#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 3.69 -4.47 1.61 8.00 -1.26 -4.88 116.55 119.24 2kcp n ASP 2 Ca 0.00 -3.25 -0.43 0.00 0.71 0.00 0.00 54.79 51.82 2kcp n ASP 2 Cb 0.00 -0.76 -0.03 0.00 -0.02 0.00 0.00 41.12 40.31 2kcp n ASP 2 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2kcp s ARG 3 N -2.63 3.52 -0.61 -1.24 1.81 -1.26 -4.98 118.95 113.58 2kcp s ARG 3 Ca 0.46 -1.51 -0.22 0.00 -1.72 0.00 0.00 55.73 52.73 2kcp s ARG 3 Cb 0.38 -4.88 0.07 0.00 -0.45 0.00 0.00 34.95 30.07 2kcp s ARG 3 CO 0.09 -1.85 0.88 -0.98 -0.68 0.00 0.00 175.30 172.76 2kcp s ARG 4 N 3.27 3.15 0.00 3.54 3.03 -1.26 -4.91 118.95 125.77 2kcp s ARG 4 Ca 0.33 -0.78 0.20 0.00 2.03 0.00 0.00 55.73 57.51 2kcp s ARG 4 Cb -0.06 -4.18 0.53 0.00 -1.03 0.00 0.00 34.95 30.21 2kcp s ARG 4 CO -0.07 -1.63 1.44 1.33 -1.13 0.00 0.00 175.30 175.25 2kcp n VAL 5 N 5.89 0.63 -2.51 4.99 0.24 -1.26 -4.80 118.33 121.51 2kcp n VAL 5 Ca -0.04 -0.72 -0.41 0.00 -2.04 0.00 0.00 64.34 61.14 2kcp n VAL 5 Cb 0.45 0.55 -0.01 0.00 -1.47 0.00 0.00 33.84 33.36 2kcp n VAL 5 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2kcp s ARG 6 N -1.37 3.73 -0.08 7.34 0.52 -1.26 -4.61 118.95 123.22 2kcp s ARG 6 Ca 0.38 -1.70 0.16 0.00 -0.52 0.00 0.00 55.73 54.05 2kcp s ARG 6 Cb 0.21 -5.46 -0.23 0.00 0.52 0.00 0.00 34.95 29.99 2kcp s ARG 6 CO 0.28 -2.45 0.46 -0.11 0.02 0.00 0.00 175.30 173.50 2kcp n LEU 7 N 9.23 0.46 -4.83 2.53 7.94 -1.26 -4.97 117.00 126.10 2kcp n LEU 7 Ca 0.45 0.21 -0.32 0.00 -1.11 0.00 0.00 56.01 55.25 2kcp n LEU 7 Cb 0.47 0.26 0.02 0.00 0.53 0.00 0.00 43.42 44.70 2kcp n LEU 7 CO 0.73 0.34 0.71 -0.51 -1.11 0.00 0.00 177.39 177.55 2kcp s ILE 8 N -2.71 4.17 0.16 1.96 1.10 -1.26 -5.09 121.20 119.53 2kcp s ILE 8 Ca -0.07 0.83 0.00 0.00 -0.51 0.00 0.00 60.65 60.91 2kcp s ILE 8 Cb 0.08 -3.53 -0.04 0.00 0.15 0.00 0.00 42.46 39.12 2kcp s ILE 8 CO 0.83 -0.80 0.05 0.00 -2.11 0.00 0.00 174.94 172.92 2kcp s ARG 9 N -4.67 1.06 0.45 3.50 3.03 -1.26 -5.18 118.95 115.88 2kcp s ARG 9 Ca 0.59 -1.52 0.03 0.00 2.03 0.00 0.00 55.73 56.85 2kcp s ARG 9 Cb -0.13 0.04 -0.02 0.00 -1.03 0.00 0.00 34.95 33.80 2kcp s ARG 9 CO 0.47 -0.24 0.07 -0.08 -1.13 0.00 0.00 175.30 174.38 2kcp s THR 10 N -3.91 0.94 -0.20 4.99 -1.32 -1.26 -5.17 115.64 109.71 2kcp s THR 10 Ca 0.27 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.47 2kcp s THR 10 Cb 0.07 -2.32 0.13 0.00 -1.51 0.00 0.00 72.50 68.87 2kcp s THR 10 CO 0.05 0.00 1.03 -0.60 -2.21 0.00 0.00 174.62 172.89 2kcp s ARG 11 N -3.79 0.54 0.00 7.08 3.52 -1.26 -5.19 118.95 119.85 2kcp s ARG 11 Ca 0.17 0.25 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 2kcp s ARG 11 Cb 0.03 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.68 2kcp s ARG 11 CO 0.10 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 2kcp n GLY 12 N 1.12 2.32 0.11 8.12 0.00 -1.26 -5.03 105.19 110.57 2kcp n GLY 12 Ca -0.11 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.47 -0.75 3.10 -0.02 0.00 -1.26 -4.98 105.19 100.82 2kcp n GLY 13 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -6.37 0.88 0.00 1.61 3.84 -1.26 -5.01 114.94 108.63 2kcp s ASN 14 Ca -0.17 -0.80 0.00 0.00 0.21 0.00 0.00 52.86 