#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 4.24 0.06 1.61 -4.77 -1.26 -5.10 116.67 111.45 2kcp s ASP 2 Ca 0.00 1.20 -0.23 0.00 -3.30 0.00 0.00 52.55 50.22 2kcp s ASP 2 Cb 0.00 -1.89 0.05 0.00 -1.09 0.00 0.00 42.92 40.00 2kcp s ASP 2 CO 0.00 -2.12 0.53 0.00 0.70 0.00 0.00 175.17 174.29 2kcp s ARG 3 N -5.20 1.06 -0.29 2.11 3.03 -1.26 -5.16 118.95 113.24 2kcp s ARG 3 Ca 0.62 -0.25 -0.01 0.00 2.03 0.00 0.00 55.73 58.11 2kcp s ARG 3 Cb -0.14 0.49 0.19 0.00 -1.03 0.00 0.00 34.95 34.46 2kcp s ARG 3 CO 0.54 -0.39 0.72 0.50 -1.13 0.00 0.00 175.30 175.53 2kcp s ARG 4 N -2.58 0.45 0.13 3.89 3.52 -1.26 -5.15 118.95 117.95 2kcp s ARG 4 Ca -0.05 0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 55.83 2kcp s ARG 4 Cb -0.01 0.29 -0.07 0.00 -1.56 0.00 0.00 34.95 33.61 2kcp s ARG 4 CO -0.03 -0.71 1.23 0.14 -0.81 0.00 0.00 175.30 175.12 2kcp s VAL 5 N 2.87 3.70 -0.39 7.11 -7.23 -1.26 -5.02 120.40 120.18 2kcp s VAL 5 Ca 0.15 1.30 0.03 0.00 -1.81 0.00 0.00 61.98 61.65 2kcp s VAL 5 Cb -0.10 -3.83 0.11 0.00 0.56 0.00 0.00 36.38 33.12 2kcp s VAL 5 CO -0.23 0.15 0.14 -0.13 -0.31 0.00 0.00 175.10 174.72 2kcp s ARG 6 N 0.49 1.39 0.00 4.82 1.81 -1.26 -4.92 118.95 121.29 2kcp s ARG 6 Ca 0.57 -1.90 0.23 0.00 -1.72 0.00 0.00 55.73 52.91 2kcp s ARG 6 Cb -0.32 -2.82 0.09 0.00 -0.45 0.00 0.00 34.95 31.45 2kcp s ARG 6 CO 0.33 -1.03 1.14 1.28 -0.68 0.00 0.00 175.30 176.34 2kcp n LEU 7 N 3.99 1.74 -4.56 2.53 7.99 -1.26 -4.87 117.00 122.57 2kcp n LEU 7 Ca 0.04 -0.64 -0.23 0.00 -0.01 0.00 0.00 56.01 55.17 2kcp n LEU 7 Cb 0.38 -0.02 -0.06 0.00 -0.11 0.00 0.00 43.42 43.62 2kcp n LEU 7 CO 0.23 0.33 1.35 -0.51 -1.51 0.00 0.00 177.39 177.28 2kcp s ILE 8 N -2.55 3.23 -0.21 -0.08 1.10 -1.26 -4.94 121.20 116.48 2kcp s ILE 8 Ca 0.18 -0.15 -0.08 0.00 -0.51 0.00 0.00 60.65 60.09 2kcp s ILE 8 Cb 0.18 -3.52 -0.04 0.00 0.15 0.00 0.00 42.46 39.23 2kcp s ILE 8 CO 0.60 -0.49 0.08 -0.13 -2.11 0.00 0.00 174.94 172.89 2kcp s ARG 9 N 7.89 3.88 0.29 3.50 1.81 -1.26 -5.10 118.95 129.96 2kcp s ARG 9 Ca 0.81 -0.38 -0.28 0.00 -1.72 0.00 0.00 55.73 54.16 2kcp s ARG 9 Cb -0.10 -3.28 -0.09 0.00 -0.45 0.00 0.00 34.95 31.02 2kcp s ARG 9 CO 0.06 0.10 0.95 -0.08 -0.68 0.00 0.00 175.30 175.65 2kcp s THR 10 N 0.86 4.10 -0.05 0.02 -1.32 -1.26 -5.07 115.64 112.93 2kcp s THR 10 Ca 0.04 1.89 0.01 0.00 -1.21 0.00 0.00 61.69 62.42 2kcp s THR 10 Cb -0.14 -4.11 0.02 0.00 -1.51 0.00 0.00 72.50 66.76 2kcp s THR 10 CO 0.03 0.28 -0.04 -0.60 -2.21 0.00 0.00 174.62 172.08 2kcp s ARG 11 N -1.71 0.77 0.00 7.08 3.52 -1.26 -5.13 118.95 122.22 2kcp s ARG 11 Ca 0.47 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 2kcp s ARG 11 Cb -0.22 -0.83 0.00 0.00 -1.56 0.00 0.00 34.95 32.34 2kcp s ARG 11 CO 0.28 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 175.07 2kcp n GLY 12 N 4.17 3.11 0.00 8.12 0.00 -1.26 -5.14 105.19 114.19 2kcp n GLY 12 Ca -0.23 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.76 -1.19 3.70 -0.02 0.00 -1.26 -5.19 105.19 100.47 2kcp n GLY 13 Ca 0.00 0.79 -0.26 0.00 0.00 0.00 0.00 46.02 46.54 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 4.21 -0.00 1.61 -0.87 -1.26 -5.16 114.94 113.47 2kcp s ASN 14 Ca 0.00 -1.23 0.01 0.00 -1.57 0.00 0.00 52.86 