#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 6.29 -0.41 1.61 -1.08 -1.26 -4.95 116.67 116.86 2kcp s ASP 2 Ca 0.00 -0.52 0.04 0.00 -0.52 0.00 0.00 52.55 51.55 2kcp s ASP 2 Cb 0.00 -2.31 0.17 0.00 -1.46 0.00 0.00 42.92 39.32 2kcp s ASP 2 CO 0.00 -0.82 0.37 0.00 0.52 0.00 0.00 175.17 175.23 2kcp s ARG 3 N 2.79 0.86 -0.75 4.34 3.03 -1.26 -5.10 118.95 122.86 2kcp s ARG 3 Ca 0.20 -1.84 -0.26 0.00 2.03 0.00 0.00 55.73 55.86 2kcp s ARG 3 Cb -0.16 -1.22 0.04 0.00 -1.03 0.00 0.00 34.95 32.59 2kcp s ARG 3 CO 0.17 -1.35 1.25 1.03 -1.13 0.00 0.00 175.30 175.27 2kcp s ARG 4 N 0.34 3.21 0.19 3.89 0.52 -1.26 -5.00 118.95 120.84 2kcp s ARG 4 Ca 0.30 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 54.85 2kcp s ARG 4 Cb -0.01 -4.26 -0.08 0.00 0.52 0.00 0.00 34.95 31.13 2kcp s ARG 4 CO -0.15 -2.12 0.98 0.54 0.02 0.00 0.00 175.30 174.57 2kcp s VAL 5 N 5.50 4.17 -0.28 3.52 0.11 -1.26 -5.05 120.40 127.12 2kcp s VAL 5 Ca 0.34 1.99 0.02 0.00 -2.93 0.00 0.00 61.98 61.40 2kcp s VAL 5 Cb -0.08 -4.27 0.08 0.00 -1.53 0.00 0.00 36.38 30.57 2kcp s VAL 5 CO 0.13 0.40 -0.02 -0.13 -3.33 0.00 0.00 175.10 172.15 2kcp s ARG 6 N -0.67 1.56 -0.59 1.54 0.52 -1.26 -5.06 118.95 115.00 2kcp s ARG 6 Ca 0.44 -1.28 0.05 0.00 -0.52 0.00 0.00 55.73 54.43 2kcp s ARG 6 Cb -0.26 -2.71 0.19 0.00 0.52 0.00 0.00 34.95 32.70 2kcp s ARG 6 CO 0.32 -0.73 0.51 -0.11 0.02 0.00 0.00 175.30 175.31 2kcp n LEU 7 N 4.55 2.00 -4.81 2.53 7.94 -1.26 -5.08 117.00 122.88 2kcp n LEU 7 Ca -0.07 -5.00 -0.37 0.00 -1.11 0.00 0.00 56.01 49.46 2kcp n LEU 7 Cb 0.43 -0.26 -0.06 0.00 0.53 0.00 0.00 43.42 44.05 2kcp n LEU 7 CO 0.19 1.88 -0.03 -0.51 -1.11 0.00 0.00 177.39 177.80 2kcp s ILE 8 N -1.27 5.29 0.05 1.96 -1.16 -1.26 -5.11 121.20 119.70 2kcp s ILE 8 Ca 0.31 0.52 0.07 0.00 -0.51 0.00 0.00 60.65 61.04 2kcp s ILE 8 Cb 0.04 -3.58 -0.03 0.00 0.61 0.00 0.00 42.46 39.50 2kcp s ILE 8 CO -0.14 0.52 -0.16 0.00 -2.81 0.00 0.00 174.94 172.35 2kcp s ARG 9 N -0.46 2.11 0.34 3.50 1.70 -1.26 -5.14 118.95 119.73 2kcp s ARG 9 Ca 0.18 -0.97 0.09 0.00 -0.47 0.00 0.00 55.73 54.56 2kcp s ARG 9 Cb -0.14 -2.23 -0.06 0.00 -0.57 0.00 0.00 34.95 31.95 2kcp s ARG 9 CO 0.06 0.54 -0.05 0.95 -1.08 0.00 0.00 175.30 175.72 2kcp s THR 10 N -0.98 2.44 0.03 4.99 -4.23 -1.26 -5.16 115.64 111.47 2kcp s THR 10 Ca 0.16 -2.11 -0.10 0.00 -1.18 0.00 0.00 61.69 58.46 2kcp s THR 10 Cb -0.11 -2.70 0.01 0.00 1.34 0.00 0.00 72.50 71.04 2kcp s THR 10 CO 0.07 -0.21 0.20 0.00 -0.54 0.00 0.00 174.62 174.14 2kcp s ARG 11 N -3.65 0.68 0.41 3.99 1.04 -1.26 -5.18 118.95 114.97 2kcp s ARG 11 Ca 0.33 -0.58 0.02 0.00 -1.04 0.00 0.00 55.73 54.46 2kcp s ARG 11 Cb 0.01 0.28 -0.01 0.00 -2.04 0.00 0.00 34.95 33.20 2kcp s ARG 11 CO 0.18 -0.20 0.06 0.41 -0.04 0.00 0.00 175.30 175.71 2kcp n GLY 12 N 0.77 3.50 3.22 3.88 0.00 -1.26 -5.16 105.19 110.14 2kcp n GLY 12 Ca -0.19 -2.23 -0.27 0.00 0.00 0.00 0.00 46.02 43.33 2kcp n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kcp s GLY 13 N -3.33 1.00 -0.86 -0.02 0.00 -1.26 -5.07 107.32 97.78 2kcp s GLY 13 Ca 0.09 -0.88 -0.25 0.00 0.00 0.00 0.00 44.72 43.67 2kcp s GLY 13 CO 0.06 -0.73 2.06 0.21 0.00 0.00 0.00 173.10 174.69 2kcp s ASN 14 N -0.49 4.84 -0.23 1.64 3.84 -1.26 -4.91 114.94 118.37 2kcp s ASN 14 