.12 0.48 115.64 112.47 2kcp s THR 66 Ca 0.23 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.94 2kcp s THR 66 Cb -0.15 -2.43 0.22 0.00 1.34 0.00 0.00 72.50 71.48 2kcp s THR 66 CO 0.09 0.00 1.99 -0.55 -0.54 0.00 0.00 174.62 175.61 2kcp h ASN 67 N 1.86 0.00 1.58 3.99 -1.07 -1.94 -1.92 115.58 118.08 2kcp h ASN 67 Ca -0.36 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 55.94 2kcp h ASN 67 Cb 1.27 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.51 2kcp h ASN 67 CO 0.59 0.19 -0.43 -0.07 0.07 0.00 0.00 177.43 177.78 2kcp h LEU 68 N 0.00 0.00 0.00 6.14 3.38 -1.96 -3.50 115.31 119.36 2kcp h LEU 68 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kcp h LEU 68 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2kcp h LEU 68 CO 0.02 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2kcp n GLY 69 N 1.19 0.73 3.72 0.83 0.00 -0.72 -5.06 105.19 105.88 2kcp n GLY 69 Ca 0.02 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 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 7.06 -0.14 1.61 0.02 -1.20 0.12 114.94 118.41 2kcp s ASN 70 Ca 0.00 1.27 0.01 0.00 -1.02 0.00 0.00 52.86 53.12 2kcp s ASN 70 Cb 0.00 -2.43 0.02 0.00 0.02 0.00 0.00 41.25 38.86 2kcp s ASN 70 CO 0.00 -0.09 -0.17 -0.69 0.02 0.00 0.00 177.10 176.18 2kcp s VAL 71 N 0.58 1.71 -0.41 1.60 1.01 0.55 0.04 120.40 125.47 2kcp s VAL 71 Ca 0.38 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 61.38 2kcp s VAL 71 Cb -0.19 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2kcp s VAL 71 CO 0.20 0.48 0.85 -0.60 0.00 0.00 0.00 175.10 176.03 2kcp s ARG 72 N 1.21 3.63 0.12 2.72 3.52 0.72 -0.70 118.95 130.16 2kcp s ARG 72 Ca -0.00 0.22 -0.31 0.00 -0.13 0.00 0.00 55.73 55.51 2kcp s ARG 72 Cb -0.14 -3.87 -0.09 0.00 -1.56 0.00 0.00 34.95 29.29 2kcp s ARG 72 CO -0.07 -1.04 1.64 0.08 -0.81 0.00 0.00 175.30 175.11 2kcp s VAL 73 N 3.40 2.79 -0.19 7.11 1.01 0.62 -0.38 120.40 134.77 2kcp s VAL 73 Ca 0.34 0.41 0.11 0.00 0.00 0.00 0.00 61.98 62.84 2kcp s VAL 73 Cb -0.12 -3.26 -0.19 0.00 0.00 0.00 0.00 36.38 32.81 2kcp s VAL 73 CO 0.21 0.01 -0.02 0.35 0.00 0.00 0.00 175.10 175.66 2kcp n THR 74 N 4.41 1.20 -2.67 3.92 -2.24 0.21 -0.50 114.28 118.62 2kcp n THR 74 Ca 0.15 -0.65 -0.16 0.00 -2.27 0.00 0.00 64.05 61.12 2kcp n THR 74 Cb 0.39 -0.77 0.08 0.00 -2.10 0.00 0.00 70.33 67.93 2kcp n THR 74 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2kcp n SER 75 N -2.79 1.16 -4.14 3.42 2.88 -0.94 -4.82 113.62 108.38 2kcp n SER 75 Ca -0.31 -1.92 -0.31 0.00 -1.33 0.00 0.00 58.87 55.00 2kcp n SER 75 Cb 1.02 -0.42 -0.17 0.00 -0.75 0.00 0.00 64.21 63.89 2kcp n SER 75 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2kcp s ARG 76 N -4.23 2.71 -0.81 -1.46 6.06 -1.26 -3.78 118.95 116.19 2kcp s ARG 76 Ca 0.47 -0.75 -0.29 0.00 -2.50 0.00 0.00 55.73 52.67 2kcp s ARG 76 Cb -0.03 -2.20 -0.17 0.00 0.06 