50.08 2kcp s ASN 14 Cb 0.00 -0.37 -0.00 0.00 -0.02 0.00 0.00 41.25 40.86 2kcp s ASN 14 CO 0.00 -0.54 -0.04 -0.89 -2.57 0.00 0.00 177.10 173.06 2kcp s THR 15 N -2.66 0.30 0.60 1.60 2.01 -1.26 -5.15 115.64 111.07 2kcp s THR 15 Ca 0.37 -0.17 -0.18 0.00 0.31 0.00 0.00 61.69 62.02 2kcp s THR 15 Cb 0.06 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 2kcp s THR 15 CO 0.20 0.08 1.17 -0.54 -0.69 0.00 0.00 174.62 174.84 2kcp s LYS 16 N -0.10 3.01 0.30 4.92 1.02 -1.26 -5.01 119.74 122.62 2kcp s LYS 16 Ca 0.01 1.69 -0.27 0.00 0.02 0.00 0.00 55.97 57.42 2kcp s LYS 16 Cb -0.02 -1.95 -0.10 0.00 -0.52 0.00 0.00 37.83 35.25 2kcp s LYS 16 CO -0.00 -1.14 0.94 0.08 -0.92 0.00 0.00 175.35 174.30 2kcp s VAL 17 N -1.79 4.19 0.27 3.17 1.01 -1.26 -4.94 120.40 121.05 2kcp s VAL 17 Ca 0.74 1.87 0.31 0.00 0.00 0.00 0.00 61.98 64.90 2kcp s VAL 17 Cb -0.27 -4.08 0.31 0.00 0.00 0.00 0.00 36.38 32.35 2kcp s VAL 17 CO 0.33 0.23 1.95 0.08 0.00 0.00 0.00 175.10 177.69 2kcp h ARG 18 N 3.41 0.00 -0.79 2.72 -0.00 -1.95 -3.38 114.38 114.39 2kcp h ARG 18 Ca -0.46 0.00 0.12 0.00 -0.00 0.00 0.00 59.98 59.64 2kcp h ARG 18 Cb 1.19 0.00 -0.21 0.00 -0.00 0.00 0.00 29.97 30.96 2kcp h ARG 18 CO 0.66 0.00 -0.18 -1.17 -0.00 0.00 0.00 179.97 179.28 2kcp s LEU 19 N -5.27 -1.15 -0.12 0.08 0.20 -1.26 -4.55 118.68 106.61 2kcp s LEU 19 Ca -0.03 0.54 0.14 0.00 0.69 0.00 0.00 54.13 55.46 2kcp s LEU 19 Cb 0.09 1.89 0.31 0.00 -0.43 0.00 0.00 46.19 48.05 2kcp s LEU 19 CO 0.28 -0.21 1.15 0.00 -0.29 0.00 0.00 176.35 177.28 2kcp n ALA 20 N 5.41 2.70 -0.56 5.97 0.00 -1.26 -4.95 120.51 127.81 2kcp n ALA 20 Ca -0.00 -2.58 0.00 0.00 0.00 0.00 0.00 53.44 50.86 2kcp n ALA 20 Cb 0.53 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2kcp n ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kcp n SER 21 N -0.88 0.00 -3.45 0.00 2.88 -1.26 -5.14 113.62 105.78 2kcp n SER 21 Ca 0.13 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.50 2kcp n SER 21 Cb 0.73 0.17 -0.07 0.00 -0.75 0.00 0.00 64.21 64.28 2kcp n SER 21 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2kcp s ASP 22 N 0.27 1.29 -0.36 -3.46 1.47 -1.26 -5.14 116.67 109.47 2kcp s ASP 22 Ca 0.00 -1.64 -0.12 0.00 1.18 0.00 0.00 52.55 51.97 2kcp s ASP 22 Cb 0.00 0.56 0.01 0.00 -0.34 0.00 0.00 42.92 43.15 2kcp s ASP 22 CO 0.00 -1.09 0.24 0.42 0.68 0.00 0.00 175.17 175.42 2kcp s THR 23 N -3.46 4.99 0.12 2.11 -4.23 -1.26 -5.02 115.64 108.89 2kcp s THR 23 Ca 0.38 -0.55 -0.05 0.00 -1.18 0.00 0.00 61.69 60.29 2kcp s THR 23 Cb 0.02 -3.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.16 2kcp s THR 23 CO 0.24 -0.14 0.15 -0.13 -0.54 0.00 0.00 174.62 174.19 2kcp s ARG 24 N 1.65 0.94 -0.09 3.99 0.52 -1.26 -1.49 118.95 123.21 2kcp s ARG 24 Ca 0.04 -1.22 -0.14 0.00 -0.52 0.00 0.00 55.73 53.89 2kcp s ARG 24 Cb -0.18 0.30 0.03 0.00 0.52 0.00 0.00 34.95 35.62 2kcp s ARG 24 CO 0.09 -0.29 0.36 -1.50 0.02 0.00 0.00 175.30 173.98 2kcp s ILE 25 N -3.97 0.02 -0.56 1.52 2.07 0.60 -4.67 121.20 116.22 2kcp s ILE 25 Ca 0.15 -0.16 -0.27 0.00 -1.41 0.00 0.00 60.65 58.96 2kcp s ILE 25 Cb 0.06 -0.57 -0.00 0.00 0.13 0.00 0.00 42.46 42.07 2kcp s ILE 25 CO -0.03 -0.09 1.64 0.20 -1.91 0.00 0.00 174.94 174.74 2kcp s ASN 26 N -0.37 5.76 -0.37 