Ca 0.08 -0.45 0.02 0.00 0.21 0.00 0.00 52.86 52.72 2kcp s ASN 14 Cb -0.08 -2.56 0.04 0.00 -0.55 0.00 0.00 41.25 38.11 2kcp s ASN 14 CO -0.01 -3.00 -0.14 -0.89 -2.79 0.00 0.00 177.10 170.27 2kcp s THR 15 N 11.18 2.17 0.08 -5.21 2.01 -1.26 -5.12 115.64 119.50 2kcp s THR 15 Ca 0.76 -1.36 0.03 0.00 0.31 0.00 0.00 61.69 61.42 2kcp s THR 15 Cb -0.08 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 2kcp s THR 15 CO 0.02 0.18 -0.08 -1.59 -0.69 0.00 0.00 174.62 172.46 2kcp s LYS 16 N 1.18 0.77 0.41 4.92 0.00 -1.26 -5.15 119.74 120.60 2kcp s LYS 16 Ca -0.04 -1.12 -0.18 0.00 0.00 0.00 0.00 55.97 54.63 2kcp s LYS 16 Cb -0.17 -0.37 -0.10 0.00 0.00 0.00 0.00 37.83 37.19 2kcp s LYS 16 CO -0.08 0.04 0.88 0.54 0.00 0.00 0.00 175.35 176.73 2kcp s VAL 17 N -2.59 4.52 1.07 1.79 0.11 -1.26 -5.06 120.40 118.98 2kcp s VAL 17 Ca 0.04 1.25 -0.12 0.00 -2.93 0.00 0.00 61.98 60.22 2kcp s VAL 17 Cb -0.02 -3.62 0.24 0.00 -1.53 0.00 0.00 36.38 31.44 2kcp s VAL 17 CO -0.01 -0.34 1.07 0.00 -3.33 0.00 0.00 175.10 172.49 2kcp s ARG 18 N -3.27 -0.24 -0.19 1.54 1.70 -1.26 -4.87 118.95 112.36 2kcp s ARG 18 Ca 0.59 1.14 -0.28 0.00 -0.47 0.00 0.00 55.73 56.70 2kcp s ARG 18 Cb -0.10 -1.61 -0.05 0.00 -0.57 0.00 0.00 34.95 32.62 2kcp s ARG 18 CO 0.18 -3.36 2.09 -1.17 -1.08 0.00 0.00 175.30 171.96 2kcp s LEU 19 N -7.02 3.66 0.07 -1.89 0.20 -1.25 -4.76 118.68 107.68 2kcp s LEU 19 Ca 0.68 1.95 0.00 0.00 0.69 0.00 0.00 54.13 57.45 2kcp s LEU 19 Cb -0.24 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.00 2kcp s LEU 19 CO 0.62 -1.73 0.00 0.00 -0.29 0.00 0.00 176.35 174.95 2kcp n ALA 20 N 10.59 3.00 -0.02 5.97 0.00 -1.26 -4.98 120.51 133.81 2kcp n ALA 20 Ca 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.66 2kcp n ALA 20 Cb 0.44 0.30 -0.02 0.00 0.00 0.00 0.00 19.45 20.18 2kcp n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kcp n SER 21 N -3.20 0.57 -4.57 0.00 7.64 -1.26 -4.97 113.62 107.83 2kcp n SER 21 Ca 0.00 0.04 -0.40 0.00 1.01 0.00 0.00 58.87 59.52 2kcp n SER 21 Cb 0.20 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 2kcp n SER 21 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kcp n ASP 22 N -3.14 2.78 -4.58 6.43 9.92 -1.26 -4.93 116.55 121.77 2kcp n ASP 22 Ca -0.08 -0.10 -0.42 0.00 -0.53 0.00 0.00 54.79 53.66 2kcp n ASP 22 Cb 0.56 -1.55 -0.06 0.00 -0.64 0.00 0.00 41.12 39.43 2kcp n ASP 22 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2kcp s THR 23 N 10.01 4.85 -0.04 -3.53 2.01 -1.26 -4.80 115.64 122.89 2kcp s THR 23 Ca 1.01 0.69 -0.15 0.00 0.31 0.00 0.00 61.69 63.55 2kcp s THR 23 Cb -0.30 -4.10 0.03 0.00 0.01 0.00 0.00 72.50 68.14 2kcp s THR 23 CO 0.32 -0.33 0.32 -0.60 -0.69 0.00 0.00 174.62 173.65 2kcp s ARG 24 N 2.80 0.63 -0.04 4.92 3.52 -1.26 -4.12 118.95 125.40 2kcp s ARG 24 Ca 0.26 -0.06 -0.04 0.00 -0.13 0.00 0.00 55.73 55.76 2kcp s ARG 24 Cb -0.14 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.54 2kcp s ARG 24 CO 0.15 -0.16 0.11 -1.50 -0.81 0.00 0.00 175.30 173.09 2kcp s ILE 25 N -1.05 -0.00 -0.58 4.11 2.07 0.47 -4.70 121.20 121.53 2kcp s ILE 25 Ca -0.11 0.01 -0.26 0.00 -1.41 0.00 0.00 60.65 58.88 2kcp s ILE 25 Cb -0.05 -0.17 0.04 0.00 0.13 0.00 0.00 42.46 42.42 2kcp s ILE 25 CO 0.04 0.00 1.05 0.20 -1.91 0.00 0.00 174.94 