#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcp s ASP 2 N 0.00 4.72 -0.08 1.61 -4.77 -1.26 -5.10 116.67 111.79 2kcp s ASP 2 Ca 0.00 0.18 0.03 0.00 -3.30 0.00 0.00 52.55 49.46 2kcp s ASP 2 Cb 0.00 -0.79 -0.02 0.00 -1.09 0.00 0.00 42.92 41.02 2kcp s ASP 2 CO 0.00 -1.62 -0.16 -0.13 0.70 0.00 0.00 175.17 173.96 2kcp s ARG 3 N -5.16 2.81 0.30 2.11 1.81 -1.26 -5.13 118.95 114.44 2kcp s ARG 3 Ca 0.62 -0.73 0.11 0.00 -1.72 0.00 0.00 55.73 54.00 2kcp s ARG 3 Cb -0.09 -2.42 -0.05 0.00 -0.45 0.00 0.00 34.95 31.93 2kcp s ARG 3 CO 0.44 0.44 -0.14 1.03 -0.68 0.00 0.00 175.30 176.38 2kcp s ARG 4 N -0.25 1.80 -0.53 3.54 3.00 -1.26 -5.08 118.95 120.16 2kcp s ARG 4 Ca 0.01 -1.79 -0.27 0.00 0.00 0.00 0.00 55.73 53.68 2kcp s ARG 4 Cb -0.13 -1.79 -0.02 0.00 0.00 0.00 0.00 34.95 33.00 2kcp s ARG 4 CO 0.03 0.27 1.88 0.08 0.00 0.00 0.00 175.30 177.55 2kcp s VAL 5 N -2.52 3.37 -0.83 3.52 1.01 -1.26 -4.93 120.40 118.75 2kcp s VAL 5 Ca 0.31 0.27 -0.21 0.00 0.00 0.00 0.00 61.98 62.35 2kcp s VAL 5 Cb -0.03 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.65 2kcp s VAL 5 CO 0.16 -0.71 1.10 -0.13 0.00 0.00 0.00 175.10 175.52 2kcp s ARG 6 N 6.76 3.40 -0.03 2.72 0.52 -1.26 -4.79 118.95 126.27 2kcp s ARG 6 Ca 0.72 -1.30 0.07 0.00 -0.52 0.00 0.00 55.73 54.71 2kcp s ARG 6 Cb -0.15 -4.69 0.19 0.00 0.52 0.00 0.00 34.95 30.82 2kcp s ARG 6 CO 0.24 -1.85 1.15 1.47 0.02 0.00 0.00 175.30 176.33 2kcp n LEU 7 N 7.32 2.54 -4.62 2.53 -0.00 -1.26 -4.99 117.00 118.52 2kcp n LEU 7 Ca 0.14 -2.21 -0.43 0.00 -0.00 0.00 0.00 56.01 53.51 2kcp n LEU 7 Cb 0.48 -0.18 -0.03 0.00 -0.00 0.00 0.00 43.42 43.70 2kcp n LEU 7 CO 0.58 0.62 1.44 -0.51 -0.00 0.00 0.00 177.39 179.52 2kcp s ILE 8 N -1.36 3.59 0.28 1.47 2.07 -1.26 -4.98 121.20 121.01 2kcp s ILE 8 Ca 0.16 0.64 0.12 0.00 -1.41 0.00 0.00 60.65 60.15 2kcp s ILE 8 Cb 0.10 -3.68 -0.05 0.00 0.13 0.00 0.00 42.46 38.96 2kcp s ILE 8 CO 0.07 -0.35 -0.17 0.00 -1.91 0.00 0.00 174.94 172.57 2kcp s ARG 9 N 5.10 1.76 -0.49 3.50 1.04 -1.26 -5.09 118.95 123.50 2kcp s ARG 9 Ca 0.75 -1.74 -0.28 0.00 -1.04 0.00 0.00 55.73 53.42 2kcp s ARG 9 Cb -0.24 -1.81 0.01 0.00 -2.04 0.00 0.00 34.95 30.87 2kcp s ARG 9 CO 0.32 0.32 1.41 -0.08 -0.04 0.00 0.00 175.30 177.23 2kcp s THR 10 N -2.50 3.85 -0.03 4.99 -1.32 -1.26 -4.99 115.64 114.39 2kcp s THR 10 Ca 0.30 0.80 -0.10 0.00 -1.21 0.00 0.00 61.69 61.48 2kcp s THR 10 Cb -0.05 -4.33 0.01 0.00 -1.51 0.00 0.00 72.50 66.62 2kcp s THR 10 CO 0.16 -0.98 0.22 -0.13 -2.21 0.00 0.00 174.62 171.68 2kcp s ARG 11 N 5.24 0.47 -0.81 7.08 1.81 -1.26 -5.10 118.95 126.39 2kcp s ARG 11 Ca 0.56 -0.11 -0.25 0.00 -1.72 0.00 0.00 55.73 54.21 2kcp s ARG 11 Cb -0.12 0.21 -0.05 0.00 -0.45 0.00 0.00 34.95 34.54 2kcp s ARG 11 CO 0.29 -0.11 1.99 0.20 -0.68 0.00 0.00 175.30 176.99 2kcp s GLY 12 N -0.90 0.05 0.00 -3.53 0.00 -1.26 -4.24 107.32 97.45 2kcp s GLY 12 Ca -0.10 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.44 2kcp s GLY 12 CO 0.02 3.58 0.00 0.61 0.00 0.00 0.00 173.10 177.31 2kcp n GLY 13 N 6.56 -0.41 1.13 0.20 0.00 -1.26 -5.12 105.19 106.29 2kcp n GLY 13 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2kcp n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kcp