#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 4.29 -0.17 1.61 1.11 -1.26 -5.08 116.67 117.18 2kcp s ASP 2 Ca 0.00 0.68 -0.00 0.00 0.18 0.00 0.00 52.55 53.41 2kcp s ASP 2 Cb 0.00 -1.10 -0.00 0.00 1.07 0.00 0.00 42.92 42.88 2kcp s ASP 2 CO 0.00 -2.03 -0.14 0.00 1.18 0.00 0.00 175.17 174.18 2kcp s ARG 3 N -5.62 3.22 0.00 8.23 3.03 -1.26 -5.00 118.95 121.55 2kcp s ARG 3 Ca 0.64 -0.74 0.18 0.00 2.03 0.00 0.00 55.73 57.84 2kcp s ARG 3 Cb -0.10 -2.68 0.59 0.00 -1.03 0.00 0.00 34.95 31.73 2kcp s ARG 3 CO 0.49 -0.03 1.45 -2.13 -1.13 0.00 0.00 175.30 173.96 2kcp n ARG 4 N 4.20 1.86 -1.99 3.89 0.00 -1.26 -4.58 116.66 118.79 2kcp n ARG 4 Ca -0.19 -1.31 -0.25 0.00 -0.00 0.00 0.00 57.85 56.09 2kcp n ARG 4 Cb 0.51 -1.38 -0.06 0.00 0.00 0.00 0.00 32.46 31.54 2kcp n ARG 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2kcp s VAL 5 N -1.66 3.41 -1.34 5.15 0.11 -1.26 -3.74 120.40 121.07 2kcp s VAL 5 Ca 0.31 -0.45 -0.03 0.00 -2.93 0.00 0.00 61.98 58.88 2kcp s VAL 5 Cb 0.17 -4.04 0.01 0.00 -1.53 0.00 0.00 36.38 30.99 2kcp s VAL 5 CO 0.24 -0.82 0.79 0.54 -3.33 0.00 0.00 175.10 172.51 2kcp n ARG 6 N 8.69 -5.26 -0.02 1.54 3.00 -1.26 -4.93 116.66 118.41 2kcp n ARG 6 Ca 0.42 0.64 -0.18 0.00 -0.01 0.00 0.00 57.85 58.73 2kcp n ARG 6 Cb 0.46 -5.31 -0.14 0.00 0.00 0.00 0.00 32.46 27.48 2kcp n ARG 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2kcp h LEU 7 N -1.94 0.22 -9.55 0.55 5.85 -1.81 -3.45 115.31 105.19 2kcp h LEU 7 Ca -0.60 -0.93 -0.53 0.00 0.84 0.00 0.00 57.88 56.66 2kcp h LEU 7 Cb 1.36 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 2kcp h LEU 7 CO 0.58 1.26 0.45 -0.51 -0.34 0.00 0.00 178.44 179.87 2kcp s ILE 8 N -2.34 4.25 -0.09 4.05 1.10 -1.26 -4.95 121.20 121.96 2kcp s ILE 8 Ca -0.18 1.77 0.16 0.00 -0.51 0.00 0.00 60.65 61.89 2kcp s ILE 8 Cb -0.00 -4.13 0.35 0.00 0.15 0.00 0.00 42.46 38.82 2kcp s ILE 8 CO 0.74 0.22 1.16 -2.11 -2.11 0.00 0.00 174.94 172.85 2kcp n ARG 9 N 3.14 0.75 -1.18 3.50 1.85 -1.26 -5.08 116.66 118.38 2kcp n ARG 9 Ca 0.05 -2.41 -0.45 0.00 -1.00 0.00 0.00 57.85 54.04 2kcp n ARG 9 Cb 0.48 -0.86 -0.12 0.00 -1.05 0.00 0.00 32.46 30.91 2kcp n ARG 9 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2kcp n THR 10 N -0.42 0.00 -3.72 8.89 -1.04 -1.26 -4.91 114.28 111.81 2kcp n THR 10 Ca 0.11 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.00 2kcp n THR 10 Cb 0.85 -0.44 -0.11 0.00 -1.82 0.00 0.00 70.33 68.81 2kcp n THR 10 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2kcp s ARG 11 N 6.33 0.36 0.00 -2.82 6.06 -1.26 -5.16 118.95 122.47 2kcp s ARG 11 Ca 1.10 0.62 0.00 0.00 -2.50 0.00 0.00 55.73 54.96 2kcp s ARG 11 Cb -1.22 0.04 0.00 0.00 0.06 0.00 0.00 34.95 33.84 2kcp s ARG 11 CO 0.51 -0.12 0.00 0.41 -2.50 0.00 0.00 175.30 173.60 2kcp n GLY 12 N 3.73 4.11 0.00 8.12 0.00 -1.26 -5.16 105.19 114.73 