4.50 -0.87 0.06 -1.07 114.94 122.57 2kcp s ASN 26 Ca -0.05 0.40 -0.20 0.00 -1.57 0.00 0.00 52.86 51.44 2kcp s ASN 26 Cb -0.03 -2.54 0.01 0.00 -0.02 0.00 0.00 41.25 38.66 2kcp s ASN 26 CO 0.02 -1.98 0.63 -0.69 -2.57 0.00 0.00 177.10 172.51 2kcp s VAL 27 N 7.34 4.89 -0.38 1.60 1.01 0.82 -1.56 120.40 134.12 2kcp s VAL 27 Ca 0.61 0.47 -0.17 0.00 0.00 0.00 0.00 61.98 62.89 2kcp s VAL 27 Cb -0.13 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2kcp s VAL 27 CO 0.24 -0.36 0.45 -0.69 0.00 0.00 0.00 175.10 174.74 2kcp s VAL 28 N 2.71 5.07 -0.25 2.92 1.01 0.39 -1.00 120.40 131.25 2kcp s VAL 28 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 2kcp s VAL 28 Cb -0.14 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.28 2kcp s VAL 28 CO 0.16 -0.28 1.11 -0.62 0.00 0.00 0.00 175.10 175.47 2kcp s ASP 29 N 1.79 7.00 0.00 3.32 2.15 0.59 -1.53 116.67 129.98 2kcp s ASP 29 Ca 0.15 1.34 0.30 0.00 0.43 0.00 0.00 52.55 54.77 2kcp s ASP 29 Cb -0.16 -2.54 1.58 0.00 -0.30 0.00 0.00 42.92 41.49 2kcp s ASP 29 CO 0.13 -0.77 2.05 -0.81 -0.17 0.00 0.00 175.17 175.60 2kcp n PRO 30 N 6.59 0.97 0.01 4.34 -0.04 -1.26 -0.88 135.00 144.73 2kcp n PRO 30 Ca 0.13 -0.21 -0.21 0.00 -0.04 0.00 0.00 63.50 63.17 2kcp n PRO 30 Cb 0.46 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 2kcp n PRO 30 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kcp h GLU 31 N 0.51 0.25 0.00 0.54 5.08 -1.91 -3.42 114.58 115.63 2kcp h GLU 31 Ca 0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2kcp h GLU 31 Cb 0.19 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2kcp h GLU 31 CO 0.00 1.20 -0.11 0.25 -1.00 0.00 0.00 179.01 179.36 2kcp n THR 32 N -3.97 0.00 -1.01 1.13 -2.24 -1.25 -5.04 114.28 101.90 2kcp n THR 32 Ca -0.23 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2kcp n THR 32 Cb 0.88 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 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 0.94 0.71 3.86 3.38 0.00 -0.06 -5.07 105.19 108.95 2kcp n GLY 33 Ca 0.00 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.17 3.81 -0.09 1.61 -2.85 -1.23 -4.85 119.74 113.98 2kcp s LYS 34 Ca 0.00 0.25 0.03 0.00 -1.00 0.00 0.00 55.97 55.25 2kcp s LYS 34 Cb 0.00 -2.95 -0.01 0.00 -2.06 0.00 0.00 37.83 32.80 2kcp s LYS 34 CO 0.00 0.52 -0.18 0.08 0.10 0.00 0.00 175.35 175.87 2kcp s VAL 35 N -1.45 2.65 -0.08 1.79 1.01 -1.26 -0.30 120.40 122.76 2kcp s VAL 35 Ca 0.35 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 2kcp s VAL 35 Cb -0.14 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.21 2kcp s VAL 35 CO 0.19 0.55 0.27 -0.70 0.00 0.00 0.00 175.10 175.41 2kcp s GLU 36 N 0.04 0.41 -0.43 2.72 2.56 -0.17 -4.97 118.70 118.87 2kcp s GLU 36 Ca -0.07 0.19 -0.24 0.00 0.00 0.00 0.00 54.97 54.85 2kcp s GLU 36 Cb -0.15 0.19 0.02 0.00 2.00 0.00 0.00 34.13 36.19 2kcp s GLU 36 CO 0.05 -0.08 0.86 0.42 -0.56 0.00 0.00 175.26 175.96 2kcp s ILE 37 N -0.31 4.58 0.18 -3.70 1.01 -1.26 -0.13 121.20 121.58 2kcp s ILE 37 Ca -0.04 0.75 0.07 0.00 0.00 0.00 0.00 60.65 61.43 2kcp s ILE 37 Cb -0.03 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2kcp s ILE 37 CO 0.01 -0.69 0.01 0.00 0.00 0.00 0.00 174.94 174.27 2kcp s ALA 38 N 3.48 3.23 -0.19 9.38 0.00 -0.23 -4.87 121.76 132.56 2kcp s ALA 38 Ca 0.34 -1.38 -0.24 0.00 0.00 0.00 0.00 51.96 50.68 2kcp s ALA 38 Cb -0.11 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 2kcp s ALA 38 CO 0.23 0.46 0.79 -1.21 0.00 0.00 0.00 175.76 176.03 2kcp s GLU 39 N -3.03 4.25 -0.22 0.00 8.01 -1.26 -0.29 118.70 126.16 2kcp s GLU 39 Ca 0.28 0.92 -0.29 0.00 0.01 0.00 0.00 54.97 55.89 2kcp s GLU 39 Cb -0.09 -3.59 -0.02 0.00 -4.31 0.00 0.00 34.13 26.12 2kcp s GLU 39 CO 0.19 -0.36 1.42 0.42 0.01 0.00 0.00 175.26 176.94 2kcp s ILE 40 N 2.28 3.99 -0.13 -1.63 1.01 -0.55 -2.19 121.20 123.98 2kcp s ILE 40 Ca 0.36 1.14 -0.16 0.00 0.00 0.00 0.00 60.65 61.98 2kcp s ILE 40 Cb -0.16 -3.92 -0.14 0.00 0.01 0.00 0.00 42.46 38.24 2kcp s ILE 40 CO 0.11 -0.30 0.40 0.03 0.00 0.00 0.00 174.94 175.17 2kcp h ARG 41 N 9.50 0.00 -3.57 2.79 3.08 -1.14 -3.45 114.38 121.59 2kcp h ARG 41 Ca -0.30 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.63 2kcp h ARG 41 Cb 1.12 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.99 2kcp h ARG 41 CO 1.00 0.57 -0.45 -0.80 -1.07 0.00 0.00 179.97 179.22 2kcp s ASN 42 N -5.98 0.05 -0.04 7.04 0.01 -1.11 -5.03 114.94 109.89 2kcp s ASN 42 Ca -0.12 -0.33 0.11 0.00 -0.71 0.00 0.00 52.86 51.81 2kcp s ASN 42 Cb -0.01 0.24 0.39 0.00 0.41 0.00 0.00 41.25 42.28 2kcp s ASN 42 CO 0.39 -0.47 1.26 0.55 -1.51 0.00 0.00 177.10 177.32 2kcp n VAL 43 N 1.01 0.84 -1.84 1.60 3.14 -1.26 -1.81 118.33 120.00 2kcp n VAL 43 Ca -0.20 -0.61 -0.36 0.00 -2.96 0.00 0.00 64.34 60.20 2kcp n VAL 43 Cb 0.57 0.07 -0.03 0.00 -1.06 0.00 0.00 33.84 33.39 2kcp n VAL 43 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2kcp s VAL 44 N -1.62 3.21 -0.02 1.55 0.11 -1.26 -4.79 120.40 117.59 2kcp s VAL 44 Ca 0.28 0.09 0.12 0.00 -2.93 0.00 0.00 61.98 59.54 2kcp s VAL 44 Cb 0.17 -3.56 -0.18 0.00 -1.53 0.00 0.00 36.38 31.28 2kcp s VAL 44 CO 0.15 -0.54 0.94 1.05 -3.33 0.00 0.00 175.10 173.37 2kcp h GLU 45 N 16.52 0.00 0.00 1.54 -0.00 -1.88 -3.41 114.58 127.35 2kcp h GLU 45 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.13 2kcp h GLU 45 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.94 2kcp h GLU 45 CO 1.19 0.60 0.00 0.27 -0.00 0.00 0.00 179.01 181.07 2kcp n ASN 46 N -3.12 0.00 -4.69 3.06 0.23 -1.26 -4.67 115.26 104.81 2kcp n ASN 46 Ca -0.09 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.64 2kcp n ASN 46 Cb 0.95 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.79 2kcp n ASN 46 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2kcp s THR 47 N -0.35 2.13 -0.62 5.53 -1.32 -1.26 -4.95 115.64 114.81 2kcp s THR 47 Ca 0.00 0.05 0.23 0.00 -1.21 0.00 0.00 61.69 60.76 2kcp s THR 47 Cb 0.00 -2.30 -0.08 0.00 -1.51 0.00 0.00 72.50 68.61 2kcp s THR 47 CO 0.00 -0.05 1.08 0.00 -2.21 0.00 0.00 174.62 173.45 2kcp n ALA 48 N -3.67 3.30 -3.58 11.08 0.00 -1.26 -5.01 120.51 121.38 2kcp n ALA 48 Ca 0.13 -0.37 -0.23 0.00 0.00 0.00 0.00 53.44 52.96 2kcp n ALA 48 Cb 0.51 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 19.00 2kcp n ALA 48 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kcp n ASN 49 N -1.99 -4.10 0.11 0.00 2.85 -1.26 -4.93 115.26 105.94 2kcp n ASN 49 Ca 0.02 -0.86 -0.01 0.00 -0.11 0.00 0.00 54.58 53.62 2kcp n ASN 49 Cb 0.44 -4.11 -0.02 