n ASN 14 N 0.00 0.00 -3.66 1.61 2.85 -1.26 -5.17 115.26 109.63 2kcp n ASN 14 Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 2kcp n ASN 14 Cb 0.00 0.19 -0.06 0.00 1.24 0.00 0.00 39.78 41.15 2kcp n ASN 14 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2kcp s THR 15 N -0.56 0.06 0.53 -0.44 -1.32 -1.26 -5.16 115.64 107.49 2kcp s THR 15 Ca 0.00 -0.52 0.08 0.00 -1.21 0.00 0.00 61.69 60.04 2kcp s THR 15 Cb 0.00 -1.03 0.09 0.00 -1.51 0.00 0.00 72.50 70.05 2kcp s THR 15 CO 0.00 -0.29 0.73 0.29 -2.21 0.00 0.00 174.62 173.15 2kcp n LYS 16 N 0.27 0.59 -2.11 7.08 4.76 -1.26 -5.11 118.16 122.38 2kcp n LYS 16 Ca -0.18 -2.77 -0.32 0.00 -2.87 0.00 0.00 58.31 52.17 2kcp n LYS 16 Cb 0.61 -0.25 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 2kcp n LYS 16 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2kcp s VAL 17 N -2.26 4.05 0.90 -0.18 0.11 -1.26 -5.04 120.40 116.72 2kcp s VAL 17 Ca 0.55 0.95 -0.11 0.00 -2.93 0.00 0.00 61.98 60.44 2kcp s VAL 17 Cb -0.04 -3.49 0.14 0.00 -1.53 0.00 0.00 36.38 31.45 2kcp s VAL 17 CO 0.35 -0.60 1.11 -0.13 -3.33 0.00 0.00 175.10 172.51 2kcp s ARG 18 N -4.16 1.15 0.00 1.54 0.52 -1.26 -4.85 118.95 111.88 2kcp s ARG 18 Ca 0.62 1.29 0.03 0.00 -0.52 0.00 0.00 55.73 57.15 2kcp s ARG 18 Cb -0.14 -1.76 0.20 0.00 0.52 0.00 0.00 34.95 33.77 2kcp s ARG 18 CO 0.37 -2.45 0.54 1.47 0.02 0.00 0.00 175.30 175.25 2kcp n LEU 19 N -4.09 0.00 -0.13 2.53 -0.00 -1.26 -3.86 117.00 110.19 2kcp n LEU 19 Ca 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 56.03 2kcp n LEU 19 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.93 2kcp n LEU 19 CO 0.52 0.00 0.62 0.00 -0.00 0.00 0.00 177.39 178.53 2kcp h ALA 20 N 1.93 -0.22 -0.35 1.47 0.00 -2.01 -1.57 119.26 118.52 2kcp h ALA 20 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2kcp h ALA 20 Cb 0.00 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kcp h ALA 20 CO 0.00 -0.75 0.00 0.43 0.00 0.00 0.00 179.25 178.93 2kcp n SER 21 N -5.42 3.05 -2.56 0.00 7.64 -1.25 -4.62 113.62 110.47 2kcp n SER 21 Ca 0.01 -2.10 -0.10 0.00 1.01 0.00 0.00 58.87 57.69 2kcp n SER 21 Cb 0.34 -0.27 0.04 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.45 2.74 -4.61 6.43 9.92 -0.87 -5.07 116.55 125.54 2kcp n ASP 22 Ca 0.13 -2.73 -0.43 0.00 -0.53 0.00 0.00 54.79 51.23 2kcp n ASP 22 Cb 0.48 -0.45 -0.03 0.00 -0.64 0.00 0.00 41.12 40.49 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 -4.07 3.49 0.15 -3.53 2.01 -0.65 -4.60 115.64 108.44 2kcp s THR 23 Ca 0.35 0.51 -0.10 0.00 0.31 0.00 0.00 61.69 62.76 2kcp s THR 23 Cb 0.37 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 69.25 2kcp s THR 23 CO -0.02 -0.37 0.29 -0.13 -0.69 0.00 0.00 174.62 173.70 2kcp s ARG 24 N 5.48 1.10 -0.11 4.92 0.52 -1.26 -1.74 118.95 127.86 2kcp s ARG 24 Ca 0.79 -1.06 -0.07 0.00 -0.52 0.00 0.00 55.73 54.88 2kcp s ARG 24 Cb -0.24 0.39 0.04 0.00 0.52 0.00 0.00 34.95 35.67 2kcp s ARG 24 CO 0.33 -0.40 0.28 -1.50 0.02 0.00 0.00 175.30 174.03 2kcp s ILE 25 N -3.92 -0.03 -0.48 1.52 2.07 0.68 -3.81 121.20 117.23 2kcp s ILE 25 Ca 0.12 0.10 -0.27 0.00 -1.41 0.00 0.00 60.65 59.19 2kcp s ILE 25 Cb 0.03 -0.42 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 