#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 7.08 -0.37 1.61 -4.77 -1.26 -4.76 116.67 114.20 2kcp s ASP 2 Ca 0.00 -3.15 0.05 0.00 -3.30 0.00 0.00 52.55 46.15 2kcp s ASP 2 Cb 0.00 -2.24 0.46 0.00 -1.09 0.00 0.00 42.92 40.05 2kcp s ASP 2 CO 0.00 -0.48 1.43 0.54 0.70 0.00 0.00 175.17 177.36 2kcp n ARG 3 N 3.68 3.04 -1.87 2.11 5.12 -1.26 -5.01 116.66 122.46 2kcp n ARG 3 Ca 0.22 -3.78 -0.32 0.00 -1.93 0.00 0.00 57.85 52.04 2kcp n ARG 3 Cb 0.43 -2.18 -0.04 0.00 -1.16 0.00 0.00 32.46 29.50 2kcp n ARG 3 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2kcp s ARG 4 N -3.58 2.36 0.13 5.56 3.52 -1.26 -4.97 118.95 120.71 2kcp s ARG 4 Ca 0.53 0.56 -0.01 0.00 -0.13 0.00 0.00 55.73 56.68 2kcp s ARG 4 Cb 0.43 -4.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.14 2kcp s ARG 4 CO 0.02 -3.23 0.31 0.14 -0.81 0.00 0.00 175.30 171.73 2kcp s VAL 5 N 10.74 5.28 -0.49 7.11 -7.23 -1.26 -5.03 120.40 129.53 2kcp s VAL 5 Ca 0.78 -0.36 0.11 0.00 -1.81 0.00 0.00 61.98 60.69 2kcp s VAL 5 Cb -0.12 -3.68 -0.12 0.00 0.56 0.00 0.00 36.38 33.02 2kcp s VAL 5 CO 0.15 -0.01 0.45 -2.11 -0.31 0.00 0.00 175.10 173.27 2kcp n ARG 6 N -0.18 3.30 -3.02 4.82 1.85 -1.26 -5.07 116.66 117.11 2kcp n ARG 6 Ca -0.05 -0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.66 2kcp n ARG 6 Cb 0.52 -1.02 0.01 0.00 -1.05 0.00 0.00 32.46 30.93 2kcp n ARG 6 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2kcp n LEU 7 N -1.28 -6.27 -4.68 2.89 0.00 -1.26 -4.95 117.00 101.44 2kcp n LEU 7 Ca 0.02 0.52 -0.37 0.00 0.00 0.00 0.00 56.01 56.18 2kcp n LEU 7 Cb 0.17 -2.80 -0.08 0.00 0.00 0.00 0.00 43.42 40.71 2kcp n LEU 7 CO 0.22 -1.87 -0.07 -0.51 0.00 0.00 0.00 177.39 175.16 2kcp s ILE 8 N -2.02 5.31 0.04 1.96 -1.16 -1.26 -5.08 121.20 118.99 2kcp s ILE 8 Ca 0.22 0.40 0.05 0.00 -0.51 0.00 0.00 60.65 60.81 2kcp s ILE 8 Cb -0.04 -3.58 -0.02 0.00 0.61 0.00 0.00 42.46 39.42 2kcp s ILE 8 CO 0.73 0.34 -0.15 -0.13 -2.81 0.00 0.00 174.94 172.92 2kcp s ARG 9 N 0.94 1.03 -0.06 3.50 0.52 -1.26 -5.15 118.95 118.48 2kcp s ARG 9 Ca 0.12 -0.79 -0.31 0.00 -0.52 0.00 0.00 55.73 54.23 2kcp s ARG 9 Cb -0.13 -1.06 0.13 0.00 0.52 0.00 0.00 34.95 34.40 2kcp s ARG 9 CO 0.04 0.27 1.37 -0.08 0.02 0.00 0.00 175.30 176.92 2kcp s THR 10 N -0.83 0.00 0.00 0.02 -1.32 -1.26 -5.08 115.64 107.17 2kcp s THR 10 Ca 0.03 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 2kcp s THR 10 Cb -0.08 -2.18 0.00 0.00 -1.51 0.00 0.00 72.50 68.73 2kcp s THR 10 CO 0.01 0.00 0.00 -2.11 -2.21 0.00 0.00 174.62 170.31 2kcp n ARG 11 N -0.58 0.00 -0.19 7.08 0.00 -1.26 -5.18 116.66 116.53 2kcp n ARG 11 Ca -0.07 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.81 2kcp n ARG 11 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 33.08 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 -1.48 -2.09 2.13 2.89 0.00 -1.26 -4.21 105.19 101.16 2kcp n GLY 12 Ca 0.00 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.10 3.46 0.05 -0.02 0.00 -1.26 -4.87 105.19 101.45 2kcp n GLY 13 Ca 0.00 -1.36 -0.00 0.00 0.00 0.00 0.00 46.02 44.66 2kcp n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kcp n ASN 14 N 2.57 1.69 -4.57 1.61 5.03 -1.26 -5.07 115.26 115.25 2kcp n ASN 14 Ca 0.52 -1.03 -0.42 0.00 0.87 0.00 0.00 