0.00 1.24 0.00 0.00 39.78 37.32 2kcp n ASN 49 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2kcp h PRO 50 N -1.68 0.00 -4.49 1.20 0.11 -2.04 -3.45 132.00 121.65 2kcp h PRO 50 Ca -0.63 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.01 2kcp h PRO 50 Cb 1.35 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 32.13 2kcp h PRO 50 CO 0.50 0.65 -0.80 -1.01 -0.21 0.00 0.00 178.00 177.14 2kcp s HIS 51 N -2.88 1.15 -1.26 0.65 3.76 -1.26 -5.07 115.29 110.39 2kcp s HIS 51 Ca 0.03 -0.36 -0.17 0.00 -0.15 0.00 0.00 55.06 54.40 2kcp s HIS 51 Cb 0.08 -0.86 -0.00 0.00 1.11 0.00 0.00 32.58 32.91 2kcp s HIS 51 CO 0.77 -0.19 2.04 1.19 -0.85 0.00 0.00 174.74 177.69 2kcp n PHE 52 N 3.66 3.38 0.00 1.40 3.72 -1.26 -4.03 117.46 124.32 2kcp n PHE 52 Ca -0.22 -2.58 0.00 0.00 -0.05 0.00 0.00 57.45 54.60 2kcp n PHE 52 Cb 0.52 -2.41 0.00 0.00 -0.94 0.00 0.00 39.48 36.66 2kcp n PHE 52 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 2kcp n VAL 53 N 5.79 0.00 -2.64 -4.37 3.14 -1.26 -5.06 118.33 113.93 2kcp n VAL 53 Ca 0.50 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.46 2kcp n VAL 53 Cb 0.41 0.10 -0.02 0.00 -1.06 0.00 0.00 33.84 33.27 2kcp n VAL 53 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2kcp s ARG 54 N -1.36 4.39 -1.10 1.45 3.52 -1.26 -4.97 118.95 119.62 2kcp s ARG 54 Ca 0.00 1.43 -0.22 0.00 -0.13 0.00 0.00 55.73 56.82 2kcp s ARG 54 Cb 0.00 -3.56 0.05 0.00 -1.56 0.00 0.00 34.95 29.88 2kcp s ARG 54 CO 0.00 -0.39 1.55 0.50 -0.81 0.00 0.00 175.30 176.15 2kcp s ARG 55 N 2.24 3.67 -0.51 5.12 3.52 -1.26 -4.96 118.95 126.78 2kcp s ARG 55 Ca 0.49 -1.36 -0.27 0.00 -0.13 0.00 0.00 55.73 54.46 2kcp s ARG 55 Cb -0.19 -5.40 -0.02 0.00 -1.56 0.00 0.00 34.95 27.78 2kcp s ARG 55 CO 0.17 -2.27 1.81 -0.80 -0.81 0.00 0.00 175.30 173.41 2kcp s ASN 56 N 4.84 5.54 -0.00 -2.12 0.01 -1.26 -4.96 114.94 116.99 2kcp s ASN 56 Ca 0.49 0.69 -0.03 0.00 -0.71 0.00 0.00 52.86 53.30 2kcp s ASN 56 Cb 0.01 -2.53 -0.00 0.00 0.41 0.00 0.00 41.25 39.14 2kcp s ASN 56 CO -0.04 -2.10 0.05 -0.51 -1.51 0.00 0.00 177.10 172.99 2kcp s ILE 57 N 8.15 0.06 -0.23 0.60 2.07 -1.26 -5.08 121.20 125.50 2kcp s ILE 57 Ca 0.71 -0.47 -0.29 0.00 -1.41 0.00 0.00 60.65 59.20 2kcp s ILE 57 Cb -0.16 -0.24 -0.04 0.00 0.13 0.00 0.00 42.46 42.16 2kcp s ILE 57 CO 0.26 -0.26 1.91 -0.63 -1.91 0.00 0.00 174.94 174.31 2kcp s ILE 58 N -0.80 3.33 0.20 2.00 -1.09 -1.26 -4.97 121.20 118.62 2kcp s ILE 58 Ca -0.09 0.36 -0.09 0.00 -2.23 0.00 0.00 60.65 58.60 2kcp s ILE 58 Cb -0.05 -3.40 -0.01 0.00 -1.58 0.00 0.00 42.46 37.42 2kcp s ILE 58 CO 0.00 -0.22 0.33 0.28 -1.23 0.00 0.00 174.94 174.10 2kcp s THR 59 N 6.72 0.03 0.14 2.92 -1.32 -1.26 -4.47 115.64 118.40 2kcp s THR 59 Ca 0.85 -1.48 -0.31 0.00 -1.21 0.00 0.00 61.69 59.54 2kcp s THR 59 Cb -0.28 -2.06 -0.10 0.00 -1.51 0.00 0.00 72.50 68.54 2kcp s THR 59 CO 0.34 -0.15 1.70 -0.60 -2.21 0.00 0.00 174.62 173.71 2kcp s ARG 60 N -4.01 4.17 0.00 7.08 3.52 -1.26 -1.72 118.95 126.72 2kcp s ARG 60 Ca 0.22 2.48 0.00 0.00 -0.13 0.00 0.00 55.73 58.30 2kcp s ARG 60 Cb 0.03 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 2kcp s ARG 60 CO 0.05 -0.74 0.00 0.41 -0.81 0.00 0.00 175.30 174.21 2kcp n GLY 61 N 4.01 3.38 3.71 8.12 0.00 