174.32 2kcp s ASN 26 N 0.12 6.36 -0.25 4.50 -0.87 0.61 -0.84 114.94 124.57 2kcp s ASN 26 Ca -0.00 -0.23 -0.08 0.00 -1.57 0.00 0.00 52.86 50.98 2kcp s ASN 26 Cb -0.01 -2.48 -0.03 0.00 -0.02 0.00 0.00 41.25 38.70 2kcp s ASN 26 CO -0.00 -1.36 0.08 -0.69 -2.57 0.00 0.00 177.10 172.56 2kcp s VAL 27 N 4.39 4.40 -0.24 1.60 1.01 0.16 -0.21 120.40 131.52 2kcp s VAL 27 Ca 0.34 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 2kcp s VAL 27 Cb -0.11 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2kcp s VAL 27 CO 0.21 0.34 0.36 -0.69 0.00 0.00 0.00 175.10 175.32 2kcp s VAL 28 N 1.56 5.20 -0.32 2.92 1.01 0.13 0.08 120.40 130.98 2kcp s VAL 28 Ca 0.06 0.59 -0.27 0.00 0.00 0.00 0.00 61.98 62.36 2kcp s VAL 28 Cb -0.15 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.55 2kcp s VAL 28 CO 0.04 0.21 0.97 -0.62 0.00 0.00 0.00 175.10 175.70 2kcp s ASP 29 N 1.36 6.82 0.27 3.32 2.15 -0.42 -0.70 116.67 129.48 2kcp s ASP 29 Ca 0.16 0.88 0.25 0.00 0.43 0.00 0.00 52.55 54.27 2kcp s ASP 29 Cb -0.15 -2.49 0.97 0.00 -0.30 0.00 0.00 42.92 40.94 2kcp s ASP 29 CO 0.09 -0.79 1.74 1.55 -0.17 0.00 0.00 175.17 177.59 2kcp h PRO 30 N 8.13 0.00 0.08 4.34 0.13 -1.90 0.46 132.00 143.24 2kcp h PRO 30 Ca -0.22 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.77 2kcp h PRO 30 Cb 1.07 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.22 2kcp h PRO 30 CO 0.98 0.00 -0.62 0.93 -0.23 0.00 0.00 178.00 179.06 2kcp h GLU 31 N 0.00 0.27 0.00 0.86 4.39 -1.91 -3.38 114.58 114.81 2kcp h GLU 31 Ca 0.00 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.28 2kcp h GLU 31 Cb 0.45 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2kcp h GLU 31 CO 0.00 1.15 -1.82 0.25 -1.16 0.00 0.00 179.01 177.44 2kcp n THR 32 N -4.24 0.08 -1.06 1.13 -2.24 -1.21 -5.00 114.28 101.72 2kcp n THR 32 Ca -0.12 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2kcp n THR 32 Cb 0.72 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 1.55 0.39 3.80 3.38 0.00 0.16 -5.04 105.19 109.43 2kcp n GLY 33 Ca -0.05 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.13 4.29 -0.80 1.61 -2.85 -1.20 -4.86 119.74 113.81 2kcp s LYS 34 Ca 0.00 0.83 -0.22 0.00 -1.00 0.00 0.00 55.97 55.58 2kcp s LYS 34 Cb 0.00 -3.26 0.08 0.00 -2.06 0.00 0.00 37.83 32.60 2kcp s LYS 34 CO 0.00 0.59 1.11 0.08 0.10 0.00 0.00 175.35 177.23 2kcp s VAL 35 N -1.01 4.34 0.35 1.79 1.01 -1.26 -1.29 120.40 124.33 2kcp s VAL 35 Ca 0.31 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.63 2kcp s VAL 35 Cb -0.20 -4.79 -0.01 0.00 0.00 0.00 0.00 36.38 31.39 2kcp s VAL 35 CO 0.20 -1.57 0.49 -0.70 0.00 0.00 0.00 175.10 173.52 2kcp s GLU 36 N 3.91 3.07 -0.09 2.72 2.56 0.11 -4.95 118.70 126.04 2kcp s GLU 36 Ca 0.30 -1.04 0.03 0.00 0.00 0.00 0.00 54.97 54.26 2kcp s GLU 36 Cb -0.10 -2.81 0.00 0.00 2.00 0.00 0.00 34.13 33.23 2kcp s GLU 36 CO 0.02 0.00 -0.20 0.42 -0.56 0.00 0.00 175.26 174.94 2kcp s ILE 37 N -2.21 1.73 0.28 -3.70 1.01 -1.26 0.40 121.20 117.45 2kcp s ILE 37 Ca 0.47 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.31 2kcp s ILE 37 Cb -0.10 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.80 2kcp s ILE 37 CO 0.32 0.49 0.09 0.00 0.00 0.00 0.00 174.94 175.83 2kcp s ALA 38 N 0.47 1.95 -0.10 9.38 0.00 -0.02 -4.91 