2kcp n GLY 12 Ca -0.20 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.39 0.42 2.83 -0.02 0.00 -1.26 -5.14 105.19 100.64 2kcp n GLY 13 Ca 0.00 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 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 0.97 0.91 1.61 3.84 -1.26 -5.16 114.94 115.85 2kcp s ASN 14 Ca 0.00 0.06 -0.11 0.00 0.21 0.00 0.00 52.86 53.02 2kcp s ASN 14 Cb 0.00 0.51 0.13 0.00 -0.55 0.00 0.00 41.25 41.35 2kcp s ASN 14 CO 0.00 -0.30 1.09 0.28 -2.79 0.00 0.00 177.10 175.39 2kcp s THR 15 N 2.37 2.63 0.00 -5.21 -1.32 -1.26 -4.99 115.64 107.85 2kcp s THR 15 Ca 0.06 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.74 2kcp s THR 15 Cb -0.14 -2.60 0.00 0.00 -1.51 0.00 0.00 72.50 68.25 2kcp s THR 15 CO -0.11 -0.27 0.08 1.17 -2.21 0.00 0.00 174.62 173.29 2kcp n LYS 16 N -3.97 4.77 -4.02 7.08 3.00 -1.26 -5.07 118.16 118.69 2kcp n LYS 16 Ca 0.07 -0.08 -0.11 0.00 -0.00 0.00 0.00 58.31 58.19 2kcp n LYS 16 Cb 0.54 -0.53 -0.11 0.00 0.00 0.00 0.00 35.03 34.94 2kcp n LYS 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2kcp s VAL 17 N -0.70 0.32 0.35 3.15 0.11 -1.26 -5.05 120.40 117.31 2kcp s VAL 17 Ca 0.00 -1.03 0.07 0.00 -2.93 0.00 0.00 61.98 58.09 2kcp s VAL 17 Cb 0.00 -0.47 0.14 0.00 -1.53 0.00 0.00 36.38 34.52 2kcp s VAL 17 CO 0.00 -0.47 1.86 0.08 -3.33 0.00 0.00 175.10 173.25 2kcp h ARG 18 N 4.52 0.35 -1.23 1.54 0.11 -1.98 -3.45 114.38 114.23 2kcp h ARG 18 Ca -0.34 -0.09 0.17 0.00 0.10 0.00 0.00 59.98 59.82 2kcp h ARG 18 Cb 1.20 -0.04 -0.30 0.00 1.11 0.00 0.00 29.97 31.94 2kcp h ARG 18 CO 0.42 0.49 0.56 -1.17 0.10 0.00 0.00 179.97 180.36 2kcp s LEU 19 N -8.79 -0.28 -0.24 0.08 0.20 -1.26 -4.43 118.68 103.97 2kcp s LEU 19 Ca -0.06 0.44 -0.11 0.00 0.69 0.00 0.00 54.13 55.09 2kcp s LEU 19 Cb 0.15 1.40 0.08 0.00 -0.43 0.00 0.00 46.19 47.39 2kcp s LEU 19 CO 0.75 -0.07 0.55 0.00 -0.29 0.00 0.00 176.35 177.29 2kcp s ALA 20 N 1.27 -1.53 0.00 5.97 0.00 -1.26 -4.98 121.76 121.23 2kcp s ALA 20 Ca -0.08 1.98 0.00 0.00 0.00 0.00 0.00 51.96 53.86 2kcp s ALA 20 Cb -0.03 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2kcp s ALA 20 CO -0.13 -0.51 0.00 0.45 0.00 0.00 0.00 175.76 175.57 2kcp n SER 21 N 4.70 0.00 -4.51 0.00 2.88 -1.26 -4.83 113.62 110.60 2kcp n SER 21 Ca -0.17 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.01 2kcp n SER 21 Cb 0.54 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.89 2kcp n SER 21 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kcp s ASP 22 N 0.00 5.20 -0.38 -3.46 -1.08 -1.26 -5.08 116.67 110.61 2kcp s ASP 22 Ca 0.00 -0.10 -0.15 0.00 -0.52 0.00 0.00 52.55 51.77 2kcp s ASP 22 Cb 0.00 -1.90 0.00 0.00 -1.46 0.00 0.00 42.92 39.56 2kcp s ASP 22 CO 0.00 0.07 0.35 -0.89 0.52 0.00 0.00 175.17 175.22 2kcp s THR 23 N 0.96 5.18 0.21 1.71 2.01 -1.26 -4.95 115.64 119.51 2kcp s THR 23 Ca 