0.14 -4.99 105.19 119.56 2kcp n GLY 61 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.95 3.42 -0.34 4.61 0.00 -0.70 -4.74 121.76 121.05 2kcp s ALA 62 Ca 0.00 0.84 -0.18 0.00 0.00 0.00 0.00 51.96 52.63 2kcp s ALA 62 Cb 0.00 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 2kcp s ALA 62 CO 0.00 -0.49 0.49 0.08 0.00 0.00 0.00 175.76 175.84 2kcp s VAL 63 N 1.22 5.04 -0.19 0.00 1.01 -1.26 -0.66 120.40 125.56 2kcp s VAL 63 Ca 0.59 0.34 -0.08 0.00 0.00 0.00 0.00 61.98 62.83 2kcp s VAL 63 Cb -0.29 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2kcp s VAL 63 CO 0.28 -0.18 0.07 0.68 0.00 0.00 0.00 175.10 175.95 2kcp s VAL 64 N 2.34 4.80 -0.43 2.92 -7.23 0.41 -3.09 120.40 120.12 2kcp s VAL 64 Ca 0.18 -0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 60.03 2kcp s VAL 64 Cb -0.16 -3.17 0.02 0.00 0.56 0.00 0.00 36.38 33.63 2kcp s VAL 64 CO 0.13 0.45 1.33 -0.70 -0.31 0.00 0.00 175.10 175.99 2kcp s GLU 65 N 0.49 3.63 0.45 4.82 2.56 -0.75 -0.69 118.70 129.20 2kcp s GLU 65 Ca 0.03 0.84 0.07 0.00 0.00 0.00 0.00 54.97 55.92 2kcp s GLU 65 Cb -0.13 -3.99 -0.01 0.00 2.00 0.00 0.00 34.13 32.01 2kcp s GLU 65 CO 0.01 -1.50 0.38 0.95 -0.56 0.00 0.00 175.26 174.54 2kcp s THR 66 N 5.12 2.42 0.43 -1.70 -4.23 0.03 -0.54 115.64 117.17 2kcp s THR 66 Ca 0.57 -1.39 0.14 0.00 -1.18 0.00 0.00 61.69 59.84 2kcp s THR 66 Cb -0.12 -2.81 0.34 0.00 1.34 0.00 0.00 72.50 71.25 2kcp s THR 66 CO 0.32 0.00 1.96 -0.55 -0.54 0.00 0.00 174.62 175.81 2kcp h ASN 67 N 0.98 0.38 0.96 3.99 -1.07 -1.81 -1.39 115.58 117.62 2kcp h ASN 67 Ca -0.40 0.01 -0.22 0.00 0.07 0.00 0.00 56.30 55.76 2kcp h ASN 67 Cb 1.27 -0.07 -0.03 0.00 -2.07 0.00 0.00 38.32 37.42 2kcp h ASN 67 CO 0.58 0.22 -1.07 -0.07 0.07 0.00 0.00 177.43 177.16 2kcp h LEU 68 N 0.42 0.00 0.00 6.14 3.38 -1.95 -3.51 115.31 119.79 2kcp h LEU 68 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2kcp h LEU 68 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kcp h LEU 68 CO -0.09 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.03 2kcp n GLY 69 N 1.37 0.04 3.56 0.83 0.00 -0.52 -5.06 105.19 105.41 2kcp n GLY 69 Ca -0.02 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 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 5.51 -0.32 1.61 0.02 -1.11 -0.79 114.94 115.86 2kcp s ASN 70 Ca 0.00 0.38 -0.13 0.00 -1.02 0.00 0.00 52.86 52.09 2kcp s ASN 70 Cb 0.00 -2.53 -0.03 0.00 0.02 0.00 0.00 41.25 38.71 2kcp s ASN 70 CO 0.00 -2.18 0.24 -0.69 0.02 0.00 0.00 177.10 174.48 2kcp s VAL 71 N 8.23 5.28 -0.29 1.60 1.01 0.14 -0.34 120.40 136.02 2kcp s VAL 71 Ca 0.64 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.35 2kcp s VAL 71 Cb -0.13 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 2kcp s VAL 71 CO 0.22 0.07 0.76 -0.60 0.00 0.00 0.00 175.10 175.55 2kcp s ARG 72 N 1.77 3.99 0.33 2.72 3.52 0.56 -0.45 118.95 131.39 2kcp s ARG 72 Ca 0.07 0.59 -0.29 0.00 -0.13 0.00 0.00 55.73 55.97 2kcp s ARG 72 Cb -0.17 -3.71 -0.10 0.00 -1.56 0.00 0.00 34.95 29.41 2kcp s ARG 72 CO 0.11 -0.62 1.28 0.08 -0.81 0.00 0.00 175.30 175.33 2kcp s VAL 73 N 2.86 2.82 -0.03 7.11 1.01 0.16 -0.86 120.40 133.48 2kcp s VAL 73 Ca 0.31 0.83 -0.00 0.00 0.00 0.00 0.00 61.98 63.11 2kcp s VAL 73 Cb -0.14 