#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcp n ASP 2 N 0.00 0.23 -4.23 1.61 5.68 -1.26 -5.12 116.55 113.46 2kcp n ASP 2 Ca 0.00 -1.55 -0.24 0.00 -0.50 0.00 0.00 54.79 52.50 2kcp n ASP 2 Cb 0.00 -0.98 -0.09 0.00 -1.14 0.00 0.00 41.12 38.91 2kcp n ASP 2 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2kcp s ARG 3 N -5.82 1.85 -0.42 0.11 1.81 -1.26 -4.97 118.95 110.24 2kcp s ARG 3 Ca 0.74 -2.10 -0.13 0.00 -1.72 0.00 0.00 55.73 52.52 2kcp s ARG 3 Cb -0.02 -0.68 0.02 0.00 -0.45 0.00 0.00 34.95 33.81 2kcp s ARG 3 CO 0.52 -0.40 0.56 0.54 -0.68 0.00 0.00 175.30 175.84 2kcp n ARG 4 N -0.85 -2.06 -2.73 3.54 3.00 -1.26 -5.03 116.66 111.27 2kcp n ARG 4 Ca -0.05 1.92 -0.29 0.00 -0.01 0.00 0.00 57.85 59.41 2kcp n ARG 4 Cb 0.65 -5.32 -0.02 0.00 0.00 0.00 0.00 32.46 27.78 2kcp n ARG 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2kcp s VAL 5 N -2.52 4.84 -1.94 1.55 -7.23 -1.26 -4.06 120.40 109.78 2kcp s VAL 5 Ca 0.20 0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 2kcp s VAL 5 Cb -0.06 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.09 2kcp s VAL 5 CO 0.70 -0.68 0.00 0.54 -0.31 0.00 0.00 175.10 175.35 2kcp n ARG 6 N -1.75 -1.56 0.13 4.82 1.74 -1.26 -4.85 116.66 113.93 2kcp n ARG 6 Ca 0.02 1.09 0.12 0.00 -0.77 0.00 0.00 57.85 58.31 2kcp n ARG 6 Cb 0.54 -5.56 0.47 0.00 -1.02 0.00 0.00 32.46 26.89 2kcp n ARG 6 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2kcp n LEU 7 N -2.57 0.71 -4.85 0.55 7.94 -1.26 -4.73 117.00 112.80 2kcp n LEU 7 Ca -0.21 0.65 -0.37 0.00 -1.11 0.00 0.00 56.01 54.96 2kcp n LEU 7 Cb 0.66 -0.52 -0.06 0.00 0.53 0.00 0.00 43.42 44.03 2kcp n LEU 7 CO 0.29 -0.48 0.01 -0.51 -1.11 0.00 0.00 177.39 175.59 2kcp s ILE 8 N -3.27 5.20 0.06 1.96 -1.16 -1.26 -5.09 121.20 117.64 2kcp s ILE 8 Ca 0.06 0.58 -0.26 0.00 -0.51 0.00 0.00 60.65 60.52 2kcp s ILE 8 Cb 0.10 -3.60 0.07 0.00 0.61 0.00 0.00 42.46 39.64 2kcp s ILE 8 CO 0.44 0.57 0.61 0.00 -2.81 0.00 0.00 174.94 173.75 2kcp s ARG 9 N -1.14 1.15 -0.08 3.50 1.04 -1.26 -5.19 118.95 116.98 2kcp s ARG 9 Ca 0.21 -0.16 -0.19 0.00 -1.04 0.00 0.00 55.73 54.55 2kcp s ARG 9 Cb -0.15 0.54 0.04 0.00 -2.04 0.00 0.00 34.95 33.34 2kcp s ARG 9 CO 0.11 -0.44 0.45 0.99 -0.04 0.00 0.00 175.30 176.36 2kcp s THR 10 N -2.58 0.02 0.00 4.99 2.01 -1.26 -5.05 115.64 113.78 2kcp s THR 10 Ca -0.04 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.75 2kcp s THR 10 Cb -0.01 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.79 2kcp s THR 10 CO -0.03 -0.11 0.00 -2.11 -0.69 0.00 0.00 174.62 171.68 2kcp n ARG 11 N 1.74 0.29 0.00 4.92 -4.01 -1.26 -5.09 116.66 113.26 2kcp n ARG 11 Ca -0.18 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.63 2kcp n ARG 11 Cb 0.56 -0.98 0.00 0.00 -3.04 0.00 0.00 32.46 29.01 2kcp n ARG 11 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2kcp n GLY 12 N 2.38 1.39 0.43 2.89 0.00 -1.26 -4.93 105.19 106.08 2kcp n GLY 12 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 -1.32 3.49 -0.02 0.00 -1.26 -5.15 105.19 100.93 2kcp n GLY 13 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 2kcp n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kcp s ASN 14 N 0.00 0.51 -0.32 1.61 3.84 -1.26 -5.11 114.94 114.21 2kcp s ASN 14 Ca 0.00 -1.30 -0.28 