54.58 54.52 2kcp n ASN 14 Cb 0.72 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.45 2kcp n ASN 14 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2kcp s THR 15 N -0.69 3.90 0.53 3.41 2.01 -1.26 -5.01 115.64 118.52 2kcp s THR 15 Ca 0.00 0.76 -0.07 0.00 0.31 0.00 0.00 61.69 62.69 2kcp s THR 15 Cb -0.00 -4.68 -0.03 0.00 0.01 0.00 0.00 72.50 67.80 2kcp s THR 15 CO 0.00 -1.38 0.86 -1.59 -0.69 0.00 0.00 174.62 171.82 2kcp s LYS 16 N 5.25 3.49 0.44 4.92 -2.85 -1.26 -5.07 119.74 124.66 2kcp s LYS 16 Ca 0.44 0.32 -0.24 0.00 -1.00 0.00 0.00 55.97 55.50 2kcp s LYS 16 Cb -0.08 -2.29 -0.08 0.00 -2.06 0.00 0.00 37.83 33.32 2kcp s LYS 16 CO 0.24 -0.35 1.15 0.08 0.10 0.00 0.00 175.35 176.57 2kcp s VAL 17 N -2.88 3.19 0.36 1.79 1.01 -1.26 -4.91 120.40 117.69 2kcp s VAL 17 Ca 0.50 0.92 0.19 0.00 0.00 0.00 0.00 61.98 63.59 2kcp s VAL 17 Cb -0.10 -3.48 0.35 0.00 0.00 0.00 0.00 36.38 33.14 2kcp s VAL 17 CO 0.47 0.01 1.61 0.08 0.00 0.00 0.00 175.10 177.28 2kcp h ARG 18 N 2.25 0.13 -3.10 2.72 0.11 -2.05 -3.38 114.38 111.06 2kcp h ARG 18 Ca -0.49 -0.01 -0.22 0.00 0.10 0.00 0.00 59.98 59.36 2kcp h ARG 18 Cb 1.24 -0.03 -0.31 0.00 1.11 0.00 0.00 29.97 31.98 2kcp h ARG 18 CO 0.61 0.09 -0.54 -1.17 0.10 0.00 0.00 179.97 179.06 2kcp s LEU 19 N -10.45 0.43 0.08 0.08 0.20 -1.26 -5.05 118.68 102.71 2kcp s LEU 19 Ca -0.09 0.43 0.00 0.00 0.69 0.00 0.00 54.13 55.16 2kcp s LEU 19 Cb 0.32 0.56 0.00 0.00 -0.43 0.00 0.00 46.19 46.65 2kcp s LEU 19 CO 0.79 -0.17 0.00 0.00 -0.29 0.00 0.00 176.35 176.67 2kcp n ALA 20 N 4.40 3.00 -1.76 5.97 0.00 -1.26 -4.97 120.51 125.89 2kcp n ALA 20 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2kcp n ALA 20 Cb 0.52 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.95 0.00 -0.93 0.00 2.88 -1.26 -4.87 113.62 106.50 2kcp n SER 21 Ca 0.00 -1.62 0.05 0.00 -1.33 0.00 0.00 58.87 55.97 2kcp n SER 21 Cb 0.00 -0.12 0.23 0.00 -0.75 0.00 0.00 64.21 63.57 2kcp n SER 21 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2kcp n ASP 22 N 0.00 3.39 -4.62 -3.46 5.75 -1.26 -5.02 116.55 111.33 2kcp n ASP 22 Ca 0.00 -3.24 -0.43 0.00 -0.01 0.00 0.00 54.79 51.11 2kcp n ASP 22 Cb 0.62 -0.57 -0.03 0.00 -1.03 0.00 0.00 41.12 40.12 2kcp n ASP 22 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2kcp s THR 23 N -2.96 3.32 0.13 2.12 2.01 -1.26 -4.96 115.64 114.04 2kcp s THR 23 Ca 0.42 0.35 -0.13 0.00 0.31 0.00 0.00 61.69 62.64 2kcp s THR 23 Cb 0.36 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.53 2kcp s THR 23 CO 0.06 -0.18 0.34 -0.13 -0.69 0.00 0.00 174.62 174.02 2kcp s ARG 24 N 5.39 1.07 -0.08 4.92 0.52 -1.26 -3.44 118.95 126.07 2kcp s ARG 24 Ca 0.85 -0.88 -0.13 0.00 -0.52 0.00 0.00 55.73 55.06 2kcp s ARG 24 Cb -0.30 0.43 0.03 0.00 0.52 0.00 0.00 34.95 35.62 2kcp s ARG 24 CO 0.34 -0.40 0.32 -1.50 0.02 0.00 0.00 175.30 174.07 2kcp s ILE 25 N -3.86 0.02 -0.51 1.52 2.07 0.13 -4.71 121.20 115.86 2kcp s ILE 25 Ca 0.07 -0.20 -0.29 0.00 -1.41 0.00 0.00 60.65 58.82 2kcp s ILE 25 Cb 0.03 -0.52 0.03 0.00 0.13 0.00 0.00 42.46 42.12 2kcp s ILE 25 CO -0.08 -0.11 1.22 0.20 -1.91 0.00 0.00 174.94 174.25 2kcp s ASN 26 N -0.45 6.49 -0.26 4.50 0.01 0.42 -1.33 114.94 124.31 2kcp s ASN 26 Ca -0.06 0.37 -0.16 0.00 -0.71 0.00 0.00 