52.11 2kcp s ASN 14 Cb 0.07 0.09 0.00 0.00 -0.55 0.00 0.00 41.25 40.86 2kcp s ASN 14 CO 0.77 -0.37 0.29 0.41 -2.79 0.00 0.00 177.10 175.40 2kcp n THR 15 N 0.66 0.08 -2.83 -5.21 -1.04 -1.26 -5.02 114.28 99.67 2kcp n THR 15 Ca -0.17 -0.20 0.02 0.00 -2.04 0.00 0.00 64.05 61.66 2kcp n THR 15 Cb 0.58 1.47 0.00 0.00 -1.82 0.00 0.00 70.33 70.56 2kcp n THR 15 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kcp s LYS 16 N -0.08 0.16 0.24 -2.82 2.20 -1.26 -5.18 119.74 113.00 2kcp s LYS 16 Ca 0.00 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 2kcp s LYS 16 Cb 0.00 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 2kcp s LYS 16 CO 0.00 -0.24 0.00 1.55 -0.36 0.00 0.00 175.35 176.30 2kcp n VAL 17 N 3.92 -0.10 -1.62 4.02 3.14 -1.26 -4.95 118.33 121.49 2kcp n VAL 17 Ca 0.06 0.27 -0.05 0.00 -2.96 0.00 0.00 64.34 61.66 2kcp n VAL 17 Cb 0.62 -0.49 0.03 0.00 -1.06 0.00 0.00 33.84 32.95 2kcp n VAL 17 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2kcp n ARG 18 N -3.17 0.02 -2.33 1.45 -4.01 -1.26 -4.99 116.66 102.36 2kcp n ARG 18 Ca -0.02 -0.46 -0.43 0.00 -1.04 0.00 0.00 57.85 55.90 2kcp n ARG 18 Cb 0.53 -0.22 -0.02 0.00 -3.04 0.00 0.00 32.46 29.70 2kcp n ARG 18 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 2kcp s LEU 19 N 0.00 3.55 0.00 2.89 0.20 0.97 -4.70 118.68 121.60 2kcp s LEU 19 Ca 0.14 0.76 0.00 0.00 0.69 0.00 0.00 54.13 55.72 2kcp s LEU 19 Cb -0.01 -3.45 0.00 0.00 -0.43 0.00 0.00 46.19 42.30 2kcp s LEU 19 CO 0.10 -1.51 0.00 0.00 -0.29 0.00 0.00 176.35 174.65 2kcp n ALA 20 N 9.09 2.66 -0.02 5.97 0.00 -1.26 -4.80 120.51 132.15 2kcp n ALA 20 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.55 2kcp n ALA 20 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.00 0.69 -4.36 0.00 2.88 -1.26 -4.76 113.62 104.81 2kcp n SER 21 Ca 0.00 0.32 -0.45 0.00 -1.33 0.00 0.00 58.87 57.41 2kcp n SER 21 Cb 0.00 0.27 -0.04 0.00 -0.75 0.00 0.00 64.21 63.68 2kcp n SER 21 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2kcp s ASP 22 N -5.82 6.23 -0.27 -3.46 1.11 -1.26 -5.03 116.67 108.17 2kcp s ASP 22 Ca -0.05 -1.59 -0.29 0.00 0.18 0.00 0.00 52.55 50.80 2kcp s ASP 22 Cb 0.08 -2.28 -0.02 0.00 1.07 0.00 0.00 42.92 41.77 2kcp s ASP 22 CO 0.82 -1.04 1.69 -0.89 1.18 0.00 0.00 175.17 176.93 2kcp s THR 23 N 2.35 3.60 0.12 -1.27 2.01 -1.26 -4.49 115.64 116.71 2kcp s THR 23 Ca 0.11 0.65 -0.07 0.00 0.31 0.00 0.00 61.69 62.69 2kcp s THR 23 Cb -0.24 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 2kcp s THR 23 CO 0.04 -0.36 0.18 -0.13 -0.69 0.00 0.00 174.62 173.66 2kcp s ARG 24 N 5.09 0.96 -0.11 4.92 0.52 -1.26 -2.81 118.95 126.26 2kcp s ARG 24 Ca 0.75 -1.17 -0.08 0.00 -0.52 0.00 0.00 55.73 54.71 2kcp s ARG 24 Cb -0.24 0.32 0.04 0.00 0.52 0.00 0.00 34.95 35.59 2kcp s ARG 24 CO 0.32 -0.31 0.29 -1.50 0.02 0.00 0.00 175.30 174.11 2kcp s ILE 25 N -3.95 -0.01 -0.58 1.52 2.07 0.79 -4.39 121.20 116.64 2kcp s ILE 25 Ca 0.14 0.05 -0.27 0.00 -1.41 0.00 0.00 60.65 59.16 2kcp s ILE 25 Cb 0.05 -0.42 0.01 0.00 0.13 0.00 0.00 42.46 42.23 2kcp s ILE 25 CO -0.04 0.02 1.52 0.20 -1.91 0.00 0.00 174.94 174.73 2kcp s ASN 26 N 0.62 5.92 0.10 4.50 0.01 0.11 -0.78 114.94 125.42 2kcp