0.00 0.21 0.00 0.00 52.86 51.49 2kcp s ASN 14 Cb 0.00 0.61 -0.04 0.00 -0.55 0.00 0.00 41.25 41.27 2kcp s ASN 14 CO 0.00 -1.20 2.06 -0.89 -2.79 0.00 0.00 177.10 174.28 2kcp s THR 15 N -3.47 3.21 0.49 -5.21 2.01 -1.26 -4.96 115.64 106.45 2kcp s THR 15 Ca 0.29 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.50 2kcp s THR 15 Cb 0.00 -3.31 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 2kcp s THR 15 CO 0.16 -0.22 0.05 -0.54 -0.69 0.00 0.00 174.62 173.37 2kcp s LYS 16 N 6.39 2.14 0.80 4.92 -0.14 -1.26 -5.15 119.74 127.44 2kcp s LYS 16 Ca 0.90 -2.36 -0.10 0.00 -1.36 0.00 0.00 55.97 53.05 2kcp s LYS 16 Cb -0.26 -1.22 0.07 0.00 -1.68 0.00 0.00 37.83 34.75 2kcp s LYS 16 CO 0.32 -0.43 1.10 0.54 -0.76 0.00 0.00 175.35 176.12 2kcp s VAL 17 N -2.99 3.12 0.49 3.17 0.11 -1.26 -4.91 120.40 118.14 2kcp s VAL 17 Ca 0.09 0.36 0.32 0.00 -2.93 0.00 0.00 61.98 59.83 2kcp s VAL 17 Cb 0.01 -2.79 0.52 0.00 -1.53 0.00 0.00 36.38 32.59 2kcp s VAL 17 CO 0.06 -0.47 1.75 0.08 -3.33 0.00 0.00 175.10 173.19 2kcp h ARG 18 N -1.26 0.12 -0.95 1.54 0.11 -2.01 -3.37 114.38 108.55 2kcp h ARG 18 Ca -0.44 -0.01 0.09 0.00 0.10 0.00 0.00 59.98 59.73 2kcp h ARG 18 Cb 1.24 -0.03 -0.21 0.00 1.11 0.00 0.00 29.97 32.08 2kcp h ARG 18 CO 0.50 0.08 -0.25 -1.17 0.10 0.00 0.00 179.97 179.22 2kcp s LEU 19 N -8.81 -1.35 -1.03 0.08 0.20 -1.26 -4.87 118.68 101.64 2kcp s LEU 19 Ca -0.06 0.77 -0.06 0.00 0.69 0.00 0.00 54.13 55.47 2kcp s LEU 19 Cb 0.25 2.10 0.26 0.00 -0.43 0.00 0.00 46.19 48.37 2kcp s LEU 19 CO 0.81 -0.25 0.99 0.00 -0.29 0.00 0.00 176.35 177.61 2kcp n ALA 20 N 5.43 4.07 -1.25 5.97 0.00 -1.26 -4.75 120.51 128.71 2kcp n ALA 20 Ca -0.01 -4.64 -0.09 0.00 0.00 0.00 0.00 53.44 48.70 2kcp n ALA 20 Cb 0.51 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.78 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 2.50 -5.36 -3.76 0.00 7.64 -1.26 -4.95 113.62 108.43 2kcp n SER 21 Ca 0.23 0.22 -0.15 0.00 1.01 0.00 0.00 58.87 60.18 2kcp n SER 21 Cb 0.38 -3.63 -0.15 0.00 -1.01 0.00 0.00 64.21 59.79 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 -2.40 0.02 -0.38 6.43 -1.08 -1.26 -5.13 116.67 112.87 2kcp s ASP 22 Ca 0.00 0.14 -0.21 0.00 -0.52 0.00 0.00 52.55 51.96 2kcp s ASP 22 Cb 0.00 0.03 0.01 0.00 -1.46 0.00 0.00 42.92 41.49 2kcp s ASP 22 CO 0.00 -0.14 0.66 -0.89 0.52 0.00 0.00 175.17 175.33 2kcp s THR 23 N 1.13 4.84 0.26 1.71 2.01 -1.26 -4.88 115.64 119.45 2kcp s THR 23 Ca -0.09 0.53 0.04 0.00 0.31 0.00 0.00 61.69 62.49 2kcp s THR 23 Cb -0.12 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 2kcp s THR 23 CO -0.04 -0.40 -0.01 -0.13 -0.69 0.00 0.00 174.62 173.34 2kcp s ARG 24 N 2.81 1.44 -0.21 4.92 1.81 -1.26 -2.15 118.95 126.32 2kcp s ARG 24 Ca 0.25 -1.74 -0.19 0.00 -1.72 0.00 0.00 55.73 52.34 2kcp s ARG 24 Cb -0.14 -0.81 0.05 0.00 -0.45 0.00 0.00 34.95 33.60 2kcp s ARG 24 CO 0.16 -0.07 0.55 -1.50 -0.68 0.00 0.00 175.30 173.76 2kcp s ILE 25 N -3.28 -0.00 -0.64 1.52 2.07 -0.26 -4.72 121.20 115.89 2kcp s ILE 25 Ca 0.30 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.27 2kcp s ILE 25 Cb 0.05 -0.76 0.03 0.00 0.13 0.00 0.00 42.46 41.92 2kcp s ILE 25 CO 0.10 0.00 1.19 0.20 -1.91 0.00 0.00 174.94 174.53 2kcp s ASN 26 N 0.32 6.32 -0.22 4.50 0.01 0.59 -0.34 114.94 