0.00 0.00 34.95 32.62 2kcp s ARG 76 CO 0.31 0.00 2.58 -2.30 -2.50 0.00 0.00 175.30 173.39 2kcp n PRO 77 N 4.02 0.39 0.00 5.12 -0.02 -1.26 -2.05 135.00 141.19 2kcp n PRO 77 Ca -0.20 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 2kcp n PRO 77 Cb 0.52 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2kcp n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kcp n GLY 78 N 6.30 0.98 3.56 -1.23 0.00 -1.26 -4.99 105.19 108.55 2kcp n GLY 78 Ca 0.55 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.16 2kcp n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kcp n GLN 79 N 0.00 1.39 -1.65 1.61 1.13 -0.87 -1.78 117.38 117.21 2kcp n GLN 79 Ca 0.00 0.25 -0.18 0.00 -1.94 0.00 0.00 57.00 55.13 2kcp n GLN 79 Cb 0.00 -3.18 -0.07 0.00 0.11 0.00 0.00 30.24 27.10 2kcp n GLN 79 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2kcp n ASP 80 N 13.32 -4.77 -0.43 1.08 8.00 -1.26 -1.37 116.55 131.11 2kcp n ASP 80 Ca 0.36 0.38 -0.06 0.00 0.71 0.00 0.00 54.79 56.19 2kcp n ASP 80 Cb 0.45 -4.24 -0.02 0.00 -0.02 0.00 0.00 41.12 37.29 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 -0.42 0.81 3.13 0.44 0.00 -0.73 -5.03 105.19 103.39 2kcp n GLY 81 Ca -0.18 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.19 0.15 0.02 1.61 0.11 -0.47 -4.24 120.40 115.40 2kcp s VAL 82 Ca 0.00 -1.87 0.08 0.00 -2.93 0.00 0.00 61.98 57.26 2kcp s VAL 82 Cb 0.00 -1.84 -0.02 0.00 -1.53 0.00 0.00 36.38 32.99 2kcp s VAL 82 CO 0.00 -0.68 -0.24 -0.63 -3.33 0.00 0.00 175.10 170.22 2kcp s ILE 83 N -3.99 1.95 0.18 7.04 1.01 -1.26 -3.91 121.20 122.22 2kcp s ILE 83 Ca 0.17 -1.23 0.11 0.00 0.00 0.00 0.00 60.65 59.71 2kcp s ILE 83 Cb 0.08 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 2kcp s ILE 83 CO -0.03 0.39 -0.24 0.20 0.00 0.00 0.00 174.94 175.26 2kcp s ASN 84 N -1.01 3.44 0.33 3.58 -0.87 -1.26 -0.15 114.94 119.00 2kcp s ASN 84 Ca 0.10 -0.82 -0.18 0.00 -1.57 0.00 0.00 52.86 50.39 2kcp s ASN 84 Cb -0.09 -0.27 0.06 0.00 -0.02 0.00 0.00 41.25 40.92 2kcp s ASN 84 CO 0.01 0.14 0.84 -0.83 -2.57 0.00 0.00 177.10 174.69 2kcp s GLY 85 N -2.51 0.26 -0.05 0.66 0.00 0.14 -0.62 107.32 105.21 2kcp s GLY 85 Ca 0.19 -0.60 0.05 0.00 0.00 0.00 0.00 44.72 44.36 2kcp s GLY 85 CO 0.09 0.28 -0.19 0.14 0.00 0.00 0.00 173.10 173.42 2kcp s VAL 86 N -2.44 2.67 -0.56 1.40 1.01 0.49 -0.21 120.40 122.77 2kcp s VAL 86 Ca 0.16 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 2kcp s VAL 86 Cb -0.05 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.34 2kcp s VAL 86 CO 0.10 0.58 1.25 -0.22 0.00 0.00 0.00 175.10 176.80 2kcp s LEU 87 N -0.57 3.47 0.51 3.92 2.96 -0.08 -0.20 118.68 128.69 2kcp s LEU 87 Ca 0.08 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 2kcp s LEU 87 Cb -0.11 -3.21 -0.00 0.00 0.50 0.00 0.00 46.19 43.37 2kcp s LEU 87 CO 0.01 -1.51 0.02 0.27 -1.32 0.00 0.00 176.35 173.82 