121.76 128.53 2kcp s ALA 38 Ca -0.17 -1.92 0.02 0.00 0.00 0.00 0.00 51.96 49.89 2kcp s ALA 38 Cb -0.17 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 2kcp s ALA 38 CO 0.07 -0.41 -0.18 -1.21 0.00 0.00 0.00 175.76 174.03 2kcp s GLU 39 N -3.98 3.07 -0.33 0.00 2.02 -1.26 -0.39 118.70 117.82 2kcp s GLU 39 Ca 0.37 -0.78 -0.29 0.00 0.02 0.00 0.00 54.97 54.30 2kcp s GLU 39 Cb 0.08 -2.44 0.01 0.00 0.10 0.00 0.00 34.13 31.88 2kcp s GLU 39 CO 0.14 0.27 1.23 0.42 0.02 0.00 0.00 175.26 177.35 2kcp s ILE 40 N 0.15 4.23 -0.04 -1.63 1.01 -1.26 -1.98 121.20 121.68 2kcp s ILE 40 Ca -0.10 1.37 -0.26 0.00 0.00 0.00 0.00 60.65 61.66 2kcp s ILE 40 Cb -0.16 -4.28 -0.21 0.00 0.01 0.00 0.00 42.46 37.83 2kcp s ILE 40 CO 0.06 -0.55 1.19 0.03 0.00 0.00 0.00 174.94 175.67 2kcp h ARG 41 N 9.06 -0.00 -4.20 2.79 2.47 0.10 -3.46 114.38 121.14 2kcp h ARG 41 Ca -0.24 0.00 -0.43 0.00 -1.26 0.00 0.00 59.98 58.05 2kcp h ARG 41 Cb 1.08 0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 29.07 2kcp h ARG 41 CO 1.05 0.56 -0.78 -0.80 0.56 0.00 0.00 179.97 180.55 2kcp s ASN 42 N -5.77 1.11 -0.04 7.04 0.02 -0.82 -4.99 114.94 111.49 2kcp s ASN 42 Ca -0.16 -0.17 0.07 0.00 -1.02 0.00 0.00 52.86 51.58 2kcp s ASN 42 Cb 0.01 -0.49 0.28 0.00 0.02 0.00 0.00 41.25 41.07 2kcp s ASN 42 CO 0.68 -0.02 1.12 1.33 0.02 0.00 0.00 177.10 180.23 2kcp n VAL 43 N 3.86 0.68 -4.83 1.60 0.24 -1.26 -0.73 118.33 117.88 2kcp n VAL 43 Ca -0.24 -0.45 -0.27 0.00 -2.04 0.00 0.00 64.34 61.34 2kcp n VAL 43 Cb 0.52 -0.06 -0.17 0.00 -1.47 0.00 0.00 33.84 32.66 2kcp n VAL 43 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kcp s VAL 44 N -1.64 1.47 0.00 3.34 0.11 -1.26 -4.81 120.40 117.60 2kcp s VAL 44 Ca 0.20 -0.69 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 2kcp s VAL 44 Cb 0.13 -1.29 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 2kcp s VAL 44 CO 0.10 0.43 0.00 -1.84 -3.33 0.00 0.00 175.10 170.46 2kcp n GLU 45 N 3.53 2.50 -1.14 1.54 0.28 -1.15 -4.63 120.64 121.57 2kcp n GLU 45 Ca -0.20 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.48 2kcp n GLU 45 Cb 0.52 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.35 2kcp n GLU 45 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2kcp n ASN 46 N 0.00 7.45 -4.55 -1.84 3.02 -1.26 -4.90 115.26 113.18 2kcp n ASN 46 Ca 0.00 -2.49 -0.38 0.00 -0.03 0.00 0.00 54.58 51.67 2kcp n ASN 46 Cb 0.00 -1.43 -0.03 0.00 -0.61 0.00 0.00 39.78 37.71 2kcp n ASN 46 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2kcp s THR 47 N 2.29 3.46 -1.15 3.41 -4.23 -1.26 -4.90 115.64 113.25 2kcp s THR 47 Ca 0.62 0.19 -0.19 0.00 -1.18 0.00 0.00 61.69 61.14 2kcp s THR 47 Cb 0.18 -4.22 -0.04 0.00 1.34 0.00 0.00 72.50 69.76 2kcp s THR 47 CO -0.05 -1.17 2.00 0.00 -0.54 0.00 0.00 174.62 174.86 2kcp n ALA 48 N 11.91 3.88 -3.19 3.99 0.00 -1.26 -4.73 120.51 131.11 2kcp n ALA 48 Ca 0.18 -3.55 -0.23 0.00 0.00 0.00 0.00 53.44 49.83 2kcp n ALA 48 Cb 0.51 -3.58 -0.05 0.00 0.00 0.00 0.00 19.45 16.33 2kcp n ALA 48 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kcp n ASN 49 N 8.19 1.95 -4.65 0.00 5.03 -1.26 -5.05 115.26 119.48 2kcp n ASN 49 Ca 0.50 -3.13 -0.43 0.00 0.87 0.00 0.00 54.58 52.39 2kcp n ASN 49 Cb 0.42 -0.63 -0.02 0.00 -1.02 0.00 0.00 39.78 38.53 