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2kcp s VAL 73 CO 0.11 0.19 -0.03 0.35 0.00 0.00 0.00 175.10 175.73 2kcp n THR 74 N 0.81 0.15 -2.22 3.92 -2.24 0.04 -0.68 114.28 114.07 2kcp n THR 74 Ca 0.00 -0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.47 2kcp n THR 74 Cb 0.42 -0.92 0.16 0.00 -2.10 0.00 0.00 70.33 67.89 2kcp n THR 74 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2kcp n SER 75 N -2.77 0.66 -4.77 3.42 3.41 -1.09 -4.61 113.62 107.87 2kcp n SER 75 Ca -0.05 -1.76 -0.36 0.00 -0.26 0.00 0.00 58.87 56.45 2kcp n SER 75 Cb 0.55 -0.81 -0.07 0.00 -0.26 0.00 0.00 64.21 63.61 2kcp n SER 75 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2kcp s ARG 76 N -5.42 3.98 -0.39 4.33 1.81 -1.26 -4.30 118.95 117.71 2kcp s ARG 76 Ca 0.68 -0.19 -0.28 0.00 -1.72 0.00 0.00 55.73 54.22 2kcp s ARG 76 Cb -0.03 -3.36 -0.01 0.00 -0.45 0.00 0.00 34.95 31.11 2kcp s ARG 76 CO 0.47 0.43 1.67 -1.25 -0.68 0.00 0.00 175.30 175.94 2kcp s PRO 77 N -0.03 3.35 0.00 3.54 0.04 -1.26 -3.69 135.00 136.95 2kcp s PRO 77 Ca 0.10 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2kcp s PRO 77 Cb -0.11 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2kcp s PRO 77 CO -0.00 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 175.61 2kcp n GLY 78 N 5.33 1.57 3.55 0.56 0.00 -1.26 -5.05 105.19 109.89 2kcp n GLY 78 Ca 0.20 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 0.82 -1.32 1.61 1.13 -1.24 -2.61 117.38 115.76 2kcp n GLN 79 Ca 0.00 -0.18 -0.13 0.00 -1.94 0.00 0.00 57.00 54.75 2kcp n GLN 79 Cb 0.00 -3.26 -0.05 0.00 0.11 0.00 0.00 30.24 27.04 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 15.78 -4.77 -0.55 1.08 9.92 -1.26 -1.42 116.55 135.34 2kcp n ASP 80 Ca 0.43 0.31 -0.06 0.00 -0.53 0.00 0.00 54.79 54.94 2kcp n ASP 80 Cb 0.47 -3.84 -0.01 0.00 -0.64 0.00 0.00 41.12 37.09 2kcp n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kcp n GLY 81 N 0.01 0.47 3.28 0.44 0.00 -1.07 -5.02 105.19 103.30 2kcp n GLY 81 Ca -0.13 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.25 1.92 0.06 1.61 0.11 -0.51 -4.89 120.40 116.45 2kcp s VAL 82 Ca 0.00 -1.06 0.09 0.00 -2.93 0.00 0.00 61.98 58.08 2kcp s VAL 82 Cb 0.00 -1.60 -0.03 0.00 -1.53 0.00 0.00 36.38 33.22 2kcp s VAL 82 CO 0.00 0.52 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.41 2kcp s ILE 83 N -0.59 1.99 0.09 7.04 1.01 -1.26 -4.43 121.20 125.05 2kcp s ILE 83 Ca 0.09 -1.38 0.10 0.00 0.00 0.00 0.00 60.65 59.47 2kcp s ILE 83 Cb -0.09 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 2kcp s ILE 83 CO -0.01 0.26 -0.27 0.20 0.00 0.00 0.00 174.94 175.13 2kcp s ASN 84 N -1.35 3.25 0.26 3.58 0.02 -1.26 -0.76 114.94 118.68 2kcp s ASN 84 Ca 0.10 -0.68 -0.20 0.00 -1.02 0.00 0.00 52.86 51.06 2kcp s ASN 84 Cb -0.10 -0.25 0.06 0.00 0.02 0.00 0.00 41.25 40.99 2kcp s ASN 84 CO 0.03 0.21 0.91 -0.83 0.02 0.00 0.00 177.10 177.44 2kcp s GLY 85 N -1.70 0.14 0.07 0.66 0.00 -0.60 -0.78 107.32 105.11 2kcp s GLY 85 Ca 0.13 -0.42 0.08 0.00 0.00 0.00 0.00 44.72 44.51 2kcp s GLY 85 CO 0.04 0.84 -0.19 -1.34 0.00 0.00 0.00 173.10 172.45 2kcp s VAL 86 N -2.53 2.71 -0.40 1.40 -7.23 -0.04 -0.46 120.40 113.84 2kcp s VAL 86 Ca 0.17 -1.34 -0.25 0.00 -1.81 0.00 0.00 61.98 58.75 2kcp s