2kcp s ILE 88 N 5.17 0.93 -0.23 6.68 -4.36 0.11 -4.32 121.20 125.18 2kcp s ILE 88 Ca 0.47 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.88 2kcp s ILE 88 Cb -0.08 -2.05 0.05 0.00 1.25 0.00 0.00 42.46 41.63 2kcp s ILE 88 CO 0.26 0.00 -0.13 -0.13 0.24 0.00 0.00 174.94 175.18 2kcp s ARG 89 N -3.87 2.42 0.00 0.37 3.00 -1.26 -3.23 118.95 116.37 2kcp s ARG 89 Ca 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 55.73 54.63 2kcp s ARG 89 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 34.95 32.22 2kcp s ARG 89 CO 0.02 -0.45 0.00 0.39 0.00 0.00 0.00 175.30 175.26 2kcp n GLU 90 N 4.52 0.00 -2.15 3.54 -0.58 -1.26 -5.07 120.64 119.64 2kcp n GLU 90 Ca -0.16 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.47 2kcp n GLU 90 Cb 0.45 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.35 2kcp n GLU 90 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2kcp n LEU 91 N -2.15 0.00 -4.74 -4.62 4.77 -1.26 -5.08 117.00 103.92 2kcp n LEU 91 Ca 0.00 -1.41 -0.41 0.00 -0.03 0.00 0.00 56.01 54.16 2kcp n LEU 91 Cb 0.00 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2kcp n LEU 91 CO 0.00 -0.60 0.91 -1.61 -1.33 0.00 0.00 177.39 174.75 2kcp s GLU 92 N -3.44 4.47 -0.01 3.23 2.02 -1.26 -4.95 118.70 118.75 2kcp s GLU 92 Ca 0.33 1.94 0.19 0.00 0.02 0.00 0.00 54.97 57.45 2kcp s GLU 92 Cb -0.03 -3.21 -0.25 0.00 0.10 0.00 0.00 34.13 30.74 2kcp s GLU 92 CO 0.21 -0.11 0.64 0.72 0.02 0.00 0.00 175.26 176.74 2kcp n HIS 93 N 2.30 0.00 -1.38 1.61 8.25 -1.26 -5.01 115.22 119.73 2kcp n HIS 93 Ca 0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.16 2kcp n HIS 93 Cb 0.44 -0.20 0.10 0.00 1.12 0.00 0.00 29.99 31.45 2kcp n HIS 93 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kcp s HIS 94 N -3.04 2.01 -0.14 4.41 -3.43 -1.26 -4.89 115.29 108.95 2kcp s HIS 94 Ca 0.01 1.61 -0.29 0.00 -0.80 0.00 0.00 55.06 55.59 2kcp s HIS 94 Cb 0.14 -3.48 -0.06 0.00 -1.43 0.00 0.00 32.58 27.75 2kcp s HIS 94 CO 0.80 -2.67 2.04 -1.01 -2.00 0.00 0.00 174.74 171.90 2kcp s HIS 95 N -2.00 1.35 0.00 0.38 3.76 -1.26 -4.92 115.29 112.61 2kcp s HIS 95 Ca 0.74 0.21 0.00 0.00 -0.15 0.00 0.00 55.06 55.86 2kcp s HIS 95 Cb -0.29 -4.05 0.00 0.00 1.11 0.00 0.00 32.58 29.35 2kcp s HIS 95 CO 0.46 -4.40 0.76 0.72 -0.85 0.00 0.00 174.74 171.44 2kcp n HIS 96 N 9.82 0.00 -2.81 1.40 -0.00 -1.26 -4.26 115.22 118.12 2kcp n HIS 96 Ca 0.25 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.54 2kcp n HIS 96 Cb 0.44 -0.26 -0.04 0.00 -0.00 0.00 0.00 29.99 30.12 2kcp n HIS 96 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kcp s HIS 97 N -2.06 2.74 0.00 4.41 -3.43 -1.26 -5.25 115.29 110.44 2kcp s HIS 97 Ca 0.00 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.21 2kcp s HIS 97 Cb 0.00 -4.16 0.00 0.00 -1.43 0.00 0.00 32.58 26.99 2kcp s HIS 97 CO 0.00 -1.44 0.19 -2.39 -2.00 0.00 0.00 174.74 169.11