s ASN 26 Ca -0.04 0.25 -0.10 0.00 -0.71 0.00 0.00 52.86 52.27 2kcp s ASN 26 Cb -0.05 -2.54 -0.06 0.00 0.41 0.00 0.00 41.25 39.01 2kcp s ASN 26 CO -0.04 -1.88 0.42 -0.69 -1.51 0.00 0.00 177.10 173.40 2kcp s VAL 27 N 6.76 5.08 -0.31 1.60 1.01 0.18 -0.64 120.40 134.08 2kcp s VAL 27 Ca 0.55 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.97 2kcp s VAL 27 Cb -0.11 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.69 2kcp s VAL 27 CO 0.23 0.24 -0.00 -0.69 0.00 0.00 0.00 175.10 174.88 2kcp s VAL 28 N -1.45 2.64 -0.28 2.92 1.01 0.16 -0.46 120.40 124.94 2kcp s VAL 28 Ca 0.35 -1.73 -0.29 0.00 0.00 0.00 0.00 61.98 60.31 2kcp s VAL 28 Cb -0.14 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 2kcp s VAL 28 CO 0.19 -0.25 1.63 -0.62 0.00 0.00 0.00 175.10 176.06 2kcp s ASP 29 N 1.21 6.24 0.18 3.32 -1.08 0.80 -0.88 116.67 126.46 2kcp s ASP 29 Ca -0.02 1.42 0.26 0.00 -0.52 0.00 0.00 52.55 53.69 2kcp s ASP 29 Cb -0.20 -2.53 0.81 0.00 -1.46 0.00 0.00 42.92 39.54 2kcp s ASP 29 CO -0.04 -1.41 1.75 -0.81 0.52 0.00 0.00 175.17 175.19 2kcp n PRO 30 N 7.93 0.23 0.04 4.34 -0.04 -1.26 0.26 135.00 146.50 2kcp n PRO 30 Ca 0.20 0.18 -0.15 0.00 -0.04 0.00 0.00 63.50 63.69 2kcp n PRO 30 Cb 0.46 -1.76 -0.04 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.00 0.56 0.00 0.54 4.39 -1.90 -3.37 114.58 114.80 2kcp h GLU 31 Ca 0.00 -0.52 -0.19 0.00 0.34 0.00 0.00 59.36 58.99 2kcp h GLU 31 Cb 0.71 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 2kcp h GLU 31 CO 0.00 1.15 -1.70 0.25 -1.16 0.00 0.00 179.01 177.55 2kcp n THR 32 N -3.83 0.70 -1.03 1.13 -2.24 -1.24 -5.05 114.28 102.71 2kcp n THR 32 Ca -0.07 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2kcp n THR 32 Cb 0.79 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 2.50 0.72 3.55 3.38 0.00 0.14 -5.10 105.19 110.38 2kcp n GLY 33 Ca -0.18 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.79 1.88 -0.23 1.61 -2.85 -0.99 -4.95 119.74 112.43 2kcp s LYS 34 Ca 0.00 -1.79 0.02 0.00 -1.00 0.00 0.00 55.97 53.20 2kcp s LYS 34 Cb 0.00 -1.82 0.04 0.00 -2.06 0.00 0.00 37.83 33.99 2kcp s LYS 34 CO 0.00 0.22 -0.14 0.08 0.10 0.00 0.00 175.35 175.61 2kcp s VAL 35 N -2.53 2.07 0.41 1.79 1.01 -1.26 -0.14 120.40 121.75 2kcp s VAL 35 Ca 0.32 -1.33 0.07 0.00 0.00 0.00 0.00 61.98 61.04 2kcp s VAL 35 Cb -0.01 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 2kcp s VAL 35 CO 0.17 0.18 0.09 -1.83 0.00 0.00 0.00 175.10 173.71 2kcp s GLU 36 N 1.20 2.08 -0.28 2.72 1.03 0.39 -4.95 118.70 120.89 2kcp s GLU 36 Ca -0.03 -2.00 -0.07 0.00 0.03 0.00 0.00 54.97 52.90 2kcp s GLU 36 Cb -0.17 -1.79 -0.00 0.00 -0.80 0.00 0.00 34.13 31.36 2kcp s GLU 36 CO -0.08 -0.09 0.08 0.42 -1.33 0.00 0.00 175.26 174.26 2kcp s ILE 37 N -2.66 4.10 0.23 1.83 1.01 -1.26 0.47 121.20 124.92 2kcp s ILE 37 Ca 0.37 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.60 2kcp s ILE 37 Cb 0.07 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2kcp s ILE 37 CO 0.20 0.17 0.02 0.00 0.00 0.00 0.00 174.94 175.32 2kcp s ALA 38 N 1.54 3.21 -0.23 9.38 0.00 0.04 -4.93 121.76 130.78 2kcp s ALA 38 Ca 0.04 -1.51 -0.13 0.00 0.00 0.00 0.00 51.96 50.36 2kcp s ALA 38 Cb -0.16 