126.12 2kcp s ASN 26 Ca -0.00 -0.18 -0.24 0.00 -0.71 0.00 0.00 52.86 51.72 2kcp s ASN 26 Cb -0.04 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 2kcp s ASN 26 CO 0.00 -1.59 0.80 -0.69 -1.51 0.00 0.00 177.10 174.12 2kcp s VAL 27 N 5.11 4.87 -0.40 1.60 1.01 0.88 -1.06 120.40 132.41 2kcp s VAL 27 Ca 0.38 1.54 -0.17 0.00 0.00 0.00 0.00 61.98 63.73 2kcp s VAL 27 Cb -0.08 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2kcp s VAL 27 CO 0.20 -0.02 0.41 -0.69 0.00 0.00 0.00 175.10 175.00 2kcp s VAL 28 N 2.53 5.12 -0.31 2.92 1.01 0.97 -1.14 120.40 131.51 2kcp s VAL 28 Ca 0.35 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 2kcp s VAL 28 Cb -0.16 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.25 2kcp s VAL 28 CO 0.09 -0.33 1.19 -0.62 0.00 0.00 0.00 175.10 175.43 2kcp s ASP 29 N 1.78 6.80 0.52 3.32 -1.08 -0.22 -1.07 116.67 126.73 2kcp s ASP 29 Ca 0.12 1.15 0.30 0.00 -0.52 0.00 0.00 52.55 53.59 2kcp s ASP 29 Cb -0.17 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 39.79 2kcp s ASP 29 CO 0.13 -0.98 1.87 1.55 0.52 0.00 0.00 175.17 178.26 2kcp h PRO 30 N 8.68 0.00 0.06 4.34 0.13 -1.90 0.53 132.00 143.85 2kcp h PRO 30 Ca -0.24 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.60 2kcp h PRO 30 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2kcp h PRO 30 CO 1.03 0.00 -1.55 0.93 -0.23 0.00 0.00 178.00 178.19 2kcp h GLU 31 N 0.00 0.14 0.00 0.86 4.39 -1.91 -3.39 114.58 114.66 2kcp h GLU 31 Ca -0.00 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 2kcp h GLU 31 Cb 0.67 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2kcp h GLU 31 CO 0.00 0.92 -1.19 0.25 -1.16 0.00 0.00 179.01 177.83 2kcp n THR 32 N -3.32 0.03 -1.39 1.13 -2.24 -1.23 -5.04 114.28 102.23 2kcp n THR 32 Ca -0.16 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2kcp n THR 32 Cb 1.03 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 2.34 0.51 3.89 3.38 0.00 0.18 -5.05 105.19 110.45 2kcp n GLY 33 Ca -0.01 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.84 3.70 -0.26 1.61 -2.85 -1.23 -4.83 119.74 113.04 2kcp s LYS 34 Ca 0.00 0.32 0.02 0.00 -1.00 0.00 0.00 55.97 55.30 2kcp s LYS 34 Cb 0.00 -2.44 0.05 0.00 -2.06 0.00 0.00 37.83 33.39 2kcp s LYS 34 CO 0.00 -0.03 -0.10 0.08 0.10 0.00 0.00 175.35 175.41 2kcp s VAL 35 N -2.40 2.36 -0.02 1.79 1.01 -1.26 -1.05 120.40 120.82 2kcp s VAL 35 Ca 0.49 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2kcp s VAL 35 Cb -0.10 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.95 2kcp s VAL 35 CO 0.34 0.04 -0.08 -0.70 0.00 0.00 0.00 175.10 174.70 2kcp s GLU 36 N 1.17 0.79 -0.10 2.72 2.12 -0.29 -4.92 118.70 120.19 2kcp s GLU 36 Ca -0.06 -0.26 -0.30 0.00 0.36 0.00 0.00 54.97 54.71 2kcp s GLU 36 Cb -0.19 -0.76 -0.02 0.00 0.26 0.00 0.00 34.13 33.42 2kcp s GLU 36 CO -0.05 0.10 1.16 0.42 -0.54 0.00 0.00 175.26 176.35 2kcp s ILE 37 N 0.15 4.41 0.42 -3.70 1.01 -1.26 -0.09 121.20 122.14 2kcp s ILE 37 Ca -0.02 1.71 0.07 0.00 0.00 0.00 0.00 60.65 62.41 2kcp s ILE 37 Cb -0.07 -4.10 -0.07 0.00 0.01 0.00 0.00 42.46 38.23 2kcp s ILE 37 CO 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 174.94 174.97 2kcp s ALA 38 N 2.50 3.35 -0.20 9.38 0.00 0.54 -4.93 121.76 132.40 2kcp s ALA 38 Ca 0.53 -2.18 -0.07 0.00 