2kcp s ILE 25 CO -0.04 0.04 2.02 0.20 -1.91 0.00 0.00 174.94 175.25 2kcp s ASN 26 N 0.98 5.21 -0.21 4.50 0.01 0.21 -0.94 114.94 124.70 2kcp s ASN 26 Ca -0.07 0.90 -0.24 0.00 -0.71 0.00 0.00 52.86 52.74 2kcp s ASN 26 Cb -0.08 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 2kcp s ASN 26 CO -0.07 -2.32 0.78 -0.69 -1.51 0.00 0.00 177.10 173.30 2kcp s VAL 27 N 9.33 4.89 -0.48 1.60 1.01 0.53 -1.72 120.40 135.56 2kcp s VAL 27 Ca 0.81 1.50 -0.19 0.00 0.00 0.00 0.00 61.98 64.10 2kcp s VAL 27 Cb -0.18 -4.08 0.05 0.00 0.00 0.00 0.00 36.38 32.17 2kcp s VAL 27 CO 0.26 0.00 0.57 -0.69 0.00 0.00 0.00 175.10 175.25 2kcp s VAL 28 N 2.39 4.94 -0.31 2.92 1.01 0.33 -1.40 120.40 130.28 2kcp s VAL 28 Ca 0.35 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 2kcp s VAL 28 Cb -0.16 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 2kcp s VAL 28 CO 0.10 -0.69 1.43 -0.62 0.00 0.00 0.00 175.10 175.31 2kcp s ASP 29 N 2.44 6.48 0.06 3.32 -1.08 0.19 -1.21 116.67 126.87 2kcp s ASP 29 Ca 0.14 1.22 0.25 0.00 -0.52 0.00 0.00 52.55 53.64 2kcp s ASP 29 Cb -0.19 -2.54 1.01 0.00 -1.46 0.00 0.00 42.92 39.75 2kcp s ASP 29 CO 0.13 -1.24 1.79 -0.81 0.52 0.00 0.00 175.17 175.56 2kcp n PRO 30 N 7.63 0.07 0.03 4.34 -0.04 -1.26 -0.27 135.00 145.50 2kcp n PRO 30 Ca 0.17 0.13 -0.18 0.00 -0.04 0.00 0.00 63.50 63.57 2kcp n PRO 30 Cb 0.47 -1.59 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.24 0.00 0.54 4.39 -1.92 -3.41 114.58 114.42 2kcp h GLU 31 Ca 0.00 -0.41 -0.06 0.00 0.34 0.00 0.00 59.36 59.23 2kcp h GLU 31 Cb 0.49 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2kcp h GLU 31 CO 0.00 1.09 -1.30 0.25 -1.16 0.00 0.00 179.01 177.89 2kcp n THR 32 N -3.42 0.21 -0.53 1.13 -2.24 -1.24 -5.04 114.28 103.16 2kcp n THR 32 Ca -0.25 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2kcp n THR 32 Cb 1.05 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 2.51 0.70 3.88 3.38 0.00 0.63 -5.08 105.19 111.22 2kcp n GLY 33 Ca -0.05 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.82 3.75 -0.20 1.61 -2.85 -1.24 -4.84 119.74 115.16 2kcp s LYS 34 Ca 0.00 0.23 -0.01 0.00 -1.00 0.00 0.00 55.97 55.19 2kcp s LYS 34 Cb 0.00 -2.59 0.01 0.00 -2.06 0.00 0.00 37.83 33.18 2kcp s LYS 34 CO 0.00 0.21 -0.13 0.08 0.10 0.00 0.00 175.35 175.61 2kcp s VAL 35 N -2.01 2.64 -0.02 1.79 1.01 -1.26 -0.64 120.40 121.92 2kcp s VAL 35 Ca 0.47 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2kcp s VAL 35 Cb -0.11 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.11 2kcp s VAL 35 CO 0.26 0.49 -0.08 -0.70 0.00 0.00 0.00 175.10 175.07 2kcp s GLU 36 N 1.37 0.79 -0.38 2.72 2.12 -0.49 -4.92 118.70 119.91 2kcp s GLU 36 Ca 0.05 -0.26 -0.29 0.00 0.36 0.00 0.00 54.97 54.83 2kcp s GLU 36 Cb -0.14 -0.76 0.01 0.00 0.26 0.00 0.00 34.13 33.51 2kcp s GLU 36 CO -0.09 0.11 1.24 0.42 -0.54 0.00 0.00 175.26 176.40 2kcp s ILE 37 N 0.14 4.17 0.03 -3.70 1.01 -1.26 -0.35 121.20 121.25 2kcp s ILE 37 Ca -0.02 1.27 0.05 0.00 0.00 0.00 0.00 60.65 61.95 2kcp s ILE 37 Cb -0.07 -4.