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 2kcp s ALA 38 CO 0.03 0.35 0.28 -1.21 0.00 0.00 0.00 175.76 175.21 2kcp s GLU 39 N -3.38 4.09 -0.32 0.00 2.02 -1.26 -0.15 118.70 119.71 2kcp s GLU 39 Ca 0.30 -0.06 -0.29 0.00 0.02 0.00 0.00 54.97 54.94 2kcp s GLU 39 Cb -0.08 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.59 2kcp s GLU 39 CO 0.20 -0.04 1.34 0.42 0.02 0.00 0.00 175.26 177.20 2kcp s ILE 40 N 1.33 4.07 -0.07 -1.63 1.01 -1.12 -1.33 121.20 123.46 2kcp s ILE 40 Ca 0.13 1.19 -0.19 0.00 0.00 0.00 0.00 60.65 61.78 2kcp s ILE 40 Cb -0.14 -4.14 -0.29 0.00 0.01 0.00 0.00 42.46 37.89 2kcp s ILE 40 CO 0.07 -0.52 0.73 0.03 0.00 0.00 0.00 174.94 175.25 2kcp h ARG 41 N 9.63 0.28 -4.04 2.79 2.47 -0.19 -3.47 114.38 121.84 2kcp h ARG 41 Ca -0.27 -0.47 -0.22 0.00 -1.26 0.00 0.00 59.98 57.76 2kcp h ARG 41 Cb 1.10 0.18 -0.24 0.00 -1.65 0.00 0.00 29.97 29.36 2kcp h ARG 41 CO 1.04 1.23 -0.72 -0.80 0.56 0.00 0.00 179.97 181.28 2kcp s ASN 42 N -7.02 0.32 -0.16 7.04 0.01 -0.08 -5.00 114.94 110.05 2kcp s ASN 42 Ca -0.17 -0.32 0.16 0.00 -0.71 0.00 0.00 52.86 51.82 2kcp s ASN 42 Cb 0.03 0.04 0.56 0.00 0.41 0.00 0.00 41.25 42.28 2kcp s ASN 42 CO 0.80 -0.16 1.46 1.33 -1.51 0.00 0.00 177.10 179.02 2kcp n VAL 43 N 2.14 2.13 -3.14 1.60 0.24 -1.26 -0.29 118.33 119.75 2kcp n VAL 43 Ca -0.19 -1.63 -0.43 0.00 -2.04 0.00 0.00 64.34 60.05 2kcp n VAL 43 Cb 0.57 -0.12 -0.07 0.00 -1.47 0.00 0.00 33.84 32.75 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 -2.47 4.86 -0.33 3.34 0.11 -1.26 -4.86 120.40 119.79 2kcp s VAL 44 Ca 0.42 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.47 2kcp s VAL 44 Cb 0.32 -4.20 0.24 0.00 -1.53 0.00 0.00 36.38 31.21 2kcp s VAL 44 CO 0.12 -0.60 1.19 -1.84 -3.33 0.00 0.00 175.10 170.64 2kcp n GLU 45 N 6.17 1.68 -2.97 1.54 0.28 -1.23 -4.76 120.64 121.35 2kcp n GLU 45 Ca -0.03 -1.01 -0.02 0.00 -0.16 0.00 0.00 57.16 55.94 2kcp n GLU 45 Cb 0.47 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.85 2kcp n GLU 45 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2kcp n ASN 46 N 0.03 -7.70 0.00 -1.84 5.15 -1.26 -4.91 115.26 104.73 2kcp n ASN 46 Ca 0.17 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 2kcp n ASN 46 Cb 0.80 -5.23 0.00 0.00 -0.53 0.00 0.00 39.78 34.81 2kcp n ASN 46 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2kcp n THR 47 N -1.39 0.00 -0.04 -0.44 -2.24 -1.26 -5.02 114.28 103.89 2kcp n THR 47 Ca 0.03 0.35 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 2kcp n THR 47 Cb 0.49 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 2kcp n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kcp n ALA 48 N -1.86 0.00 -1.77 6.98 0.00 -1.26 -5.05 120.51 117.55 2kcp n ALA 48 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2kcp n ALA 48 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kcp n ALA 48 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kcp s ASN 49 N -1.00 5.99 0.55 0.00 -0.87 -1.26 -4.92 114.94 113.42 2kcp s ASN 49 Ca 0.00 2.31 0.29 0.00 -1.57 0.00 0.00 52.86 53.89 2kcp s ASN 49 Cb 0.00 -2.60 1.46 0.00 -0.02 0.00 0.00 41.25 40.09 2kcp s ASN 49 CO 0.00 -1.04 1.92 1.55 -2.57 0.00 0.00 177.10 176.96 