0.00 0.00 0.00 51.96 50.24 2kcp s ALA 38 Cb -0.22 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2kcp s ALA 38 CO 0.18 -0.14 0.06 -1.21 0.00 0.00 0.00 175.76 174.65 2kcp s GLU 39 N -3.79 3.87 -0.15 0.00 2.02 -1.26 -1.11 118.70 118.28 2kcp s GLU 39 Ca 0.36 -0.39 -0.26 0.00 0.02 0.00 0.00 54.97 54.70 2kcp s GLU 39 Cb 0.08 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.07 2kcp s GLU 39 CO 0.19 0.15 0.85 0.42 0.02 0.00 0.00 175.26 176.89 2kcp s ILE 40 N 0.71 4.88 -0.13 -1.63 1.01 -0.91 -1.57 121.20 123.54 2kcp s ILE 40 Ca 0.03 1.68 -0.18 0.00 0.00 0.00 0.00 60.65 62.18 2kcp s ILE 40 Cb -0.13 -4.16 -0.16 0.00 0.01 0.00 0.00 42.46 38.02 2kcp s ILE 40 CO 0.02 0.04 0.43 0.03 0.00 0.00 0.00 174.94 175.46 2kcp h ARG 41 N 7.27 0.00 -3.69 2.79 3.08 -0.17 -3.46 114.38 120.19 2kcp h ARG 41 Ca -0.30 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.61 2kcp h ARG 41 Cb 1.14 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.00 2kcp h ARG 41 CO 0.83 0.62 -0.52 -0.80 -1.07 0.00 0.00 179.97 179.03 2kcp s ASN 42 N -6.02 0.12 -0.54 7.04 0.01 -0.93 -4.86 114.94 109.76 2kcp s ASN 42 Ca -0.13 -0.39 0.04 0.00 -0.71 0.00 0.00 52.86 51.67 2kcp s ASN 42 Cb -0.01 0.21 0.13 0.00 0.41 0.00 0.00 41.25 41.99 2kcp s ASN 42 CO 0.43 -0.44 0.29 -0.69 -1.51 0.00 0.00 177.10 175.18 2kcp s VAL 43 N -2.02 2.62 -0.22 1.60 1.01 -1.26 -0.48 120.40 121.65 2kcp s VAL 43 Ca -0.10 -3.44 -0.26 0.00 0.00 0.00 0.00 61.98 58.18 2kcp s VAL 43 Cb -0.05 -2.81 0.07 0.00 0.00 0.00 0.00 36.38 33.60 2kcp s VAL 43 CO -0.02 -0.82 0.72 0.54 0.00 0.00 0.00 175.10 175.52 2kcp s VAL 44 N -0.43 0.00 -0.11 2.92 0.11 -1.25 -4.58 120.40 117.06 2kcp s VAL 44 Ca 0.18 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.16 2kcp s VAL 44 Cb -0.23 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.66 2kcp s VAL 44 CO -0.02 0.00 0.27 -1.83 -3.33 0.00 0.00 175.10 170.19 2kcp s GLU 45 N 0.00 0.27 -0.80 1.54 -1.05 -1.26 -4.80 118.70 112.60 2kcp s GLU 45 Ca -0.03 0.50 0.00 0.00 -0.15 0.00 0.00 54.97 55.30 2kcp s GLU 45 Cb -0.04 -0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.64 2kcp s GLU 45 CO 0.03 -0.12 0.00 0.09 0.95 0.00 0.00 175.26 176.21 2kcp n ASN 46 N 3.75 -5.59 -1.99 0.83 3.02 -1.26 -4.96 115.26 109.06 2kcp n ASN 46 Ca -0.20 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2kcp n ASN 46 Cb 0.55 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.97 2kcp n ASN 46 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2kcp n THR 47 N -2.22 0.00 -0.05 3.41 -2.24 -1.26 -5.02 114.28 106.89 2kcp n THR 47 Ca -0.08 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.56 2kcp n THR 47 Cb 0.53 -1.60 -0.07 0.00 -2.10 0.00 0.00 70.33 67.09 2kcp n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kcp h ALA 48 N -1.02 0.26 -3.33 6.98 0.00 -2.01 -3.45 119.26 116.68 2kcp h ALA 48 Ca 0.00 -0.42 -0.59 0.00 0.00 0.00 0.00 54.91 53.91 2kcp h ALA 48 Cb 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 17.79 17.41 2kcp h ALA 48 CO 0.00 0.29 -0.84 -0.80 0.00 0.00 0.00 179.25 177.90 2kcp s ASN 49 N -6.44 2.38 -0.25 0.00 0.01 -1.26 -5.04 114.94 104.34 2kcp s ASN 49 Ca -0.13 -0.42 -0.06 0.00 -0.71 0.00 0.00 52.86 51.54 2kcp s ASN 49 Cb 0.06 -1.08 -0.20 0.00 0.41 0.00 0.00 41.25 40.43 