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 2kcp s ILE 37 CO 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 174.94 174.15 2kcp s ALA 38 N 4.51 2.94 0.09 9.38 0.00 -0.12 -4.90 121.76 133.66 2kcp s ALA 38 Ca 0.53 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 2kcp s ALA 38 Cb -0.12 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 2kcp s ALA 38 CO 0.26 0.62 0.97 -1.21 0.00 0.00 0.00 175.76 176.40 2kcp s GLU 39 N -1.62 4.67 -0.47 0.00 8.01 -1.26 -0.23 118.70 127.80 2kcp s GLU 39 Ca 0.18 1.46 -0.27 0.00 0.01 0.00 0.00 54.97 56.35 2kcp s GLU 39 Cb -0.11 -3.39 0.03 0.00 -4.31 0.00 0.00 34.13 26.35 2kcp s GLU 39 CO 0.09 0.16 1.02 0.42 0.01 0.00 0.00 175.26 176.96 2kcp s ILE 40 N 0.17 4.34 -0.05 -1.63 1.01 -0.71 -2.90 121.20 121.44 2kcp s ILE 40 Ca 0.48 0.96 -0.10 0.00 0.00 0.00 0.00 60.65 61.99 2kcp s ILE 40 Cb -0.23 -4.52 -0.30 0.00 0.01 0.00 0.00 42.46 37.42 2kcp s ILE 40 CO 0.30 -0.93 0.66 0.03 0.00 0.00 0.00 174.94 175.00 2kcp h ARG 41 N 9.16 0.37 -5.04 2.79 3.08 -0.78 -3.45 114.38 120.52 2kcp h ARG 41 Ca -0.24 -0.64 -0.66 0.00 0.07 0.00 0.00 59.98 58.51 2kcp h ARG 41 Cb 1.07 0.24 -0.30 0.00 0.08 0.00 0.00 29.97 31.06 2kcp h ARG 41 CO 1.08 1.29 -0.77 1.21 -1.07 0.00 0.00 179.97 181.71 2kcp s ASN 42 N -7.25 3.89 -0.03 7.04 2.47 -0.67 -4.99 114.94 115.40 2kcp s ASN 42 Ca -0.16 -0.47 0.15 0.00 0.42 0.00 0.00 52.86 52.80 2kcp s ASN 42 Cb 0.06 -1.64 0.48 0.00 -1.45 0.00 0.00 41.25 38.69 2kcp s ASN 42 CO 0.85 0.00 1.38 0.55 -3.72 0.00 0.00 177.10 176.16 2kcp n VAL 43 N 4.64 0.93 -4.04 -5.21 3.14 -1.26 -2.19 118.33 114.34 2kcp n VAL 43 Ca -0.19 -0.75 -0.13 0.00 -2.96 0.00 0.00 64.34 60.32 2kcp n VAL 43 Cb 0.51 0.21 -0.12 0.00 -1.06 0.00 0.00 33.84 33.38 2kcp n VAL 43 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2kcp s VAL 44 N -1.48 0.33 0.00 1.55 0.11 -1.26 -3.92 120.40 115.73 2kcp s VAL 44 Ca 0.35 -0.69 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 2kcp s VAL 44 Cb 0.20 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.67 2kcp s VAL 44 CO 0.21 -0.24 0.00 -1.84 -3.33 0.00 0.00 175.10 169.90 2kcp n GLU 45 N 2.06 -0.04 -1.60 1.54 0.28 -1.23 -4.73 120.64 116.93 2kcp n GLU 45 Ca -0.19 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.43 2kcp n GLU 45 Cb 0.56 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.38 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 -2.14 2.91 -3.48 -1.84 4.05 -1.26 -4.74 115.26 108.75 2kcp n ASN 46 Ca 0.00 -2.71 0.03 0.00 0.45 0.00 0.00 54.58 52.35 2kcp n ASN 46 Cb 0.00 -1.41 0.01 0.00 1.23 0.00 0.00 39.78 39.61 2kcp n ASN 46 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 2kcp n THR 47 N 6.70 0.00 0.05 -0.44 5.66 -1.26 -5.10 114.28 119.88 2kcp n THR 47 Ca 0.48 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 61.35 2kcp n THR 47 Cb 0.43 0.50 0.00 0.00 -1.55 0.00 0.00 70.33 69.71 2kcp n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kcp n ALA 48 N -1.21 3.00 -3.09 1.79 0.00 -1.26 -5.02 120.51 114.72 2kcp n ALA 48 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kcp n ALA 48 Cb 0.51 0.27 -0.00 0.00 0.00 0.00 0.00 19.45 20.22 2kcp n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kcp s ASN 49 N -5.72 -1.41 0.24 0.00 4.22 -1.26 -5.00 114.94 106.01 2kcp s ASN 49 Ca 0.00 -0.88 -0.04 0.00 -2.14 0.00 0.00 52.86 49.80 2kcp s ASN 49 Cb 0.00 1.81 0.27 0.00 1.28 0.00 0.00 