2kcp n ASN 49 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2kcp s PRO 50 N -2.26 4.07 0.00 3.52 0.04 -1.26 -1.94 135.00 137.17 2kcp s PRO 50 Ca 0.40 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2kcp s PRO 50 Cb 0.24 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.86 2kcp s PRO 50 CO -0.09 -0.95 0.00 0.72 0.04 0.00 0.00 177.00 176.72 2kcp n HIS 51 N 7.37 0.00 -0.66 0.56 8.25 -1.26 -4.83 115.22 124.65 2kcp n HIS 51 Ca 0.16 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.69 2kcp n HIS 51 Cb 0.44 -0.88 0.13 0.00 1.12 0.00 0.00 29.99 30.80 2kcp n HIS 51 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2kcp n PHE 52 N -2.37 0.27 -1.68 4.41 3.72 -0.82 -5.06 117.46 115.94 2kcp n PHE 52 Ca 0.00 -0.78 -0.46 0.00 -0.05 0.00 0.00 57.45 56.17 2kcp n PHE 52 Cb 0.17 -0.14 -0.04 0.00 -0.94 0.00 0.00 39.48 38.52 2kcp n PHE 52 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2kcp n VAL 53 N -0.73 0.06 -2.42 -4.37 0.31 -1.16 -4.96 118.33 105.06 2kcp n VAL 53 Ca 0.13 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2kcp n VAL 53 Cb 0.57 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 2kcp n VAL 53 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2kcp n ARG 54 N 3.80 3.18 -1.76 5.55 1.74 -1.26 -5.13 116.66 122.78 2kcp n ARG 54 Ca 0.17 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.96 2kcp n ARG 54 Cb 0.30 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.81 2kcp n ARG 54 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2kcp s ARG 55 N 1.98 2.27 0.00 5.56 0.52 -1.26 -4.93 118.95 123.09 2kcp s ARG 55 Ca 0.00 0.42 -0.05 0.00 -0.52 0.00 0.00 55.73 55.58 2kcp s ARG 55 Cb 0.00 -1.96 -0.22 0.00 0.52 0.00 0.00 34.95 33.29 2kcp s ARG 55 CO 0.00 -1.44 3.14 0.27 0.02 0.00 0.00 175.30 177.29 2kcp n ASN 56 N -3.27 4.64 -4.47 0.23 6.94 -1.26 -4.86 115.26 113.20 2kcp n ASN 56 Ca 0.07 -2.36 -0.43 0.00 -0.02 0.00 0.00 54.58 51.84 2kcp n ASN 56 Cb 0.58 -1.23 -0.06 0.00 -2.36 0.00 0.00 39.78 36.71 2kcp n ASN 56 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2kcp s ILE 57 N 1.15 4.76 -0.48 1.53 1.10 -1.26 -5.01 121.20 122.99 2kcp s ILE 57 Ca 0.54 -0.24 -0.28 0.00 -0.51 0.00 0.00 60.65 60.17 2kcp s ILE 57 Cb 0.26 -4.34 -0.01 0.00 0.15 0.00 0.00 42.46 38.52 2kcp s ILE 57 CO 0.00 -0.84 1.71 -0.63 -2.11 0.00 0.00 174.94 173.07 2kcp s ILE 58 N 2.95 3.53 0.58 2.00 1.01 -1.26 -5.00 121.20 125.02 2kcp s ILE 58 Ca 0.19 0.47 -0.05 0.00 0.00 0.00 0.00 60.65 61.27 2kcp s ILE 58 Cb -0.17 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.37 2kcp s ILE 58 CO 0.15 -0.75 0.88 0.28 0.00 0.00 0.00 174.94 175.49 2kcp s THR 59 N 7.36 3.46 -0.15 2.92 -1.32 -1.26 -4.39 115.64 122.25 2kcp s THR 59 Ca 0.69 -0.14 -0.29 0.00 -1.21 0.00 0.00 61.69 60.73 2kcp s THR 59 Cb -0.16 -3.37 -0.04 0.00 -1.51 0.00 0.00 72.50 67.42 2kcp s THR 59 CO 0.28 -0.36 1.68 -0.60 -2.21 0.00 0.00 174.62 173.41 2kcp s ARG 60 N -4.95 3.91 0.00 7.08 3.52 -1.26 -1.74 118.95 125.51 2kcp s ARG 60 Ca 0.54 1.91 0.00 0.00 -0.13 0.00 0.00 55.73 58.05 2kcp s ARG 60 Cb -0.10 -4.04 0.00 0.00 -1.56 0.00 0.00 34.95 29.24 2kcp s ARG 60 CO 0.44 -1.