52.86 52.31 2kcp s ASN 26 Cb -0.04 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 2kcp s ASN 26 CO 0.02 -1.40 0.42 -0.69 -1.51 0.00 0.00 177.10 173.94 2kcp s VAL 27 N 4.90 5.15 -0.25 1.60 1.01 0.64 -0.79 120.40 132.66 2kcp s VAL 27 Ca 0.48 0.67 -0.06 0.00 0.00 0.00 0.00 61.98 63.08 2kcp s VAL 27 Cb -0.08 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2kcp s VAL 27 CO 0.29 0.14 0.03 -0.69 0.00 0.00 0.00 175.10 174.88 2kcp s VAL 28 N 2.08 3.85 -0.18 2.92 1.01 0.71 -0.70 120.40 130.09 2kcp s VAL 28 Ca 0.17 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 2kcp s VAL 28 Cb -0.16 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 2kcp s VAL 28 CO 0.09 0.28 1.34 -0.62 0.00 0.00 0.00 175.10 176.20 2kcp s ASP 29 N 1.52 6.83 0.35 3.32 -1.08 0.33 -0.67 116.67 127.27 2kcp s ASP 29 Ca 0.05 1.68 0.15 0.00 -0.52 0.00 0.00 52.55 53.91 2kcp s ASP 29 Cb -0.16 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.41 2kcp s ASP 29 CO 0.01 -0.87 1.74 -0.65 0.52 0.00 0.00 175.17 175.92 2kcp h PRO 30 N 8.73 0.00 0.10 4.34 0.11 -1.90 -0.21 132.00 143.17 2kcp h PRO 30 Ca -0.29 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.54 2kcp h PRO 30 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2kcp h PRO 30 CO 0.98 0.43 -1.47 0.93 -0.21 0.00 0.00 178.00 178.66 2kcp h GLU 31 N 0.00 0.21 0.00 1.05 5.08 -1.91 -3.39 114.58 115.61 2kcp h GLU 31 Ca -0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2kcp h GLU 31 Cb 0.86 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2kcp h GLU 31 CO 0.06 1.17 -1.30 0.25 -1.00 0.00 0.00 179.01 178.19 2kcp n THR 32 N -3.93 0.00 -1.99 1.13 -2.24 -1.26 -5.01 114.28 100.98 2kcp n THR 32 Ca -0.27 -0.26 -0.08 0.00 -2.27 0.00 0.00 64.05 61.17 2kcp n THR 32 Cb 0.89 0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 69.64 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 1.47 0.21 3.89 3.38 0.00 -0.09 -5.03 105.19 109.02 2kcp n GLY 33 Ca -0.00 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.10 3.41 -0.12 1.61 -2.85 -1.25 -4.84 119.74 111.59 2kcp s LYS 34 Ca 0.00 -0.32 -0.01 0.00 -1.00 0.00 0.00 55.97 54.63 2kcp s LYS 34 Cb 0.00 -3.08 -0.03 0.00 -2.06 0.00 0.00 37.83 32.66 2kcp s LYS 34 CO 0.00 0.68 -0.07 0.08 0.10 0.00 0.00 175.35 176.14 2kcp s VAL 35 N -1.29 3.63 -0.10 1.79 1.01 -1.26 -0.52 120.40 123.66 2kcp s VAL 35 Ca 0.26 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 2kcp s VAL 35 Cb -0.13 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.74 2kcp s VAL 35 CO 0.17 0.53 0.26 -0.70 0.00 0.00 0.00 175.10 175.37 2kcp s GLU 36 N -0.01 0.30 -0.15 2.72 2.56 0.13 -4.99 118.70 119.26 2kcp s GLU 36 Ca -0.01 0.37 -0.23 0.00 0.00 0.00 0.00 54.97 55.10 2kcp s GLU 36 Cb -0.14 0.14 -0.03 0.00 2.00 0.00 0.00 34.13 36.11 2kcp s GLU 36 CO 0.03 -0.04 0.71 0.42 -0.56 0.00 0.00 175.26 175.82 2kcp s ILE 37 N 0.17 4.99 0.18 -3.70 1.01 -1.26 -0.26 121.20 122.32 2kcp s ILE 37 Ca -0.00 1.41 0.10 0.00 0.00 0.00 0.00 60.65 62.15 2kcp s ILE 37 Cb -0.02 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2kcp s ILE 37 CO 0.00 0.13 -0.21 0.00 0.00 0.00 0.00 174.94 174.86 2kcp s ALA 38 N 1.63 2.26 -0.06 9.38 0.00 -0.44 -4.95 121.76 129.58 2kcp s ALA 38 Ca 0.34 -1.55 -0.19 0.00 0.00 