41.25 44.61 2kcp s ASN 49 CO 0.00 -0.14 1.74 -0.65 -2.04 0.00 0.00 177.10 176.02 2kcp h PRO 50 N 6.51 0.90 -4.77 3.55 0.11 -2.00 -3.46 132.00 132.84 2kcp h PRO 50 Ca 0.04 -0.24 -0.33 0.00 0.11 0.00 0.00 66.00 65.58 2kcp h PRO 50 Cb 1.17 -0.11 -0.14 0.00 0.11 0.00 0.00 31.00 32.03 2kcp h PRO 50 CO 0.07 0.87 -0.59 -1.01 -0.21 0.00 0.00 178.00 177.13 2kcp s HIS 51 N -5.08 1.42 -1.00 0.65 3.76 -1.26 -5.08 115.29 108.70 2kcp s HIS 51 Ca -0.10 -1.37 -0.23 0.00 -0.15 0.00 0.00 55.06 53.21 2kcp s HIS 51 Cb 0.15 -0.73 -0.02 0.00 1.11 0.00 0.00 32.58 33.09 2kcp s HIS 51 CO 0.82 -0.57 1.79 -0.06 -0.85 0.00 0.00 174.74 175.88 2kcp s PHE 52 N -3.85 2.10 -0.10 1.40 0.08 -1.26 -4.94 117.98 111.41 2kcp s PHE 52 Ca 0.38 0.04 0.02 0.00 0.12 0.00 0.00 56.93 57.49 2kcp s PHE 52 Cb 0.06 -4.27 -0.02 0.00 -0.57 0.00 0.00 43.02 38.22 2kcp s PHE 52 CO 0.16 -1.73 -0.15 0.08 -0.10 0.00 0.00 175.22 173.48 2kcp s VAL 53 N 8.38 2.96 1.01 -0.44 1.01 -1.26 -5.13 120.40 126.93 2kcp s VAL 53 Ca 0.62 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 2kcp s VAL 53 Cb -0.03 -2.20 0.20 0.00 0.00 0.00 0.00 36.38 34.34 2kcp s VAL 53 CO -0.01 0.55 1.08 -0.13 0.00 0.00 0.00 175.10 176.59 2kcp s ARG 54 N -0.02 0.29 1.02 2.72 0.52 -1.26 -5.02 118.95 117.20 2kcp s ARG 54 Ca -0.04 0.67 -0.12 0.00 -0.52 0.00 0.00 55.73 55.72 2kcp s ARG 54 Cb -0.14 -1.71 0.20 0.00 0.52 0.00 0.00 34.95 33.82 2kcp s ARG 54 CO 0.04 -2.86 1.08 1.03 0.02 0.00 0.00 175.30 174.60 2kcp s ARG 55 N -4.84 0.25 -0.85 3.54 0.52 -1.26 -4.24 118.95 112.07 2kcp s ARG 55 Ca 0.66 0.75 -0.04 0.00 -0.52 0.00 0.00 55.73 56.58 2kcp s ARG 55 Cb -0.20 -1.70 -0.05 0.00 0.52 0.00 0.00 34.95 33.53 2kcp s ARG 55 CO 0.59 -2.91 0.75 0.09 0.02 0.00 0.00 175.30 173.84 2kcp n ASN 56 N -4.34 -6.25 -0.70 0.23 3.02 -1.26 -4.91 115.26 101.05 2kcp n ASN 56 Ca 0.05 -0.49 0.01 0.00 -0.03 0.00 0.00 54.58 54.13 2kcp n ASN 56 Cb 0.55 -4.61 0.06 0.00 -0.61 0.00 0.00 39.78 35.18 2kcp n ASN 56 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2kcp n ILE 57 N -2.69 0.42 -2.00 2.41 5.41 -1.25 -4.85 119.36 116.81 2kcp n ILE 57 Ca -0.05 -0.21 -0.40 0.00 1.00 0.00 0.00 62.75 63.09 2kcp n ILE 57 Cb 0.58 -0.46 -0.03 0.00 -0.71 0.00 0.00 39.64 39.03 2kcp n ILE 57 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2kcp s ILE 58 N -1.28 3.38 0.20 1.39 1.01 -1.26 -4.90 121.20 119.74 2kcp s ILE 58 Ca 0.08 0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.94 2kcp s ILE 58 Cb 0.06 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 2kcp s ILE 58 CO 0.02 -0.68 0.31 0.28 0.00 0.00 0.00 174.94 174.88 2kcp s THR 59 N 8.55 0.03 0.14 2.92 -1.32 -1.26 -4.66 115.64 120.04 2kcp s THR 59 Ca 0.73 -1.54 -0.32 0.00 -1.21 0.00 0.00 61.69 59.36 2kcp s THR 59 Cb -0.16 -2.12 -0.11 0.00 -1.51 0.00 0.00 72.50 68.60 2kcp s THR 59 CO 0.25 -0.13 1.80 -1.14 -2.21 0.00 0.00 174.62 173.20 2kcp n ARG 60 N -0.28 2.76 0.00 7.08 0.63 -1.26 -1.45 116.66 124.13 2kcp n ARG 60 Ca -0.03 1.