2kcp h PRO 50 N 1.79 0.00 -0.63 -0.60 0.13 -1.97 0.01 132.00 130.72 2kcp h PRO 50 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kcp h PRO 50 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kcp h PRO 50 CO 0.59 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.08 2kcp n HIS 51 N -4.17 0.84 -1.69 1.56 8.25 -1.26 -4.43 115.22 114.32 2kcp n HIS 51 Ca 0.14 -0.47 -0.34 0.00 -0.26 0.00 0.00 57.72 56.79 2kcp n HIS 51 Cb 0.80 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.96 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 1.43 3.11 -2.82 4.41 3.01 -0.01 -4.95 117.46 121.64 2kcp n PHE 52 Ca 0.22 -2.73 -0.43 0.00 1.01 0.00 0.00 57.45 55.52 2kcp n PHE 52 Cb 0.58 -1.09 -0.03 0.00 -0.01 0.00 0.00 39.48 38.93 2kcp n PHE 52 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2kcp s VAL 53 N -4.91 4.32 -0.20 -4.37 0.11 -1.26 -4.82 120.40 109.26 2kcp s VAL 53 Ca 0.58 -0.58 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 2kcp s VAL 53 Cb 0.47 -4.76 -0.20 0.00 -1.53 0.00 0.00 36.38 30.35 2kcp s VAL 53 CO -0.12 -1.55 0.03 0.54 -3.33 0.00 0.00 175.10 170.67 2kcp n ARG 54 N 7.73 0.67 -2.08 1.54 5.12 -1.26 -4.93 116.66 123.45 2kcp n ARG 54 Ca 0.06 0.26 -0.42 0.00 -1.93 0.00 0.00 57.85 55.82 2kcp n ARG 54 Cb 0.47 -1.62 -0.03 0.00 -1.16 0.00 0.00 32.46 30.13 2kcp n ARG 54 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2kcp s ARG 55 N -2.51 4.27 -0.10 5.56 1.70 -1.26 -4.89 118.95 121.71 2kcp s ARG 55 Ca -0.30 2.17 0.16 0.00 -0.47 0.00 0.00 55.73 57.29 2kcp s ARG 55 Cb 0.09 -3.36 0.56 0.00 -0.57 0.00 0.00 34.95 31.67 2kcp s ARG 55 CO 0.65 -0.56 1.48 0.27 -1.08 0.00 0.00 175.30 176.05 2kcp n ASN 56 N 4.54 4.05 -4.51 -2.89 0.23 -1.26 -4.92 115.26 110.51 2kcp n ASN 56 Ca 0.13 -2.49 -0.42 0.00 -0.53 0.00 0.00 54.58 51.28 2kcp n ASN 56 Cb 0.41 -0.48 -0.03 0.00 -2.08 0.00 0.00 39.78 37.60 2kcp n ASN 56 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2kcp s ILE 57 N -1.89 4.03 -0.55 1.53 1.09 -1.26 -4.99 121.20 119.16 2kcp s ILE 57 Ca 0.41 -0.14 -0.28 0.00 -1.10 0.00 0.00 60.65 59.54 2kcp s ILE 57 Cb 0.28 -4.84 0.03 0.00 -1.06 0.00 0.00 42.46 36.87 2kcp s ILE 57 CO 0.18 -1.70 1.17 -0.63 -0.10 0.00 0.00 174.94 173.85 2kcp s ILE 58 N 4.84 4.09 0.27 2.92 1.01 -1.26 -5.03 121.20 128.04 2kcp s ILE 58 Ca 0.31 0.98 -0.02 0.00 0.00 0.00 0.00 60.65 61.93 2kcp s ILE 58 Cb -0.10 -4.68 -0.04 0.00 0.01 0.00 0.00 42.46 37.64 2kcp s ILE 58 CO 0.09 -1.23 0.49 0.28 0.00 0.00 0.00 174.94 174.57 2kcp s THR 59 N 4.76 5.11 -0.11 2.92 -1.32 -1.26 -4.54 115.64 121.20 2kcp s THR 59 Ca 0.44 -0.23 -0.29 0.00 -1.21 0.00 0.00 61.69 60.39 2kcp s THR 59 Cb -0.07 -3.77 -0.06 0.00 -1.51 0.00 0.00 72.50 67.09 2kcp s THR 59 CO 0.27 -0.33 1.86 -0.60 -2.21 0.00 0.00 174.62 173.61 2kcp s ARG 60 N -3.66 3.83 0.00 7.08 3.52 -1.26 -1.56 118.95 126.89 2kcp s ARG 60 Ca 0.41 2.12 0.00 0.00 -0.13 0.00 0.00 55.73 58.13 2kcp s ARG 60 Cb -0.10 -4.