0.00 0.00 51.96 50.56 2kcp s ALA 38 Cb -0.17 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 2kcp s ALA 38 CO 0.13 0.34 0.53 -1.21 0.00 0.00 0.00 175.76 175.55 2kcp s GLU 39 N -2.68 4.28 -0.36 0.00 8.01 -1.26 -0.69 118.70 126.00 2kcp s GLU 39 Ca 0.18 0.58 -0.27 0.00 0.01 0.00 0.00 54.97 55.47 2kcp s GLU 39 Cb -0.07 -3.37 0.02 0.00 -4.31 0.00 0.00 34.13 26.39 2kcp s GLU 39 CO 0.08 0.30 0.96 0.42 0.01 0.00 0.00 175.26 177.04 2kcp s ILE 40 N 0.09 4.56 -0.02 -1.63 1.01 -1.22 -2.17 121.20 121.83 2kcp s ILE 40 Ca 0.28 1.31 -0.22 0.00 0.00 0.00 0.00 60.65 62.02 2kcp s ILE 40 Cb -0.17 -4.36 -0.21 0.00 0.01 0.00 0.00 42.46 37.74 2kcp s ILE 40 CO 0.14 -0.53 1.14 0.03 0.00 0.00 0.00 174.94 175.71 2kcp h ARG 41 N 8.41 0.26 -3.71 2.79 3.08 -0.28 -3.46 114.38 121.48 2kcp h ARG 41 Ca -0.23 -0.23 -0.23 0.00 0.07 0.00 0.00 59.98 59.37 2kcp h ARG 41 Cb 1.07 0.05 -0.28 0.00 0.08 0.00 0.00 29.97 30.89 2kcp h ARG 41 CO 1.00 0.89 -0.71 1.21 -1.07 0.00 0.00 179.97 181.28 2kcp s ASN 42 N -6.32 -0.00 0.00 7.04 3.84 -0.95 -5.02 114.94 113.52 2kcp s ASN 42 Ca -0.15 0.01 0.16 0.00 0.21 0.00 0.00 52.86 53.09 2kcp s ASN 42 Cb 0.03 0.01 0.01 0.00 -0.55 0.00 0.00 41.25 40.74 2kcp s ASN 42 CO 0.76 -0.01 0.85 0.52 -2.79 0.00 0.00 177.10 176.43 2kcp n VAL 43 N 3.12 0.00 -1.75 -5.21 0.31 -1.26 -1.47 118.33 112.07 2kcp n VAL 43 Ca -0.13 -0.35 -0.40 0.00 -0.01 0.00 0.00 64.34 63.45 2kcp n VAL 43 Cb 0.60 1.19 -0.03 0.00 -0.91 0.00 0.00 33.84 34.69 2kcp n VAL 43 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2kcp s VAL 44 N -1.81 3.17 0.71 2.52 0.11 -1.26 -4.45 120.40 119.39 2kcp s VAL 44 Ca 0.13 0.14 -0.14 0.00 -2.93 0.00 0.00 61.98 59.18 2kcp s VAL 44 Cb 0.13 -3.31 0.03 0.00 -1.53 0.00 0.00 36.38 31.70 2kcp s VAL 44 CO 0.38 -0.25 1.15 -1.83 -3.33 0.00 0.00 175.10 171.21 2kcp s GLU 45 N 6.99 2.38 0.00 1.54 -1.05 -1.22 -4.88 118.70 122.47 2kcp s GLU 45 Ca 0.89 1.52 -0.01 0.00 -0.15 0.00 0.00 54.97 57.22 2kcp s GLU 45 Cb -0.22 -1.89 -0.03 0.00 -0.44 0.00 0.00 34.13 31.56 2kcp s GLU 45 CO 0.29 -1.60 2.04 0.27 0.95 0.00 0.00 175.26 177.22 2kcp n ASN 46 N -2.75 5.03 0.22 0.83 6.94 -1.26 -4.44 115.26 119.83 2kcp n ASN 46 Ca 0.11 -2.34 -0.15 0.00 -0.02 0.00 0.00 54.58 52.19 2kcp n ASN 46 Cb 0.51 -1.09 -0.08 0.00 -2.36 0.00 0.00 39.78 36.76 2kcp n ASN 46 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kcp h THR 47 N 1.16 0.58 0.00 5.53 1.03 -1.91 -3.46 112.91 115.84 2kcp h THR 47 Ca 0.02 -0.32 0.00 0.00 -0.01 0.00 0.00 66.41 66.10 2kcp h THR 47 Cb 0.99 0.73 0.00 0.00 -1.07 0.00 0.00 68.15 68.80 2kcp h THR 47 CO 0.03 0.06 0.00 0.00 -0.01 0.00 0.00 175.52 175.59 2kcp n ALA 48 N -2.44 0.00 -3.35 0.00 0.00 -1.26 -4.88 120.51 108.58 2kcp n ALA 48 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.07 2kcp n ALA 48 Cb 0.28 -0.70 -0.09 0.00 0.00 0.00 0.00 19.45 18.93 2kcp n ALA 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kcp n ASN 49 N -0.10 -0.35 -4.59 0.00 0.23 -1.26 -5.10 115.26 104.09 2kcp n ASN 49 Ca 0.00 -2.44 -0.42 0.00 -0.53 0.00 0.00 54.58 51.19 2kcp n ASN 49 Cb 0.05 -0.57 -0.03 0.00 -2.08 0.00 0.00 39.78 37.15 2kcp n ASN 49 CO 0.00 0.00 0.00 -2.84 -0.93 0.00 0.00 177.26 173.49 2kcp s PRO 50 N -0.22 3.16 0.11 -0.53 0.02 -1.26 -4.89 135.00 131.39 2kcp s PRO 50 Ca 0.33 1.41 -0.13 0.00 0.02 0.00 0.00 61.00 62.64 2kcp s PRO 50 Cb 0.07 -4.26 -0.14 0.00 0.02 0.00 0.00 34.50 30.19 2kcp s PRO 50 CO -0.18 -2.06 1.33 0.45 -0.33 0.00 0.00 177.00 176.21 2kcp h HIS 51 N 13.73 1.09 0.00 6.54 3.86 -2.00 -3.41 115.15 134.96 2kcp h HIS 51 Ca -0.33 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 58.43 2kcp h HIS 51 Cb 1.18 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.47 2kcp h HIS 51 CO 0.97 1.29 -0.00 1.97 0.86 0.00 0.00 177.93 183.01 2kcp n PHE 52 N -3.97 0.00 -3.58 2.45 -1.74 -1.26 -5.12 117.46 104.24 2kcp n PHE 52 Ca -0.07 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.69 2kcp n PHE 52 Cb 0.71 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.66 2kcp n PHE 52 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2kcp s VAL 53 N -0.00 0.03 0.23 1.97 0.11 -1.26 -5.15 120.40 116.33 2kcp s VAL 53 Ca 0.00 -0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 58.50 2kcp s VAL 53 Cb 0.00 -0.97 -0.09 0.00 -1.53 0.00 0.00 36.38 33.78 2kcp s VAL 53 CO 0.00 -0.14 1.38 0.00 -3.33 0.00 0.00 175.10 173.01 2kcp s ARG 54 N -2.44 4.32 -0.19 1.54 3.03 -1.26 -4.65 118.95 119.29 2kcp s ARG 54 Ca -0.05 2.19 -0.07 0.00 2.03 0.00 0.00 55.73 59.83 2kcp s ARG 54 Cb -0.01 -3.15 -0.04 0.00 -1.03 0.00 0.00 34.95 30.73 2kcp s ARG 54 CO -0.02 -0.34 0.06 1.03 -1.13 0.00 0.00 175.30 174.90 2kcp s ARG 55 N -0.28 3.93 -0.25 3.89 0.52 -1.26 -4.93 118.95 120.57 2kcp s ARG 55 Ca 0.58 -0.36 0.20 0.00 -0.52 0.00 0.00 55.73 55.62 2kcp s ARG 55 Cb -0.39 -3.24 0.46 0.00 0.52 0.00 0.00 34.95 32.30 2kcp s ARG 55 CO 0.41 0.20 1.22 0.27 0.02 0.00 0.00 175.30 177.43 2kcp n ASN 56 N 3.76 0.65 -4.61 0.23 6.94 -1.26 -3.41 115.26 117.56 2kcp n ASN 56 Ca -0.16 -2.07 -0.41 0.00 -0.02 0.00 0.00 54.58 51.92 2kcp n ASN 56 Cb 0.52 -0.14 -0.07 0.00 -2.36 0.00 0.00 39.78 37.74 2kcp n ASN 56 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2kcp s ILE 57 N -2.35 4.99 -0.94 1.53 1.01 -1.26 -4.73 121.20 119.45 2kcp s ILE 57 Ca 0.22 0.93 -0.24 0.00 0.00 0.00 0.00 60.65 61.55 2kcp s ILE 57 Cb 0.35 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.83 2kcp s ILE 57 CO -0.07 -0.04 1.96 -0.63 0.00 0.00 0.00 174.94 176.16 2kcp s ILE 58 N 2.50 3.45 0.30 2.92 1.01 -1.26 -4.80 121.20 125.32 2kcp s ILE 58 Ca 0.24 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.48 2kcp s ILE 58 Cb -0.15 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 2kcp s ILE 58 CO 0.10 -0.93 0.13 0.28 0.00 0.00 0.00 174.94 174.52 2kcp s THR 59 N 10.33 0.50 -0.09 2.92 -1.32 -1.26 -4.55 115.64 122.17 2kcp s THR 59 Ca 0.70 -2.00 -0.30 0.00 -1.21 0.00 0.00 61.69 58.88 2kcp s THR 59 Cb -0.06 -2.56 -0.08 0.00 -1.51 0.00 0.00 72.50 68.29 2kcp s THR 59 CO 0.01 0.00 2.06 -1.14 -2.21 0.00 0.00 174.62 173.35 2kcp n ARG 60 N -0.59 2.36 0.00 7.08 0.63 -1.26 -1.02 116.66 123.85 2kcp n ARG 60 Ca -0.00 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 2kcp n ARG 60 Cb 0.65 -3.01 0.00 0.00 0.45 0.00 0.00 32.46 30.55 2kcp n ARG 60 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kcp n GLY 61 N 5.08 1.24 3.76 5.14 0.00 0.11 -5.00 105.19 115.52 2kcp n GLY 61 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.25 