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.90 2kcp n ARG 60 Cb 0.63 -2.88 0.00 0.00 0.45 0.00 0.00 32.46 30.66 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 4.14 3.00 3.75 5.14 0.00 -0.51 -5.00 105.19 115.71 2kcp n GLY 61 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.77 3.35 -0.26 4.61 0.00 -0.53 -4.83 121.76 121.33 2kcp s ALA 62 Ca 0.00 0.68 -0.07 0.00 0.00 0.00 0.00 51.96 52.56 2kcp s ALA 62 Cb 0.00 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 2kcp s ALA 62 CO 0.00 0.12 0.08 0.14 0.00 0.00 0.00 175.76 176.10 2kcp s VAL 63 N -1.13 4.28 0.13 0.00 -7.23 -1.26 -1.36 120.40 113.82 2kcp s VAL 63 Ca 0.42 -0.25 0.04 0.00 -1.81 0.00 0.00 61.98 60.38 2kcp s VAL 63 Cb -0.27 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.59 2kcp s VAL 63 CO 0.34 0.29 0.09 0.68 -0.31 0.00 0.00 175.10 176.19 2kcp s VAL 64 N 1.60 4.39 -0.27 1.32 -7.23 -0.48 -3.54 120.40 116.20 2kcp s VAL 64 Ca 0.06 -0.98 -0.15 0.00 -1.81 0.00 0.00 61.98 59.09 2kcp s VAL 64 Cb -0.15 -3.18 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 2kcp s VAL 64 CO 0.04 0.00 0.40 -0.70 -0.31 0.00 0.00 175.10 174.53 2kcp s GLU 65 N -2.74 4.03 0.54 4.82 2.12 -0.93 -0.39 118.70 126.14 2kcp s GLU 65 Ca 0.29 0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.76 2kcp s GLU 65 Cb -0.11 -3.65 0.03 0.00 0.26 0.00 0.00 34.13 30.65 2kcp s GLU 65 CO 0.22 -0.29 0.27 0.95 -0.54 0.00 0.00 175.26 175.87 2kcp s THR 66 N 2.12 1.40 -0.75 -1.70 -4.23 0.21 -0.03 115.64 112.66 2kcp s THR 66 Ca 0.16 -1.67 0.14 0.00 -1.18 0.00 0.00 61.69 59.14 2kcp s THR 66 Cb -0.16 -2.07 0.13 0.00 1.34 0.00 0.00 72.50 71.75 2kcp s THR 66 CO 0.10 0.00 1.44 -0.46 -0.54 0.00 0.00 174.62 175.15 2kcp n ASN 67 N -1.62 0.24 -0.92 3.99 6.94 -1.14 -1.08 115.26 121.67 2kcp n ASN 67 Ca -0.09 0.58 0.10 0.00 -0.02 0.00 0.00 54.58 55.16 2kcp n ASN 67 Cb 0.65 -0.62 0.13 0.00 -2.36 0.00 0.00 39.78 37.58 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 -1.79 2.97 0.00 -4.53 4.77 -1.26 -5.08 117.00 112.07 2kcp n LEU 68 Ca 0.02 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 2kcp n LEU 68 Cb 0.12 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2kcp n LEU 68 CO 0.11 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2kcp n GLY 69 N 1.22 -1.38 3.72 -0.72 0.00 -0.25 -4.98 105.19 102.81 2kcp n GLY 69 Ca 0.14 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 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 6.67 -0.09 1.61 -0.87 -1.22 -0.62 114.94 116.43 2kcp s ASN 70 Ca 0.00 2.52 0.02 0.00 -1.57 0.00 0.00 52.86 53.83 2kcp s ASN 70 Cb 0.00 -2.59 0.01 0.00 -0.02 0.00 0.00 41.25 38.65 2kcp s ASN 70 CO 0.00 -0.76 -0.14 -0.69 -2.57 0.00 0.00 177.10 172.95 2kcp s VAL 71 N 1.06 1.31 -0.30 1.60 1.01 0.47 -0.56 120.40 124.99 2kcp s VAL 71 Ca 0.67 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 2kcp s VAL 71 Cb -0.41 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 2kcp s VAL 71 CO 0.32 0.40 0.71 -0.60 0.00 0.00 0.00 175.10 175.93 2kcp s ARG 72 N 0.87 3.94 0.10 2.72 3.52 0.60 -1.38 118.95 129.32 2kcp s ARG 72 Ca -0.10 0.45 -0.31 0.00 -0.13 0.00 0.00 55.73 55.64 2kcp s ARG 72 Cb -0.15 -3.73 -0.08 0.00 -1.56 0.00 0.00 34.95 29.43 2kcp s ARG 72 CO 0.01 -0.62 1.53 0.08 -0.81 0.00 0.00 175.30 175.49 2kcp s VAL 73 N 2.78 3.06 -0.11 7.11 1.01 -0.47 -1.24 120.40 132.54 2kcp s VAL 73 Ca 0.29 0.66 -0.05 0.00 0.00 0.00 0.00 61.98 62.88 2kcp s VAL 73 Cb -0.15 