VAL 86 Cb -0.04 -2.17 0.02 0.00 0.56 0.00 0.00 36.38 34.75 2kcp s VAL 86 CO 0.07 0.25 0.87 -0.22 -0.31 0.00 0.00 175.10 175.77 2kcp s LEU 87 N -1.68 4.06 0.00 1.32 2.96 -0.58 -0.33 118.68 124.43 2kcp s LEU 87 Ca 0.15 0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 2kcp s LEU 87 Cb -0.10 -3.15 -0.01 0.00 0.50 0.00 0.00 46.19 43.42 2kcp s LEU 87 CO 0.06 -0.89 0.10 2.30 -1.32 0.00 0.00 176.35 176.61 2kcp n ILE 88 N 6.08 0.00 -3.55 6.68 -5.35 0.53 -4.34 119.36 119.41 2kcp n ILE 88 Ca 0.05 -1.20 -0.29 0.00 -0.27 0.00 0.00 62.75 61.05 2kcp n ILE 88 Cb 0.48 0.50 -0.12 0.00 -1.74 0.00 0.00 39.64 38.76 2kcp n ILE 88 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2kcp s ARG 89 N -2.73 0.77 0.19 6.28 1.81 -1.26 -2.74 118.95 121.26 2kcp s ARG 89 Ca 0.14 -1.51 0.12 0.00 -1.72 0.00 0.00 55.73 52.76 2kcp s ARG 89 Cb 0.01 -1.63 -0.07 0.00 -0.45 0.00 0.00 34.95 32.81 2kcp s ARG 89 CO 0.10 -1.18 1.32 0.93 -0.68 0.00 0.00 175.30 175.78 2kcp h GLU 90 N 6.99 0.00 -6.10 3.54 4.39 -1.99 -3.45 114.58 117.96 2kcp h GLU 90 Ca 0.03 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.14 2kcp h GLU 90 Cb 0.96 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.56 2kcp h GLU 90 CO 0.34 0.69 -0.09 -0.51 -1.16 0.00 0.00 179.01 178.28 2kcp s LEU 91 N -6.51 4.47 0.37 1.33 1.43 -1.26 -5.05 118.68 113.47 2kcp s LEU 91 Ca 0.02 1.12 -0.26 0.00 -1.03 0.00 0.00 54.13 53.98 2kcp s LEU 91 Cb 0.09 -2.80 -0.12 0.00 0.03 0.00 0.00 46.19 43.39 2kcp s LEU 91 CO 0.78 0.23 1.07 1.21 0.23 0.00 0.00 176.35 179.87 2kcp n GLU 92 N 2.11 1.51 0.27 1.70 2.13 -1.26 -4.88 120.64 122.21 2kcp n GLU 92 Ca -0.10 0.54 0.15 0.00 0.66 0.00 0.00 57.16 58.40 2kcp n GLU 92 Cb 0.51 -2.06 0.73 0.00 0.27 0.00 0.00 31.44 30.90 2kcp n GLU 92 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2kcp h HIS 93 N 1.84 0.00 -0.51 4.31 3.86 -1.96 -2.57 115.15 120.11 2kcp h HIS 93 Ca -0.44 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.40 2kcp h HIS 93 Cb 1.33 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 29.47 2kcp h HIS 93 CO 0.46 0.08 -0.79 -2.39 0.86 0.00 0.00 177.93 176.15 2kcp n HIS 94 N -3.30 1.85 -3.01 2.45 -0.00 -1.26 -5.07 115.22 106.89 2kcp n HIS 94 Ca -0.01 -1.98 -0.41 0.00 -0.00 0.00 0.00 57.72 55.33 2kcp n HIS 94 Cb 0.28 -0.30 -0.05 0.00 -0.00 0.00 0.00 29.99 29.92 2kcp n HIS 94 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kcp s HIS 95 N -3.40 3.40 0.07 -1.40 2.46 -0.97 -5.04 115.29 110.41 2kcp s HIS 95 Ca 0.45 1.09 -0.18 0.00 0.47 0.00 0.00 55.06 56.88 2kcp s HIS 95 Cb 0.39 -2.90 0.04 0.00 -0.13 0.00 0.00 32.58 29.97 2kcp s HIS 95 CO -0.00 -0.21 0.43 -3.38 -2.47 0.00 0.00 174.74 169.11 2kcp s HIS 96 N 2.03 -0.28 -0.58 3.88 -3.43 -1.26 -4.92 115.29 110.74 2kcp s HIS 96 Ca 0.33 0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.76 2kcp s HIS 96 Cb -0.16 0.25 0.00 0.00 -1.43 0.00 0.00 32.58 31.24 2kcp s HIS 96 CO 0.11 -0.62 0.00 0.72 -2.00 0.00 0.00 174.74 172.95 2kcp n HIS 97 N 0.27 -0.30 -0.57 0.38 8.25 -1.26 -5.24 115.22 116.75 2kcp n HIS 97 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 2kcp n HIS 97 Cb 0.61 -1.93 0.00 0.00 1.12 0.00 0.00 29.99 29.79 2kcp n HIS 97 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56