3.44 -0.23 4.61 0.00 -0.19 -4.73 121.76 122.40 2kcp s ALA 62 Ca 0.00 1.00 -0.05 0.00 0.00 0.00 0.00 51.96 52.91 2kcp s ALA 62 Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 2kcp s ALA 62 CO 0.00 -0.31 -0.02 0.08 0.00 0.00 0.00 175.76 175.52 2kcp s VAL 63 N -1.00 3.56 0.26 0.00 1.01 -1.26 -0.79 120.40 122.18 2kcp s VAL 63 Ca 0.47 -0.47 0.10 0.00 0.00 0.00 0.00 61.98 62.08 2kcp s VAL 63 Cb -0.34 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2kcp s VAL 63 CO 0.43 0.38 -0.06 0.68 0.00 0.00 0.00 175.10 176.53 2kcp s VAL 64 N 1.50 3.19 -0.21 2.92 -7.23 -0.79 -4.18 120.40 115.60 2kcp s VAL 64 Ca 0.06 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.11 2kcp s VAL 64 Cb -0.15 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 2kcp s VAL 64 CO -0.02 -0.34 0.22 -0.70 -0.31 0.00 0.00 175.10 173.95 2kcp s GLU 65 N -3.52 4.14 0.46 4.82 2.56 -0.54 -1.04 118.70 125.58 2kcp s GLU 65 Ca 0.30 -0.10 0.03 0.00 0.00 0.00 0.00 54.97 55.19 2kcp s GLU 65 Cb -0.06 -3.50 -0.02 0.00 2.00 0.00 0.00 34.13 32.55 2kcp s GLU 65 CO 0.18 0.11 0.08 0.95 -0.56 0.00 0.00 175.26 176.02 2kcp s THR 66 N 0.89 0.81 -0.24 -1.70 -4.23 0.84 0.48 115.64 112.48 2kcp s THR 66 Ca 0.11 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.89 2kcp s THR 66 Cb -0.13 -2.23 0.28 0.00 1.34 0.00 0.00 72.50 71.77 2kcp s THR 66 CO 0.04 0.00 1.80 -0.55 -0.54 0.00 0.00 174.62 175.37 2kcp h ASN 67 N 1.56 0.00 0.38 3.99 -1.07 -1.80 -2.02 115.58 116.62 2kcp h ASN 67 Ca -0.39 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 55.90 2kcp h ASN 67 Cb 1.30 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.53 2kcp h ASN 67 CO 0.64 0.00 -1.69 0.18 0.07 0.00 0.00 177.43 176.62 2kcp n LEU 68 N -2.47 0.37 0.00 6.14 4.77 -1.26 -5.07 117.00 119.48 2kcp n LEU 68 Ca 0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2kcp n LEU 68 Cb 0.20 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2kcp n LEU 68 CO 0.20 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2kcp n GLY 69 N 1.33 0.74 3.73 -0.72 0.00 -0.76 -5.08 105.19 104.43 2kcp n GLY 69 Ca -0.08 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 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 7.39 -0.17 1.61 0.02 -1.06 -0.12 114.94 118.62 2kcp s ASN 70 Ca 0.00 1.67 0.01 0.00 -1.02 0.00 0.00 52.86 53.52 2kcp s ASN 70 Cb 0.00 -2.55 0.02 0.00 0.02 0.00 0.00 41.25 38.74 2kcp s ASN 70 CO 0.00 -0.10 -0.17 -0.69 0.02 0.00 0.00 177.10 176.16 2kcp s VAL 71 N 0.26 1.89 -0.32 1.60 1.01 -0.20 -0.26 120.40 124.36 2kcp s VAL 71 Ca 0.46 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 2kcp s VAL 71 Cb -0.22 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 2kcp s VAL 71 CO 0.28 0.48 0.60 -0.60 0.00 0.00 0.00 175.10 175.86 2kcp s ARG 72 N 1.35 3.81 -0.02 2.72 3.52 0.34 -1.89 118.95 128.79 2kcp s ARG 72 Ca 0.04 0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 55.51 2kcp s ARG 72 Cb -0.13 -3.75 -0.08 0.00 -1.56 0.00 0.00 34.95 29.42 2kcp s ARG 72 CO -0.12 -0.61 1.97 0.08 -0.81 0.00 0.00 175.30 175.82 2kcp s VAL 73 N 2.57 3.08 -0.25 7.11 1.01 0.03 -0.81 120.40 133.15 2kcp s VAL 73 Ca 0.23 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 2kcp s VAL 73 Cb -0.15 -3.07 -0.16 0.00 0.00 0.00 0.00 