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 2kcp s VAL 73 CO 0.12 0.03 -0.13 0.35 0.00 0.00 0.00 175.10 175.46 2kcp n THR 74 N 4.29 0.58 -2.73 3.92 -2.24 -0.00 -1.42 114.28 116.67 2kcp n THR 74 Ca 0.14 -0.15 -0.31 0.00 -2.27 0.00 0.00 64.05 61.46 2kcp n THR 74 Cb 0.41 -1.61 -0.03 0.00 -2.10 0.00 0.00 70.33 66.99 2kcp n THR 74 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2kcp s SER 75 N -5.91 6.55 -0.15 3.42 1.04 -0.88 -4.68 113.70 113.09 2kcp s SER 75 Ca -0.15 1.25 -0.29 0.00 0.48 0.00 0.00 55.95 57.24 2kcp s SER 75 Cb 0.06 -2.37 -0.03 0.00 0.10 0.00 0.00 66.02 63.77 2kcp s SER 75 CO 0.19 -0.45 1.49 -0.60 0.98 0.00 0.00 173.24 174.85 2kcp s ARG 76 N -3.91 4.09 -0.17 4.02 3.00 -1.26 -4.53 118.95 120.19 2kcp s ARG 76 Ca 0.53 1.83 -0.38 0.00 -1.00 0.00 0.00 55.73 56.71 2kcp s ARG 76 Cb -0.10 -3.92 -0.14 0.00 0.00 0.00 0.00 34.95 30.79 2kcp s ARG 76 CO 0.31 -0.93 1.76 -2.30 0.00 0.00 0.00 175.30 174.15 2kcp n PRO 77 N 7.10 1.56 0.00 5.12 -0.02 -1.26 -3.30 135.00 144.20 2kcp n PRO 77 Ca 0.16 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2kcp n PRO 77 Cb 0.44 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 4.13 1.19 3.55 -1.23 0.00 -1.07 -5.03 105.19 106.74 2kcp n GLY 78 Ca 0.24 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.79 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 1.67 -1.54 1.61 1.13 -1.12 -1.44 117.38 117.69 2kcp n GLN 79 Ca 0.00 0.50 -0.17 0.00 -1.94 0.00 0.00 57.00 55.38 2kcp n GLN 79 Cb 0.00 -2.82 -0.07 0.00 0.11 0.00 0.00 30.24 27.46 2kcp n GLN 79 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2kcp n ASP 80 N 9.96 -4.62 -0.56 1.08 8.00 -1.26 -0.78 116.55 128.37 2kcp n ASP 80 Ca 0.33 0.42 -0.03 0.00 0.71 0.00 0.00 54.79 56.22 2kcp n ASP 80 Cb 0.33 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 2kcp n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kcp n GLY 81 N -0.35 0.41 3.52 0.44 0.00 -0.52 -4.98 105.19 103.70 2kcp n GLY 81 Ca -0.18 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.46 0.02 0.10 1.61 0.11 0.04 -4.93 120.40 114.89 2kcp s VAL 82 Ca 0.03 -1.28 0.10 0.00 -2.93 0.00 0.00 61.98 57.90 2kcp s VAL 82 Cb -0.01 -2.00 -0.04 0.00 -1.53 0.00 0.00 36.38 32.80 2kcp s VAL 82 CO 0.04 -0.09 -0.23 -0.63 -3.33 0.00 0.00 175.10 170.86 2kcp s ILE 83 N -3.98 2.47 -0.01 7.04 1.01 -1.25 -2.61 121.20 123.88 2kcp s ILE 83 Ca 0.19 -1.53 0.08 0.00 0.00 0.00 0.00 60.65 59.38 2kcp s ILE 83 Cb 0.00 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 2kcp s ILE 83 CO 0.05 0.18 -0.24 0.20 0.00 0.00 0.00 174.94 175.13 2kcp s ASN 84 N -1.83 2.80 0.30 3.58 0.01 -1.26 0.65 114.94 119.19 2kcp s ASN 84 Ca 0.15 -0.45 -0.19 0.00 -0.71 0.00 0.00 52.86 51.65 2kcp s ASN 84 Cb -0.10 -0.30 0.05 0.00 0.41 0.00 0.00 41.25 41.31 2kcp s ASN 84 CO 0.06 0.28 0.84 -0.83 -1.51 0.00 0.00 177.10 175.94 2kcp s GLY 85 N -0.68 0.17 0.01 0.66 0.00 -0.70 -0.82 107.32 105.96 2kcp s GLY 85 Ca 0.09 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 44.34 2kcp s GLY 85 CO -0.00 0.27 -0.01 0.14 0.00 0.00 0.00 173.10 173.50 2kcp s VAL 86 N -2.70 4.04 -0.43 1.40 1.01 -0.38 -0.52 120.40 122.83 2kcp s VAL 86 Ca 0.15 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 