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.17 2kcp n GLY 61 N 4.52 0.42 3.76 8.12 0.00 0.83 -5.02 105.19 117.82 2kcp n GLY 61 Ca 0.19 0.00 -0.41 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 3.45 -0.33 4.61 0.00 -0.71 -4.57 121.76 122.21 2kcp s ALA 62 Ca 0.00 1.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.84 2kcp s ALA 62 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2kcp s ALA 62 CO 0.00 -0.37 0.39 0.08 0.00 0.00 0.00 175.76 175.86 2kcp s VAL 63 N -0.88 5.15 0.04 0.00 1.01 -1.26 -0.65 120.40 123.80 2kcp s VAL 63 Ca 0.48 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.67 2kcp s VAL 63 Cb -0.35 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2kcp s VAL 63 CO 0.44 -0.06 0.12 0.68 0.00 0.00 0.00 175.10 176.27 2kcp s VAL 64 N 2.09 4.85 -0.09 2.92 -7.23 0.27 -2.96 120.40 120.25 2kcp s VAL 64 Ca 0.14 -0.52 -0.25 0.00 -1.81 0.00 0.00 61.98 59.54 2kcp s VAL 64 Cb -0.16 -3.30 -0.03 0.00 0.56 0.00 0.00 36.38 33.45 2kcp s VAL 64 CO 0.12 0.22 0.78 -0.70 -0.31 0.00 0.00 175.10 175.21 2kcp s GLU 65 N -2.15 4.41 0.37 4.82 2.56 0.09 -0.79 118.70 128.01 2kcp s GLU 65 Ca 0.28 1.00 0.03 0.00 0.00 0.00 0.00 54.97 56.29 2kcp s GLU 65 Cb -0.12 -3.49 -0.04 0.00 2.00 0.00 0.00 34.13 32.48 2kcp s GLU 65 CO 0.20 -0.08 0.10 0.95 -0.56 0.00 0.00 175.26 175.88 2kcp s THR 66 N 1.25 0.78 0.21 -1.70 -4.23 0.55 0.15 115.64 112.65 2kcp s THR 66 Ca 0.40 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.26 2kcp s THR 66 Cb -0.18 -2.51 0.37 0.00 1.34 0.00 0.00 72.50 71.52 2kcp s THR 66 CO 0.18 0.00 2.06 -0.55 -0.54 0.00 0.00 174.62 175.77 2kcp h ASN 67 N 1.94 0.00 0.52 3.99 -1.07 -1.78 -1.79 115.58 117.40 2kcp h ASN 67 Ca -0.37 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 55.76 2kcp h ASN 67 Cb 1.26 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.47 2kcp h ASN 67 CO 0.61 0.00 -1.65 0.18 0.07 0.00 0.00 177.43 176.64 2kcp n LEU 68 N -2.84 0.76 0.00 6.14 4.77 -1.26 -5.07 117.00 119.50 2kcp n LEU 68 Ca -0.01 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2kcp n LEU 68 Cb 0.16 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2kcp n LEU 68 CO 0.20 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2kcp n GLY 69 N 1.49 0.72 3.71 -0.72 0.00 -0.67 -5.07 105.19 104.64 2kcp n GLY 69 Ca -0.15 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 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 7.24 -0.14 1.61 0.02 -1.20 -0.33 114.94 118.14 2kcp s ASN 70 Ca 0.00 1.76 0.00 0.00 -1.02 0.00 0.00 52.86 53.60 2kcp s ASN 70 Cb 0.00 -2.57 0.03 0.00 0.02 0.00 0.00 41.25 38.73 2kcp s ASN 70 CO 0.00 -0.38 -0.11 -0.69 0.02 0.00 0.00 177.10 175.94 2kcp s VAL 71 N 1.29 1.36 -0.40 1.60 1.01 0.03 -0.26 120.40 125.04 2kcp s VAL 71 Ca 0.54 -0.54 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 2kcp s VAL 71 Cb -0.23 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.83 2kcp s VAL 71 CO 0.26 0.39 0.89 -0.60 0.00 0.00 0.00 175.10 176.05 2kcp s ARG 72 N 1.57 3.72 0.12 2.72 3.52 -0.12 -0.57 118.95 129.91 2kcp s ARG 72 Ca 0.04 0.38 -0.31 0.00 -0.13 0.00 0.00 55.73 55.72 2kcp s ARG 72 Cb -0.13 -3.84 -0.09 0.00 -1.56 0.00 0.00 34.95 29.33 2kcp s ARG 72 CO -0.10 -1.01 1.58 0.08 -0.81 0.00 0.00 175.30 175.04 2kcp s VAL 73 N 3.47 2.89 -0.13 7.11 1.01 0.18 -0.61 120.40 134.32 2kcp s VAL 73 Ca 0.36 0.53 -0.12 0.00 0.00 0.00 0.00 61.98 