36.38 33.01 2kcp s VAL 73 CO 0.13 -0.02 -0.16 0.35 0.00 0.00 0.00 175.10 175.40 2kcp n THR 74 N 5.93 1.54 -4.00 3.92 -2.24 0.13 -0.71 114.28 118.85 2kcp n THR 74 Ca 0.21 -0.38 -0.36 0.00 -2.27 0.00 0.00 64.05 61.25 2kcp n THR 74 Cb 0.42 -1.80 -0.07 0.00 -2.10 0.00 0.00 70.33 66.77 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 -7.14 6.04 0.24 3.42 0.01 -0.71 -4.82 113.70 110.74 2kcp s SER 75 Ca -0.35 0.34 -0.30 0.00 1.31 0.00 0.00 55.95 56.95 2kcp s SER 75 Cb 0.11 -1.92 -0.10 0.00 0.21 0.00 0.00 66.02 64.32 2kcp s SER 75 CO 0.56 0.36 1.49 -0.13 0.41 0.00 0.00 173.24 175.93 2kcp s ARG 76 N -0.76 4.23 -0.70 12.44 0.52 -1.26 -4.01 118.95 129.41 2kcp s ARG 76 Ca 0.13 2.36 -0.28 0.00 -0.52 0.00 0.00 55.73 57.42 2kcp s ARG 76 Cb -0.12 -3.11 -0.13 0.00 0.52 0.00 0.00 34.95 32.11 2kcp s ARG 76 CO 0.03 -0.49 2.53 -2.30 0.02 0.00 0.00 175.30 175.09 2kcp n PRO 77 N 2.67 0.62 0.00 3.54 -0.02 -1.26 -2.57 135.00 137.97 2kcp n PRO 77 Ca 0.09 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2kcp n PRO 77 Cb 0.39 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 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 6.21 0.73 3.62 -1.23 0.00 -1.21 -4.98 105.19 108.33 2kcp n GLY 78 Ca 0.49 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 2kcp n GLY 78 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kcp s GLN 79 N 0.00 3.42 -0.94 1.61 -1.52 -1.06 -0.60 119.66 120.57 2kcp s GLN 79 Ca 0.00 2.20 0.00 0.00 -1.95 0.00 0.00 55.36 55.61 2kcp s GLN 79 Cb 0.00 -4.31 0.00 0.00 -0.22 0.00 0.00 33.01 28.48 2kcp s GLN 79 CO 0.00 -1.78 0.00 -3.47 -0.25 0.00 0.00 175.29 169.79 2kcp n ASP 80 N 10.50 -5.03 0.00 5.90 2.03 -1.26 -1.84 116.55 126.85 2kcp n ASP 80 Ca 0.27 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.80 2kcp n ASP 80 Cb 0.44 -3.31 0.00 0.00 -0.72 0.00 0.00 41.12 37.53 2kcp n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcp n GLY 81 N -0.61 0.62 3.52 0.27 0.00 0.23 -5.00 105.19 104.23 2kcp n GLY 81 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.78 1.76 -0.17 1.61 0.11 -0.76 -4.68 120.40 115.48 2kcp s VAL 82 Ca 0.00 -2.07 -0.06 0.00 -2.93 0.00 0.00 61.98 56.93 2kcp s VAL 82 Cb 0.00 -2.75 -0.03 0.00 -1.53 0.00 0.00 36.38 32.07 2kcp s VAL 82 CO 0.00 -0.11 0.01 -0.63 -3.33 0.00 0.00 175.10 171.04 2kcp s ILE 83 N -2.91 4.31 -0.03 7.04 1.01 -1.26 -3.31 121.20 126.05 2kcp s ILE 83 Ca 0.34 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.82 2kcp s ILE 83 Cb 0.07 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 2kcp s ILE 83 CO 0.16 0.47 -0.13 0.20 0.00 0.00 0.00 174.94 175.63 2kcp s ASN 84 N 0.46 4.12 0.31 3.58 -0.87 -1.26 -0.44 114.94 120.85 2kcp s ASN 84 Ca -0.00 -0.21 -0.15 0.00 -1.57 0.00 0.00 52.86 50.93 2kcp s ASN 84 Cb -0.13 -0.87 0.02 0.00 -0.02 0.00 0.00 41.25 40.25 2kcp s ASN 84 CO 0.02 0.33 0.65 -0.83 -2.57 0.00 0.00 177.10 174.70 2kcp s GLY 85 N -0.92 0.39 0.09 0.66 0.00 0.03 -0.70 107.32 106.88 2kcp s GLY 85 Ca 0.13 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 44.15 2kcp s GLY 85 CO 0.02 -0.40 0.10 -1.34 0.00 0.00 0.00 173.10 171.48 2kcp s VAL 86 N -3.35 4.60 -0.53 1.40 -7.23 0.01 -0.21 120.40 115.08 2kcp s VAL 86 Ca 0.17 -0.78 -0.27 0.00 -1.81 0.00 0.00 61.98 59.29 