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.15 2kcp s ARG 60 CO 0.31 -1.29 0.00 0.41 -0.81 0.00 0.00 175.30 173.93 2kcp n GLY 61 N 4.77 2.00 3.76 8.12 0.00 0.18 -5.00 105.19 119.02 2kcp n GLY 61 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.21 2.58 -0.32 4.61 0.00 -0.60 -4.55 121.76 121.27 2kcp s ALA 62 Ca 0.00 0.86 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 2kcp s ALA 62 Cb 0.00 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 2kcp s ALA 62 CO 0.00 -1.03 0.16 0.08 0.00 0.00 0.00 175.76 174.97 2kcp s VAL 63 N -1.79 4.63 -0.04 0.00 1.01 -1.26 -0.90 120.40 122.05 2kcp s VAL 63 Ca 0.74 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 2kcp s VAL 63 Cb -0.26 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2kcp s VAL 63 CO 0.32 0.05 0.06 0.68 0.00 0.00 0.00 175.10 176.21 2kcp s VAL 64 N 1.61 4.68 -0.32 2.92 -7.23 0.06 -3.51 120.40 118.62 2kcp s VAL 64 Ca 0.04 -0.31 -0.22 0.00 -1.81 0.00 0.00 61.98 59.69 2kcp s VAL 64 Cb -0.17 -3.08 -0.00 0.00 0.56 0.00 0.00 36.38 33.68 2kcp s VAL 64 CO 0.06 0.45 0.74 -0.70 -0.31 0.00 0.00 175.10 175.34 2kcp s GLU 65 N -1.43 3.89 0.49 4.82 2.56 0.61 -0.50 118.70 129.14 2kcp s GLU 65 Ca 0.19 0.43 0.04 0.00 0.00 0.00 0.00 54.97 55.63 2kcp s GLU 65 Cb -0.12 -3.75 -0.01 0.00 2.00 0.00 0.00 34.13 32.25 2kcp s GLU 65 CO 0.10 -0.69 0.16 0.95 -0.56 0.00 0.00 175.26 175.22 2kcp s THR 66 N 2.88 1.61 -0.56 -1.70 -4.23 0.48 0.55 115.64 114.66 2kcp s THR 66 Ca 0.30 -1.79 0.18 0.00 -1.18 0.00 0.00 61.69 59.20 2kcp s THR 66 Cb -0.14 -2.39 0.18 0.00 1.34 0.00 0.00 72.50 71.49 2kcp s THR 66 CO 0.13 0.00 1.55 -0.46 -0.54 0.00 0.00 174.62 175.31 2kcp n ASN 67 N -1.38 0.43 -0.01 3.99 6.94 -0.44 -1.85 115.26 122.94 2kcp n ASN 67 Ca -0.09 0.64 0.08 0.00 -0.02 0.00 0.00 54.58 55.19 2kcp n ASN 67 Cb 0.66 -0.72 -0.12 0.00 -2.36 0.00 0.00 39.78 37.24 2kcp n ASN 67 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2kcp n LEU 68 N -2.01 0.14 0.00 -4.53 4.77 -1.26 -5.03 117.00 109.07 2kcp n LEU 68 Ca 0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2kcp n LEU 68 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2kcp n LEU 68 CO 0.13 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2kcp n GLY 69 N 1.53 0.96 3.74 -0.72 0.00 -0.77 -5.07 105.19 104.87 2kcp n GLY 69 Ca -0.02 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 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 7.40 -0.07 1.61 0.02 -1.13 -0.39 114.94 118.38 2kcp s ASN 70 Ca 0.00 2.05 0.01 0.00 -1.02 0.00 0.00 52.86 53.90 2kcp s ASN 70 Cb 0.00 -2.61 0.02 0.00 0.02 0.00 0.00 41.25 38.68 2kcp s ASN 70 CO 0.00 -0.08 -0.09 -0.69 0.02 0.00 0.00 177.10 176.26 2kcp s VAL 71 N -0.64 0.93 -0.38 1.60 1.01 0.35 -0.17 120.40 123.10 2kcp s VAL 71 Ca 0.46 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.91 2kcp s VAL 71 Cb -0.28 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.21 2kcp s VAL 71 CO 0.35 0.32 0.57 -0.60 0.00 0.00 0.00 175.10 175.74 2kcp s ARG 72 N 0.94 3.51 0.02 2.72 3.52 0.08 -0.76 118.95 128.98 2kcp s ARG 72 Ca -0.10 -0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 55.00 2kcp s ARG 72 Cb -0.15 -3.86 -0.08 0.00 -1.56 0.00 0.00 34.95 29.30 2kcp s ARG 72 CO 0.01 -0.78 1.91 0.08 -0.81 0.00 0.00 175.30 175.71 2kcp s VAL 73 N 2.57 3.10 -0.16 7.11 1.01 -0.07 -0.78 120.40 133.18 2kcp s VAL 73 Ca 0.21 0.14 0.12 0.00 0.00 0.00 0.00 61.98 62.45 2kcp s VAL 73 Cb -0.15 -3.09 -0.23 0.00 0.00 0.00 0.00 36.38 32.91 2kcp s VAL 73 CO 0.15 -0.01 0.21 0.35 0.00 0.00 0.00 175.10 175.80 2kcp n THR 74 N 5.52 1.50 -3.60 3.92 -2.24 0.38 0.52 114.28 120.27 2kcp n THR 74 Ca 0.19 -0.78 -0.12 0.00 -2.27 0.00 0.00 64.05 61.07 2kcp n THR 74 Cb 0.41 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 2kcp n THR 74 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2kcp n SER 75 N -2.96 1.71 -4.53 3.42 2.88 -1.19 -4.86 113.62 108.09 2kcp n SER 75 Ca -0.31 -1.85 -0.41 0.00 -1.33 0.00 0.00 58.87 54.97 2kcp n SER 75 Cb 1.10 -0.04 -0.09 0.00 -0.75 0.00 0.00 64.21 64.43 2kcp n SER 75 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2kcp s ARG 76 N -3.05 3.43 -0.03 -1.46 1.81 -1.26 -4.44 118.95 113.95 2kcp s ARG 76 Ca 0.16 -0.53 -0.33 0.00 -1.72 0.00 0.00 55.73 53.31 2kcp s ARG 76 Cb -0.01 -3.85 -0.11 0.00 -0.45 0.00 0.00 34.95 30.53 2kcp s ARG 76 CO 0.10 -0.61 1.89 -2.30 -0.68 0.00 0.00 175.30 173.71 2kcp n PRO 77 N 5.41 2.41 0.00 3.54 -0.02 -1.26 -2.82 135.00 142.26 2kcp n PRO 77 Ca -0.09 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2kcp n PRO 77 Cb 0.49 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 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 4.40 1.87 3.63 -1.23 0.00 -1.21 -5.00 105.19 107.65 2kcp n GLY 78 Ca 0.21 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 3.60 -1.18 1.61 -1.52 -1.13 -1.00 119.66 120.04 2kcp s GLN 79 Ca 0.00 2.23 0.00 0.00 -1.95 0.00 0.00 55.36 55.64 2kcp s GLN 79 Cb 0.00 -4.26 0.00 0.00 -0.22 0.00 0.00 33.01 28.53 2kcp s GLN 79 CO 0.00 -1.56 0.00 -0.25 -0.25 0.00 0.00 175.29 173.23 2kcp n ASP 80 N 9.70 -5.61 -2.69 5.90 9.92 -1.26 -2.08 116.55 130.43 2kcp n ASP 80 Ca 0.25 0.28 -0.17 0.00 -0.53 0.00 0.00 54.79 54.61 2kcp n ASP 80 Cb 0.43 -4.09 0.06 0.00 -0.64 0.00 0.00 41.12 36.88 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 0.07 -0.11 3.20 0.44 0.00 -0.17 -4.79 105.19 103.84 2kcp n GLY 81 Ca -0.11 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.23 0.15 0.08 1.61 0.11 -0.88 -0.02 120.40 118.22 2kcp s VAL 82 Ca 0.41 -1.28 0.09 0.00 -2.93 0.00 0.00 61.98 58.27 2kcp s VAL 82 Cb -0.18 -1.40 -0.03 0.00 -1.53 0.00 0.00 36.38 33.24 2kcp s VAL 82 CO 0.52 -0.67 -0.22 -0.63 -3.33 0.00 0.00 175.10 170.76 2kcp s ILE 83 N -3.88 1.84 0.11 7.04 1.01 -1.26 -3.30 121.20 122.76 2kcp s ILE 83 Ca 0.06 -1.46 0.10 0.00 0.00 0.00 0.00 60.65 59.35 2kcp s ILE 83 Cb 0.05 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 2kcp s ILE 83 CO -0.10 0.10 -0.25 0.20 0.00 0.00 0.00 174.94 174.88 2kcp s ASN 84 N -1.63 3.10 0.07 3.58 -0.87 -1.26 0.06 114.94 117.99 2kcp s ASN 84 Ca 0.09 -0.70 -0.27 0.00 -1.57 0.00 0.00 52.86 50.40 2kcp s ASN 84 Cb -0.10 -0.21 0.08 0.00 -0.02 0.00 0.00 41.25 41.01 2kcp s ASN 84 CO 0.04 0.17 1.01 -0.83 -2.57 0.00 0.00 177.10 174.91 2kcp s GLY 85 N -1.87 -0.32 -0.10 0.66 0.00 0.19 -0.47 107.32 105.42 2kcp s GLY 85 Ca 0.12 0.49 -0.05 0.00 0.00 0.00 0.00 44.72 45.27 2kcp s GLY 85 CO 0.05 0.12 0.11 0.14 0.00 0.00 0.00 173.10 173.52 2kcp s VAL 86 N -3.07 5.19 -0.54 1.40 1.01 0.04 0.40 120.40 124.83 2kcp s VAL 86 Ca 0.11 0.