62.74 2kcp s VAL 73 Cb -0.12 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2kcp s VAL 73 CO 0.21 0.02 -0.24 0.35 0.00 0.00 0.00 175.10 175.44 2kcp n THR 74 N 4.30 1.10 -2.46 3.92 -2.24 0.60 -0.12 114.28 119.38 2kcp n THR 74 Ca 0.14 0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.74 2kcp n THR 74 Cb 0.40 -2.13 -0.02 0.00 -2.10 0.00 0.00 70.33 66.47 2kcp n THR 74 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kcp s SER 75 N -5.38 6.82 0.21 3.42 0.01 -1.13 -4.61 113.70 113.04 2kcp s SER 75 Ca -0.20 1.35 -0.32 0.00 1.31 0.00 0.00 55.95 58.09 2kcp s SER 75 Cb 0.03 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.60 2kcp s SER 75 CO 0.30 -0.93 1.72 -1.14 0.41 0.00 0.00 173.24 173.60 2kcp n ARG 76 N 6.97 2.77 -1.68 12.44 0.63 -1.26 -3.91 116.66 132.62 2kcp n ARG 76 Ca 0.14 1.00 -0.51 0.00 -0.92 0.00 0.00 57.85 57.55 2kcp n ARG 76 Cb 0.46 -2.84 -0.06 0.00 0.45 0.00 0.00 32.46 30.47 2kcp n ARG 76 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2kcp n PRO 77 N 3.92 1.73 0.00 -0.14 -0.04 -1.26 -3.50 135.00 135.71 2kcp n PRO 77 Ca 0.16 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 2kcp n PRO 77 Cb 0.35 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 2kcp n PRO 77 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kcp n GLY 78 N 3.99 3.50 3.55 0.55 0.00 -1.26 -5.06 105.19 110.47 2kcp n GLY 78 Ca 0.23 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 1.08 -1.49 1.61 6.02 -1.23 -2.44 117.38 120.94 2kcp n GLN 79 Ca 0.00 0.04 -0.17 0.00 -0.01 0.00 0.00 57.00 56.86 2kcp n GLN 79 Cb 0.00 -3.36 -0.07 0.00 1.02 0.00 0.00 30.24 27.82 2kcp n GLN 79 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2kcp n ASP 80 N 15.41 -4.84 0.00 1.08 9.92 -1.26 -1.25 116.55 135.61 2kcp n ASP 80 Ca 0.37 0.42 0.00 0.00 -0.53 0.00 0.00 54.79 55.06 2kcp n ASP 80 Cb 0.52 -4.23 0.00 0.00 -0.64 0.00 0.00 41.12 36.77 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 -0.26 0.62 3.87 0.44 0.00 -1.02 -4.90 105.19 103.94 2kcp n GLY 81 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.68 5.40 -0.19 1.61 0.11 -0.38 -3.87 120.40 120.39 2kcp s VAL 82 Ca 0.00 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.14 2kcp s VAL 82 Cb 0.00 -3.39 0.03 0.00 -1.53 0.00 0.00 36.38 31.50 2kcp s VAL 82 CO 0.00 0.55 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.56 2kcp s ILE 83 N -1.09 1.74 0.15 7.04 1.01 -1.26 -4.31 121.20 124.47 2kcp s ILE 83 Ca 0.18 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.92 2kcp s ILE 83 Cb -0.12 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 2kcp s ILE 83 CO 0.07 0.29 0.18 0.20 0.00 0.00 0.00 174.94 175.69 2kcp s ASN 84 N 1.38 5.83 0.38 3.58 -0.87 -1.25 -0.28 114.94 123.71 2kcp s ASN 84 Ca 0.01 -0.00 -0.16 0.00 -1.57 0.00 0.00 52.86 51.14 2kcp s ASN 84 Cb -0.15 -1.63 0.05 0.00 -0.02 0.00 0.00 41.25 39.51 2kcp s ASN 84 CO -0.09 0.08 0.79 -0.83 -2.57 0.00 0.00 177.10 174.47 2kcp s GLY 85 N -3.06 0.37 -0.07 0.66 0.00 0.70 -0.29 107.32 105.63 2kcp s GLY 85 Ca 0.32 -0.75 0.05 0.00 0.00 0.00 0.00 44.72 44.34 2kcp s GLY 85 CO 0.25 -0.31 -0.24 0.14 0.00 0.00 0.00 173.10 172.94 2kcp s VAL 86 N -2.32 2.04 -0.53 1.40 1.01 0.22 -0.70 120.40 121.52 2kcp s VAL 86 Ca 0.15 -1.04 