2kcp s VAL 86 Cb -0.04 -3.24 0.03 0.00 0.56 0.00 0.00 36.38 33.70 2kcp s VAL 86 CO 0.10 0.09 1.09 -0.22 -0.31 0.00 0.00 175.10 175.86 2kcp s LEU 87 N -2.51 3.71 0.44 1.32 2.96 0.16 -0.50 118.68 124.26 2kcp s LEU 87 Ca 0.30 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.36 2kcp s LEU 87 Cb -0.12 -3.20 -0.05 0.00 0.50 0.00 0.00 46.19 43.32 2kcp s LEU 87 CO 0.23 -1.31 0.01 0.27 -1.32 0.00 0.00 176.35 174.23 2kcp s ILE 88 N 4.46 1.63 -0.51 6.68 -4.36 0.64 -4.38 121.20 125.35 2kcp s ILE 88 Ca 0.41 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.86 2kcp s ILE 88 Cb -0.09 -2.66 0.23 0.00 1.25 0.00 0.00 42.46 41.19 2kcp s ILE 88 CO 0.26 0.00 0.56 0.54 0.24 0.00 0.00 174.94 176.54 2kcp n ARG 89 N -1.07 1.34 -0.07 0.37 5.12 -1.26 -2.55 116.66 118.54 2kcp n ARG 89 Ca -0.10 -3.82 -0.07 0.00 -1.93 0.00 0.00 57.85 51.93 2kcp n ARG 89 Cb 0.67 -1.74 -0.04 0.00 -1.16 0.00 0.00 32.46 30.19 2kcp n ARG 89 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2kcp h GLU 90 N 4.46 0.00 -7.04 5.56 4.39 -1.99 -3.47 114.58 116.49 2kcp h GLU 90 Ca 0.15 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.31 2kcp h GLU 90 Cb 0.80 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.57 2kcp h GLU 90 CO 0.60 0.31 0.60 -0.51 -1.16 0.00 0.00 179.01 178.85 2kcp s LEU 91 N -8.32 3.90 0.00 1.33 1.43 -1.26 -4.98 118.68 110.78 2kcp s LEU 91 Ca -0.11 2.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 2kcp s LEU 91 Cb 0.01 -4.23 0.00 0.00 0.03 0.00 0.00 46.19 41.99 2kcp s LEU 91 CO 0.26 -1.45 0.49 1.21 0.23 0.00 0.00 176.35 177.09 2kcp n GLU 92 N -0.87 0.00 -3.86 1.70 4.07 -1.26 -4.57 120.64 115.85 2kcp n GLU 92 Ca 0.09 0.16 -0.36 0.00 -0.06 0.00 0.00 57.16 57.00 2kcp n GLU 92 Cb 0.45 -0.99 -0.14 0.00 -0.06 0.00 0.00 31.44 30.70 2kcp n GLU 92 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2kcp s HIS 93 N -0.98 3.04 -0.90 4.31 3.76 -1.26 -4.98 115.29 118.28 2kcp s HIS 93 Ca 0.00 -1.03 0.05 0.00 -0.15 0.00 0.00 55.06 53.92 2kcp s HIS 93 Cb 0.00 -2.15 0.25 0.00 1.11 0.00 0.00 32.58 31.80 2kcp s HIS 93 CO 0.00 -0.58 0.92 0.72 -0.85 0.00 0.00 174.74 174.96 2kcp n HIS 94 N 4.80 0.62 0.17 1.40 8.25 -1.26 -3.94 115.22 125.26 2kcp n HIS 94 Ca -0.17 -0.22 -0.05 0.00 -0.26 0.00 0.00 57.72 57.02 2kcp n HIS 94 Cb 0.49 -0.21 0.10 0.00 1.12 0.00 0.00 29.99 31.50 2kcp n HIS 94 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kcp n HIS 95 N 0.20 1.09 -1.51 4.41 -0.00 -1.26 -4.94 115.22 113.20 2kcp n HIS 95 Ca 0.09 -0.79 -0.43 0.00 -0.00 0.00 0.00 57.72 56.58 2kcp n HIS 95 Cb 0.51 -0.44 -0.06 0.00 -0.00 0.00 0.00 29.99 30.00 2kcp n HIS 95 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kcp n HIS 96 N -0.02 1.45 0.26 1.57 8.25 -1.25 -4.80 115.22 120.67 2kcp n HIS 96 Ca 0.20 0.18 0.14 0.00 -0.26 0.00 0.00 57.72 57.97 2kcp n HIS 96 Cb 0.85 -2.58 0.62 0.00 1.12 0.00 0.00 29.99 30.01 2kcp n HIS 96 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kcp h HIS 97 N 15.14 0.00 0.00 4.41 6.17 -1.95 -3.54 115.15 135.38 2kcp h HIS 97 Ca -0.25 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.83 2kcp h HIS 97 Cb 1.29 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.22 2kcp h HIS 97 CO 0.98 0.10 0.00 -2.39 0.71 0.00 0.00 177.93 177.33