2kcp s ASN 49 CO 0.80 0.06 3.07 -0.81 -1.51 0.00 0.00 177.10 178.71 2kcp n PRO 50 N 3.91 1.97 -1.99 -0.60 -0.04 -1.26 -4.72 135.00 132.26 2kcp n PRO 50 Ca -0.20 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 2kcp n PRO 50 Cb 0.52 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 2kcp n PRO 50 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2kcp n HIS 51 N 2.80 0.00 -1.89 0.54 8.25 -1.26 -4.96 115.22 118.70 2kcp n HIS 51 Ca 0.42 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.65 2kcp n HIS 51 Cb 0.68 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.72 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 -1.63 1.64 0.12 4.41 5.36 -1.26 -4.63 117.98 121.99 2kcp s PHE 52 Ca 0.00 1.13 0.05 0.00 -0.96 0.00 0.00 56.93 57.14 2kcp s PHE 52 Cb 0.00 -3.79 -0.04 0.00 -0.34 0.00 0.00 43.02 38.85 2kcp s PHE 52 CO 0.00 -1.29 0.07 0.54 -1.46 0.00 0.00 175.22 173.08 2kcp s VAL 53 N 12.60 4.33 0.88 3.12 0.11 -1.26 -5.09 120.40 135.09 2kcp s VAL 53 Ca 0.75 -0.99 -0.13 0.00 -2.93 0.00 0.00 61.98 58.68 2kcp s VAL 53 Cb -0.05 -3.13 0.04 0.00 -1.53 0.00 0.00 36.38 31.71 2kcp s VAL 53 CO 0.10 0.02 0.63 0.54 -3.33 0.00 0.00 175.10 173.05 2kcp n ARG 54 N 0.13 -0.12 -1.03 1.54 1.74 -1.26 -2.73 116.66 114.93 2kcp n ARG 54 Ca -0.09 0.02 -0.01 0.00 -0.77 0.00 0.00 57.85 57.00 2kcp n ARG 54 Cb 0.53 -2.00 -0.00 0.00 -1.02 0.00 0.00 32.46 29.97 2kcp n ARG 54 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2kcp n ARG 55 N -2.03 -0.32 -0.82 5.56 3.00 -1.26 -4.94 116.66 115.85 2kcp n ARG 55 Ca 0.09 0.23 -0.16 0.00 -0.00 0.00 0.00 57.85 58.01 2kcp n ARG 55 Cb 0.52 -3.60 -0.09 0.00 0.00 0.00 0.00 32.46 29.30 2kcp n ARG 55 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2kcp n ASN 56 N 0.27 4.85 -4.62 6.15 6.94 -1.11 -4.90 115.26 122.84 2kcp n ASN 56 Ca -0.01 -2.30 -0.42 0.00 -0.02 0.00 0.00 54.58 51.83 2kcp n ASN 56 Cb 0.09 -1.13 -0.03 0.00 -2.36 0.00 0.00 39.78 36.35 2kcp n ASN 56 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 2kcp s ILE 57 N 2.06 4.64 -0.66 1.53 -4.36 -1.26 -4.97 121.20 118.18 2kcp s ILE 57 Ca 0.50 1.42 -0.27 0.00 -0.26 0.00 0.00 60.65 62.04 2kcp s ILE 57 Cb 0.20 -4.30 0.00 0.00 1.25 0.00 0.00 42.46 39.61 2kcp s ILE 57 CO -0.02 -0.40 1.60 -0.63 0.24 0.00 0.00 174.94 175.73 2kcp s ILE 58 N 3.34 3.53 0.20 8.37 1.01 -1.26 -4.94 121.20 131.45 2kcp s ILE 58 Ca 0.39 0.32 -0.03 0.00 0.00 0.00 0.00 60.65 61.33 2kcp s ILE 58 Cb -0.13 -4.36 -0.03 0.00 0.01 0.00 0.00 42.46 37.95 2kcp s ILE 58 CO 0.15 -1.30 0.19 0.28 0.00 0.00 0.00 174.94 174.26 2kcp s THR 59 N 7.54 0.01 0.13 2.92 -1.32 -1.26 -4.72 115.64 118.93 2kcp s THR 59 Ca 0.54 -1.87 -0.31 0.00 -1.21 0.00 0.00 61.69 58.83 2kcp s THR 59 Cb -0.11 -2.39 -0.10 0.00 -1.51 0.00 0.00 72.50 68.40 2kcp s THR 59 CO 0.19 -0.05 1.76 -0.60 -2.21 0.00 0.00 174.62 173.71 2kcp s ARG 60 N -4.12 4.15 0.00 7.08 3.52 -1.26 -2.24 118.95 126.08 2kcp s ARG 60 Ca 0.34 2.53 0.00 0.00 -0.13 0.00 0.00 55.73 58.47 2kcp s ARG 60 Cb 0.06 -3.50 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 2kcp s ARG 60 CO 0.10 -0.79 0.00 0.41 -0.81 0.00 0.00 175.30 174.21 2kcp n GLY 61 N 4.12 2.48 3.76 8.12 0.00 0.12 -4.99 105.19 118.80 2kcp n GLY 61 Ca 0.17 0.00 -0.39 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 -2.40 3.30 -0.17 4.61 0.00 -0.95 -4.78 121.76 121.36 2kcp s ALA 62 Ca 0.00 0.57 -0.09 0.00 0.00 0.00 0.00 51.96 52.44 2kcp s ALA 62 Cb 0.00 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 2kcp s ALA 62 CO 0.00 0.20 0.12 0.14 0.00 0.00 0.00 175.76 176.22 2kcp s VAL 63 N -1.34 5.35 0.05 0.00 -7.23 -1.26 -0.90 120.40 115.06 2kcp s VAL 63 Ca 0.44 0.16 0.05 0.00 -1.81 0.00 0.00 61.98 60.82 2kcp s VAL 63 Cb -0.23 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 2kcp s VAL 63 CO 0.29 0.50 -0.08 0.68 -0.31 0.00 0.00 175.10 176.17 2kcp s VAL 64 N -0.07 3.50 -0.39 1.32 -7.23 0.26 -3.76 120.40 114.03 2kcp s VAL 64 Ca 0.10 -1.00 -0.22 0.00 -1.81 0.00 0.00 61.98 59.05 2kcp s VAL 64 Cb -0.11 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.27 2kcp s VAL 64 CO 0.00 0.27 0.70 -0.70 -0.31 0.00 0.00 175.10 175.06 2kcp s GLU 65 N -1.77 3.55 0.48 4.82 2.12 0.37 -1.31 118.70 126.95 2kcp s GLU 65 Ca 0.19 -0.02 0.05 0.00 0.36 0.00 0.00 54.97 55.55 2kcp s GLU 65 Cb -0.11 -3.87 -0.02 0.00 0.26 0.00 0.00 34.13 30.40 2kcp s GLU 65 CO 0.10 -0.90 0.18 0.95 -0.54 0.00 0.00 175.26 175.05 2kcp s THR 66 N 2.94 1.77 0.42 -1.70 -4.23 0.55 0.59 115.64 115.96 2kcp s THR 66 Ca 0.27 -1.75 0.11 0.00 -1.18 0.00 0.00 61.69 59.13 2kcp s THR 66 Cb -0.14 -2.52 0.20 0.00 1.34 0.00 0.00 72.50 71.38 2kcp s THR 66 CO 0.18 0.00 1.98 -0.55 -0.54 0.00 0.00 174.62 175.69 2kcp h ASN 67 N 1.24 0.20 1.66 3.99 -1.07 -1.59 -1.95 115.58 118.05 2kcp h ASN 67 Ca -0.42 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 55.93 2kcp h ASN 67 Cb 1.28 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 37.48 2kcp h ASN 67 CO 0.68 0.29 -0.25 -0.07 0.07 0.00 0.00 177.43 178.16 2kcp h LEU 68 N 0.21 0.00 0.00 6.14 3.38 -1.85 -2.26 115.31 120.94 2kcp h LEU 68 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kcp h LEU 68 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2kcp h LEU 68 CO 0.01 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2kcp n GLY 69 N 1.16 0.56 3.64 0.83 0.00 -0.74 -4.88 105.19 105.77 2kcp n GLY 69 Ca 0.03 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2kcp n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kcp s ASN 70 N -4.00 6.89 -0.13 1.61 0.02 -1.25 -0.33 114.94 117.74 2kcp s ASN 70 Ca 0.00 1.07 0.01 0.00 -1.02 0.00 0.00 52.86 52.93 2kcp s ASN 70 Cb 0.00 -2.47 0.02 0.00 0.02 0.00 0.00 41.25 38.82 2kcp s ASN 70 CO 0.00 -0.60 -0.16 -0.69 0.02 0.00 0.00 177.10 175.66 2kcp s VAL 71 N 3.03 1.66 -0.33 1.60 1.01 -0.43 -0.68 120.40 126.26 2kcp s VAL 71 Ca 0.38 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 2kcp s VAL 71 Cb -0.15 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 2kcp s VAL 71 CO 0.08 0.47 0.60 -0.60 0.00 0.00 0.00 175.10 175.66 2kcp s ARG 72 N 1.17 3.78 0.25 2.72 3.52 0.04 -0.58 118.95 129.85 2kcp s ARG 72 Ca -0.01 0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 55.41 2kcp s ARG 72 Cb -0.14 -3.77 -0.11 0.00 -1.56 0.00 0.00 34.95 29.37 2kcp s ARG 72 CO -0.06 -0.63 1.55 0.08 -0.81 0.00 0.00 175.30 175.43 2kcp s VAL 73 N 2.59 2.33 0.03 7.11 1.01 -0.08 -0.67 120.40 132.72 2kcp s VAL 73 Ca 0.23 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.48 2kcp s VAL 73 Cb -0.15 