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 2kcp s VAL 86 Cb -0.05 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.60 2kcp s VAL 86 CO 0.11 0.56 1.39 -0.22 0.00 0.00 0.00 175.10 176.95 2kcp s LEU 87 N 0.05 3.45 0.50 3.92 2.96 0.12 -0.94 118.68 128.74 2kcp s LEU 87 Ca -0.10 0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 2kcp s LEU 87 Cb -0.15 -3.17 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 2kcp s LEU 87 CO 0.06 -1.63 0.04 0.27 -1.32 0.00 0.00 176.35 173.77 2kcp s ILE 88 N 5.83 0.89 -0.35 6.68 -4.36 0.64 -4.31 121.20 126.21 2kcp s ILE 88 Ca 0.53 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.92 2kcp s ILE 88 Cb -0.11 -2.10 0.13 0.00 1.25 0.00 0.00 42.46 41.64 2kcp s ILE 88 CO 0.27 0.00 0.20 -0.13 0.24 0.00 0.00 174.94 175.52 2kcp s ARG 89 N -3.83 0.61 -0.19 0.37 1.81 -1.26 -3.26 118.95 113.18 2kcp s ARG 89 Ca 0.07 -1.31 -0.10 0.00 -1.72 0.00 0.00 55.73 52.66 2kcp s ARG 89 Cb 0.01 -1.45 -0.08 0.00 -0.45 0.00 0.00 34.95 32.98 2kcp s ARG 89 CO 0.04 -1.17 -0.26 0.39 -0.68 0.00 0.00 175.30 173.62 2kcp n GLU 90 N 4.15 0.42 -1.63 3.54 1.02 -1.26 -5.02 120.64 121.87 2kcp n GLU 90 Ca 0.09 0.18 -0.37 0.00 -0.02 0.00 0.00 57.16 57.04 2kcp n GLU 90 Cb 0.37 -1.21 0.06 0.00 -0.02 0.00 0.00 31.44 30.64 2kcp n GLU 90 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2kcp n LEU 91 N -3.93 4.37 -4.57 -4.62 4.77 -1.26 -4.78 117.00 106.98 2kcp n LEU 91 Ca -0.37 0.79 -0.44 0.00 -0.03 0.00 0.00 56.01 55.96 2kcp n LEU 91 Cb 0.74 -1.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.36 2kcp n LEU 91 CO 0.03 -1.66 1.85 1.21 -1.33 0.00 0.00 177.39 177.50 2kcp n GLU 92 N -1.37 1.80 0.14 3.23 2.13 -1.26 -4.85 120.64 120.45 2kcp n GLU 92 Ca 0.15 0.48 -0.01 0.00 0.66 0.00 0.00 57.16 58.43 2kcp n GLU 92 Cb 0.48 -3.13 0.19 0.00 0.27 0.00 0.00 31.44 29.26 2kcp n GLU 92 CO 0.00 0.00 0.00 1.12 -0.41 0.00 0.00 177.13 177.84 2kcp h HIS 93 N 14.82 0.03 -1.46 4.31 2.07 -1.96 -3.40 115.15 129.56 2kcp h HIS 93 Ca -0.38 -0.01 -0.48 0.00 -2.85 0.00 0.00 60.37 56.64 2kcp h HIS 93 Cb 1.25 -0.01 -0.07 0.00 2.57 0.00 0.00 27.41 31.16 2kcp h HIS 93 CO 0.94 0.60 1.16 -1.58 -3.07 0.00 0.00 177.93 175.98 2kcp s HIS 94 N -3.72 2.09 -0.57 6.12 5.65 -1.26 -4.91 115.29 118.69 2kcp s HIS 94 Ca -0.02 0.08 -0.34 0.00 0.25 0.00 0.00 55.06 55.03 2kcp s HIS 94 Cb 0.13 -4.38 -0.15 0.00 -1.18 0.00 0.00 32.58 27.00 2kcp s HIS 94 CO 0.76 -2.00 2.35 -2.39 -0.65 0.00 0.00 174.74 172.82 2kcp n HIS 95 N 11.21 1.21 -3.15 3.88 1.44 -1.26 -4.89 115.22 123.66 2kcp n HIS 95 Ca 0.26 0.38 -0.40 0.00 -2.01 0.00 0.00 57.72 55.94 2kcp n HIS 95 Cb 0.50 -2.46 -0.07 0.00 0.12 0.00 0.00 29.99 28.08 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 8.26 3.27 -0.02 -1.40 5.04 -1.26 -5.05 115.29 124.13 2kcp s HIS 96 Ca 1.17 0.74 -0.01 0.00 -1.54 0.00 0.00 55.06 55.42 2kcp s HIS 96 Cb -0.99 -2.81 0.02 0.00 0.04 0.00 0.00 32.58 28.84 2kcp s HIS 96 CO 0.49 -0.32 0.04 -1.01 -2.34 0.00 0.00 174.74 171.59 2kcp s HIS 97 N 2.44 -0.01 0.00 3.88 3.76 -1.26 -5.25 115.29 118.85 2kcp s HIS 97 Ca 0.24 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.28 2kcp s HIS 97 Cb -0.15 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.43 2kcp s HIS 97 CO 0.09 -0.06 0.05 1.58 -0.85 0.00 0.00 174.74 175.55