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 2kcp s VAL 86 Cb -0.00 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.15 2kcp s VAL 86 CO -0.02 0.60 1.26 -0.22 0.00 0.00 0.00 175.10 176.73 2kcp s LEU 87 N -1.04 3.48 0.00 3.92 2.96 -0.06 -0.74 118.68 127.20 2kcp s LEU 87 Ca 0.15 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 2kcp s LEU 87 Cb -0.12 -3.24 -0.01 0.00 0.50 0.00 0.00 46.19 43.32 2kcp s LEU 87 CO 0.04 -1.50 0.09 2.30 -1.32 0.00 0.00 176.35 175.96 2kcp n ILE 88 N 6.79 0.00 -3.42 6.68 -5.35 0.76 -4.33 119.36 120.49 2kcp n ILE 88 Ca 0.11 -1.87 -0.26 0.00 -0.27 0.00 0.00 62.75 60.45 2kcp n ILE 88 Cb 0.49 0.61 -0.09 0.00 -1.74 0.00 0.00 39.64 38.90 2kcp n ILE 88 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2kcp n ARG 89 N -0.78 0.85 -0.02 6.28 5.12 -1.26 -2.85 116.66 124.00 2kcp n ARG 89 Ca -0.07 -3.57 -0.16 0.00 -1.93 0.00 0.00 57.85 52.12 2kcp n ARG 89 Cb 0.49 -1.71 -0.13 0.00 -1.16 0.00 0.00 32.46 29.94 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 4.99 0.13 -7.44 5.56 4.39 -2.00 -3.45 114.58 116.76 2kcp h GLU 90 Ca 0.19 -0.22 -0.41 0.00 0.34 0.00 0.00 59.36 59.26 2kcp h GLU 90 Cb 0.85 0.08 0.19 0.00 -0.10 0.00 0.00 28.75 29.77 2kcp h GLU 90 CO 0.50 1.08 0.16 -0.51 -1.16 0.00 0.00 179.01 179.08 2kcp s LEU 91 N -8.13 0.82 -0.80 1.33 1.43 -1.26 -4.84 118.68 107.23 2kcp s LEU 91 Ca -0.17 0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 53.22 2kcp s LEU 91 Cb -0.01 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.87 2kcp s LEU 91 CO 0.75 -4.09 2.17 -1.61 0.23 0.00 0.00 176.35 173.80 2kcp s GLU 92 N -5.50 2.12 -0.05 1.70 2.02 -1.26 -4.90 118.70 112.83 2kcp s GLU 92 Ca 0.72 0.24 -0.29 0.00 0.02 0.00 0.00 54.97 55.66 2kcp s GLU 92 Cb -0.08 -4.85 -0.07 0.00 0.10 0.00 0.00 34.13 29.23 2kcp s GLU 92 CO 0.56 -3.78 1.93 -3.38 0.02 0.00 0.00 175.26 170.60 2kcp s HIS 93 N 12.19 1.46 -1.10 1.61 -3.43 -1.26 -4.91 115.29 119.85 2kcp s HIS 93 Ca 0.82 -0.06 -0.18 0.00 -0.80 0.00 0.00 55.06 54.84 2kcp s HIS 93 Cb -0.11 -4.10 0.12 0.00 -1.43 0.00 0.00 32.58 27.06 2kcp s HIS 93 CO 0.07 -4.73 1.37 -1.58 -2.00 0.00 0.00 174.74 167.87 2kcp s HIS 94 N 5.20 3.11 -0.30 0.38 2.46 -1.26 -4.87 115.29 120.02 2kcp s HIS 94 Ca 0.86 -1.61 -0.17 0.00 0.47 0.00 0.00 55.06 54.62 2kcp s HIS 94 Cb -0.37 -4.43 0.18 0.00 -0.13 0.00 0.00 32.58 27.83 2kcp s HIS 94 CO 0.37 -1.57 1.15 -1.58 -2.47 0.00 0.00 174.74 170.64 2kcp s HIS 95 N 2.87 -0.32 0.03 3.88 5.65 -1.26 -5.16 115.29 120.98 2kcp s HIS 95 Ca 0.41 0.58 -0.26 0.00 0.25 0.00 0.00 55.06 56.05 2kcp s HIS 95 Cb -0.02 0.19 -0.05 0.00 -1.18 0.00 0.00 32.58 31.52 2kcp s HIS 95 CO -0.04 -0.16 0.80 -1.01 -0.65 0.00 0.00 174.74 173.68 2kcp s HIS 96 N 1.80 3.71 0.06 3.88 0.09 -1.26 -5.05 115.29 118.51 2kcp s HIS 96 Ca -0.04 1.49 -0.24 0.00 -0.00 0.00 0.00 55.06 56.27 2kcp s HIS 96 Cb -0.03 -2.87 0.06 0.00 -0.00 0.00 0.00 32.58 29.74 2kcp s HIS 96 CO -0.15 0.20 0.57 -1.58 -0.00 0.00 0.00 174.74 173.79 2kcp s HIS 97 N 0.22 -0.50 -2.87 1.40 5.04 -1.26 -5.32 115.29 112.00 2kcp s HIS 97 Ca 0.41 0.55 0.25 0.00 -1.54 0.00 0.00 55.06 54.73 2kcp s HIS 97 Cb -0.20 0.41 0.41 0.00 0.04 0.00 0.00 32.58 33.25 2kcp s HIS 97 CO 0.23 -0.70 1.39 0.72 -2.34 0.00 0.00 174.74 174.04