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.06 2kcp s VAL 73 CO 0.13 0.04 -0.01 0.35 0.00 0.00 0.00 175.10 175.61 2kcp n THR 74 N 2.61 0.39 -1.95 3.92 -2.24 0.10 -0.71 114.28 116.41 2kcp n THR 74 Ca 0.09 0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.60 2kcp n THR 74 Cb 0.38 -1.22 -0.02 0.00 -2.10 0.00 0.00 70.33 67.37 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 -5.26 6.59 0.04 3.42 0.01 -1.24 -4.57 113.70 112.69 2kcp s SER 75 Ca -0.01 2.70 -0.30 0.00 1.31 0.00 0.00 55.95 59.65 2kcp s SER 75 Cb 0.00 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.52 2kcp s SER 75 CO 0.01 -0.78 1.96 0.54 0.41 0.00 0.00 173.24 175.38 2kcp n ARG 76 N 2.83 2.85 -1.63 12.44 1.74 -1.26 -4.21 116.66 129.42 2kcp n ARG 76 Ca 0.09 1.04 -0.26 0.00 -0.77 0.00 0.00 57.85 57.96 2kcp n ARG 76 Cb 0.39 -2.99 -0.05 0.00 -1.02 0.00 0.00 32.46 28.79 2kcp n ARG 76 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2kcp s PRO 77 N 4.25 1.94 0.00 5.56 0.02 -1.26 -3.31 135.00 142.20 2kcp s PRO 77 Ca 0.88 0.83 0.00 0.00 0.02 0.00 0.00 61.00 62.73 2kcp s PRO 77 Cb -0.45 -4.69 0.00 0.00 0.02 0.00 0.00 34.50 29.38 2kcp s PRO 77 CO 0.42 -3.77 0.00 0.41 -0.33 0.00 0.00 177.00 173.73 2kcp n GLY 78 N 6.40 1.60 0.34 0.52 0.00 -1.26 -4.99 105.19 107.81 2kcp n GLY 78 Ca 0.40 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 2kcp n GLY 78 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kcp h GLN 79 N 0.00 -0.51 0.00 1.61 4.20 -1.92 -0.58 115.11 117.91 2kcp h GLN 79 Ca 0.00 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 2kcp h GLN 79 Cb 0.00 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2kcp h GLN 79 CO 0.00 -0.34 -0.18 0.22 -0.67 0.00 0.00 178.83 177.86 2kcp h ASP 80 N -0.52 0.00 0.00 1.46 3.58 -1.95 -3.47 116.42 115.52 2kcp h ASP 80 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2kcp h ASP 80 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2kcp h ASP 80 CO -0.22 0.18 0.00 0.61 -2.88 0.00 0.00 179.24 176.93 2kcp n GLY 81 N -0.54 2.93 3.19 -0.78 0.00 -0.23 -5.04 105.19 104.72 2kcp n GLY 81 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.77 0.75 -0.16 1.61 0.11 -1.26 -4.46 120.40 114.22 2kcp s VAL 82 Ca 0.00 -1.96 -0.18 0.00 -2.93 0.00 0.00 61.98 56.91 2kcp s VAL 82 Cb 0.00 -1.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.02 2kcp s VAL 82 CO 0.00 -0.77 0.50 -0.63 -3.33 0.00 0.00 175.10 170.87 2kcp s ILE 83 N -3.59 5.15 0.24 7.04 1.01 -1.26 -4.51 121.20 125.27 2kcp s ILE 83 Ca 0.15 0.95 0.11 0.00 0.00 0.00 0.00 60.65 61.87 2kcp s ILE 83 Cb 0.05 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 2kcp s ILE 83 CO -0.02 0.25 -0.20 0.20 0.00 0.00 0.00 174.94 175.17 2kcp s ASN 84 N 0.90 3.62 0.30 3.58 -0.87 -1.26 -0.30 114.94 120.90 2kcp s ASN 84 Ca 0.25 -0.92 -0.19 0.00 -1.57 0.00 0.00 52.86 50.43 2kcp s ASN 84 Cb -0.15 -0.34 0.06 0.00 -0.02 0.00 0.00 41.25 40.80 2kcp s ASN 84 CO 0.10 0.07 0.89 -0.83 -2.57 0.00 0.00 177.10 174.76 2kcp s GLY 85 N -3.15 0.22 -0.07 0.66 0.00 -0.23 -0.72 107.32 104.03 2kcp s GLY 85 Ca 0.26 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.46 2kcp s GLY 85 CO 0.13 0.71 -0.08 0.14 0.00 0.00 0.00 173.10 174.00 2kcp s VAL 86 N -2.39 3.59 -0.34 1.40 1.01 0.16 -0.02 120.40 123.81 2kcp s VAL 86 Ca 0.17 