2kcp s VAL 86 Cb -0.04 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.55 2kcp s VAL 86 CO 0.08 0.35 1.07 -0.22 0.00 0.00 0.00 175.10 176.38 2kcp s LEU 87 N -1.63 3.80 0.00 3.92 2.96 -0.35 -0.29 118.68 127.09 2kcp s LEU 87 Ca 0.20 0.54 0.03 0.00 -0.22 0.00 0.00 54.13 54.68 2kcp s LEU 87 Cb -0.11 -3.46 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 2kcp s LEU 87 CO 0.11 -1.10 0.11 2.30 -1.32 0.00 0.00 176.35 176.45 2kcp n ILE 88 N 6.48 0.00 -3.53 6.68 -5.35 0.28 -4.50 119.36 119.42 2kcp n ILE 88 Ca 0.10 -2.24 -0.28 0.00 -0.27 0.00 0.00 62.75 60.06 2kcp n ILE 88 Cb 0.48 0.73 -0.12 0.00 -1.74 0.00 0.00 39.64 39.00 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 -3.52 0.96 -0.15 6.28 1.81 -1.26 -3.41 118.95 119.66 2kcp s ARG 89 Ca 0.15 -1.87 -0.15 0.00 -1.72 0.00 0.00 55.73 52.14 2kcp s ARG 89 Cb 0.01 -1.72 -0.24 0.00 -0.45 0.00 0.00 34.95 32.55 2kcp s ARG 89 CO 0.11 -1.26 0.37 0.93 -0.68 0.00 0.00 175.30 174.77 2kcp h GLU 90 N 6.41 0.15 -7.49 3.54 5.08 -2.01 -3.48 114.58 116.78 2kcp h GLU 90 Ca 0.11 -0.26 -0.44 0.00 -1.00 0.00 0.00 59.36 57.78 2kcp h GLU 90 Cb 0.93 0.10 0.17 0.00 0.50 0.00 0.00 28.75 30.44 2kcp h GLU 90 CO 0.38 1.12 0.23 -0.51 -1.00 0.00 0.00 179.01 179.23 2kcp s LEU 91 N -7.53 1.49 0.24 1.33 1.43 -1.26 -4.97 118.68 109.41 2kcp s LEU 91 Ca -0.24 0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 53.27 2kcp s LEU 91 Cb 0.05 -2.71 -0.10 0.00 0.03 0.00 0.00 46.19 43.47 2kcp s LEU 91 CO 0.70 -3.38 1.50 -0.70 0.23 0.00 0.00 176.35 174.70 2kcp s GLU 92 N -5.40 4.23 -0.59 1.70 2.12 -1.26 -4.93 118.70 114.57 2kcp s GLU 92 Ca 0.69 2.37 -0.27 0.00 0.36 0.00 0.00 54.97 58.12 2kcp s GLU 92 Cb -0.11 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 31.16 2kcp s GLU 92 CO 0.55 -0.50 1.86 -1.01 -0.54 0.00 0.00 175.26 175.62 2kcp s HIS 93 N 0.23 1.67 0.00 5.30 3.76 -1.26 -4.86 115.29 120.13 2kcp s HIS 93 Ca 0.62 0.79 0.00 0.00 -0.15 0.00 0.00 55.06 56.32 2kcp s HIS 93 Cb -0.43 -4.09 0.00 0.00 1.11 0.00 0.00 32.58 29.17 2kcp s HIS 93 CO 0.42 -2.35 1.49 0.72 -0.85 0.00 0.00 174.74 174.17 2kcp n HIS 94 N 12.58 0.00 -3.56 1.40 -0.00 -1.26 -4.50 115.22 119.88 2kcp n HIS 94 Ca 0.21 -0.75 -0.34 0.00 -0.00 0.00 0.00 57.72 56.85 2kcp n HIS 94 Cb 0.52 -0.40 -0.07 0.00 -0.00 0.00 0.00 29.99 30.04 2kcp n HIS 94 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kcp n HIS 95 N 1.27 3.71 0.24 4.41 8.25 -1.26 -4.87 115.22 126.97 2kcp n HIS 95 Ca 0.00 -3.98 0.12 0.00 -0.26 0.00 0.00 57.72 53.59 2kcp n HIS 95 Cb 0.44 -0.94 0.10 0.00 1.12 0.00 0.00 29.99 30.71 2kcp n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kcp h HIS 96 N 5.41 0.00 -0.08 4.41 -0.00 -2.03 -3.41 115.15 119.46 2kcp h HIS 96 Ca 0.17 0.00 -0.70 0.00 -0.00 0.00 0.00 60.37 59.85 2kcp h HIS 96 Cb 0.74 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.12 2kcp h HIS 96 CO 0.75 0.00 2.94 0.72 -0.00 0.00 0.00 177.93 182.34 2kcp n HIS 97 N -2.70 3.42 -1.61 2.45 8.25 -1.26 -5.30 115.22 118.46 2kcp n HIS 97 Ca 0.02 -2.81 0.00 0.00 -0.26 0.00 0.00 57.72 54.67 2kcp n HIS 97 Cb 0.52 -2.46 0.00 0.00 1.12 0.00 0.00 29.99 29.17 2kcp n HIS 97 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70