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 2kcp s VAL 86 Cb -0.04 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.89 2kcp s VAL 86 CO 0.09 0.59 1.04 -0.22 0.00 0.00 0.00 175.10 176.59 2kcp s LEU 87 N -0.68 3.93 0.00 3.92 2.96 -0.23 -0.78 118.68 127.79 2kcp s LEU 87 Ca 0.10 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 2kcp s LEU 87 Cb -0.11 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 43.11 2kcp s LEU 87 CO 0.02 -0.89 0.00 2.30 -1.32 0.00 0.00 176.35 176.46 2kcp n ILE 88 N 5.94 0.00 -3.96 6.68 -5.35 0.14 -4.43 119.36 118.39 2kcp n ILE 88 Ca 0.11 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.28 2kcp n ILE 88 Cb 0.47 0.00 -0.15 0.00 -1.74 0.00 0.00 39.64 38.22 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 -1.09 1.35 0.06 6.28 1.81 -1.26 -3.88 118.95 122.23 2kcp s ARG 89 Ca 0.00 -1.65 0.00 0.00 -1.72 0.00 0.00 55.73 52.36 2kcp s ARG 89 Cb 0.00 -2.91 0.00 0.00 -0.45 0.00 0.00 34.95 31.59 2kcp s ARG 89 CO 0.00 -0.92 0.00 0.39 -0.68 0.00 0.00 175.30 174.09 2kcp n GLU 90 N 4.40 0.00 0.00 3.54 -0.58 -1.26 -5.11 120.64 121.64 2kcp n GLU 90 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2kcp n GLU 90 Cb 0.42 -0.29 0.00 0.00 -0.57 0.00 0.00 31.44 31.00 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 -3.10 0.00 -4.35 -4.62 4.77 -1.26 -5.08 117.00 103.36 2kcp n LEU 91 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 2kcp n LEU 91 Cb 0.00 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 2kcp n LEU 91 CO 0.00 0.00 -0.21 1.21 -1.33 0.00 0.00 177.39 177.06 2kcp n GLU 92 N 0.00 -1.65 -1.14 3.23 0.00 -1.26 -4.91 120.64 114.91 2kcp n GLU 92 Ca 0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 57.16 56.47 2kcp n GLU 92 Cb 0.00 -1.85 0.15 0.00 0.00 0.00 0.00 31.44 29.74 2kcp n GLU 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2kcp n HIS 93 N -4.47 2.82 -2.05 4.31 8.25 -1.26 -4.83 115.22 117.99 2kcp n HIS 93 Ca 0.02 -1.90 -0.27 0.00 -0.26 0.00 0.00 57.72 55.32 2kcp n HIS 93 Cb 0.59 -0.96 -0.05 0.00 1.12 0.00 0.00 29.99 30.69 2kcp n HIS 93 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kcp s HIS 94 N -3.07 1.81 -0.08 4.41 3.76 -1.26 -4.93 115.29 115.92 2kcp s HIS 94 Ca 0.53 0.64 0.04 0.00 -0.15 0.00 0.00 55.06 56.12 2kcp s HIS 94 Cb 0.44 -4.04 -0.01 0.00 1.11 0.00 0.00 32.58 30.08 2kcp s HIS 94 CO 0.08 -1.74 -0.21 -1.01 -0.85 0.00 0.00 174.74 171.01 2kcp s HIS 95 N 10.10 2.57 -0.30 1.40 3.76 -1.26 -4.42 115.29 127.15 2kcp s HIS 95 Ca 0.70 -0.73 -0.17 0.00 -0.15 0.00 0.00 55.06 54.71 2kcp s HIS 95 Cb -0.07 -1.68 0.19 0.00 1.11 0.00 0.00 32.58 32.13 2kcp s HIS 95 CO -0.01 -0.22 1.17 -3.38 -0.85 0.00 0.00 174.74 171.44 2kcp s HIS 96 N 0.00 -0.27 -0.51 1.40 -3.43 -0.85 -5.03 115.29 106.61 2kcp s HIS 96 Ca -0.07 0.51 0.24 0.00 -0.80 0.00 0.00 55.06 54.93 2kcp s HIS 96 Cb -0.15 0.16 0.42 0.00 -1.43 0.00 0.00 32.58 31.58 2kcp s HIS 96 CO 0.05 -0.13 1.54 1.25 -2.00 0.00 0.00 174.74 175.45 2kcp h HIS 97 N 6.18 0.00 0.00 0.38 2.76 -1.99 -3.42 115.15 119.05 2kcp h HIS 97 Ca -0.22 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.95 2kcp h HIS 97 Cb 1.15 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.11 2kcp h HIS 97 CO 0.18 0.00 0.00 1.58 -1.30 0.00 0.00 177.93 178.39