0.03 -0.25 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 2kcp s THR 23 Cb -0.14 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2kcp s THR 23 CO 0.02 -0.21 0.13 -0.13 -0.69 0.00 0.00 174.62 173.74 2kcp s ARG 24 N 1.93 1.22 -0.12 4.92 0.52 -1.26 -1.41 118.95 124.75 2kcp s ARG 24 Ca 0.10 -1.64 -0.16 0.00 -0.52 0.00 0.00 55.73 53.50 2kcp s ARG 24 Cb -0.17 0.22 0.04 0.00 0.52 0.00 0.00 34.95 35.56 2kcp s ARG 24 CO 0.12 -0.38 0.42 -1.50 0.02 0.00 0.00 175.30 173.98 2kcp s ILE 25 N -4.12 0.01 -0.61 1.52 2.07 0.47 -4.67 121.20 115.87 2kcp s ILE 25 Ca 0.39 -0.10 -0.28 0.00 -1.41 0.00 0.00 60.65 59.25 2kcp s ILE 25 Cb 0.07 -0.63 0.02 0.00 0.13 0.00 0.00 42.46 42.05 2kcp s ILE 25 CO 0.12 -0.06 1.38 0.20 -1.91 0.00 0.00 174.94 174.68 2kcp s ASN 26 N -0.20 6.12 0.06 4.50 0.01 0.34 -1.12 114.94 124.65 2kcp s ASN 26 Ca -0.04 0.10 -0.23 0.00 -0.71 0.00 0.00 52.86 51.98 2kcp s ASN 26 Cb -0.03 -2.55 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 2kcp s ASN 26 CO 0.02 -1.76 0.70 -0.69 -1.51 0.00 0.00 177.10 173.86 2kcp s VAL 27 N 6.05 4.69 -0.38 1.60 1.01 0.28 -0.87 120.40 132.78 2kcp s VAL 27 Ca 0.48 1.49 -0.05 0.00 0.00 0.00 0.00 61.98 63.90 2kcp s VAL 27 Cb -0.10 -4.04 0.08 0.00 0.00 0.00 0.00 36.38 32.32 2kcp s VAL 27 CO 0.22 0.44 0.17 -0.69 0.00 0.00 0.00 175.10 175.25 2kcp s VAL 28 N -0.49 3.60 -0.15 2.92 1.01 0.17 0.24 120.40 127.70 2kcp s VAL 28 Ca 0.35 -1.59 -0.29 0.00 0.00 0.00 0.00 61.98 60.45 2kcp s VAL 28 Cb -0.20 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 2kcp s VAL 28 CO 0.22 -0.45 1.84 -0.62 0.00 0.00 0.00 175.10 176.08 2kcp s ASP 29 N 1.76 6.21 0.09 3.32 2.15 -0.41 -1.19 116.67 128.60 2kcp s ASP 29 Ca 0.03 1.98 0.22 0.00 0.43 0.00 0.00 52.55 55.20 2kcp s ASP 29 Cb -0.22 -2.53 0.90 0.00 -0.30 0.00 0.00 42.92 40.77 2kcp s ASP 29 CO -0.01 -1.34 1.70 -0.81 -0.17 0.00 0.00 175.17 174.54 2kcp n PRO 30 N 7.84 0.08 0.07 4.34 -0.04 -1.26 0.42 135.00 146.45 2kcp n PRO 30 Ca 0.21 0.21 -0.22 0.00 -0.04 0.00 0.00 63.50 63.67 2kcp n PRO 30 Cb 0.44 -1.62 -0.15 0.00 -0.04 0.00 0.00 33.50 32.13 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 0.36 0.00 0.54 5.08 -1.93 -3.39 114.58 115.25 2kcp h GLU 31 Ca 0.00 -0.61 -0.33 0.00 -1.00 0.00 0.00 59.36 57.42 2kcp h GLU 31 Cb 0.42 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 2kcp h GLU 31 CO 0.00 1.29 -2.28 0.25 -1.00 0.00 0.00 179.01 177.27 2kcp n THR 32 N -3.99 1.24 -0.55 1.13 -2.24 -1.20 -5.01 114.28 103.66 2kcp n THR 32 Ca -0.16 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 2kcp n THR 32 Cb 0.91 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 1.80 0.71 3.89 3.38 0.00 0.17 -5.07 105.19 110.07 2kcp n GLY 33 Ca -0.30 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.63 3.11 -0.41 1.61 -2.85 -1.20 -4.84 119.74 114.53 2kcp s LYS 34 Ca 0.00 0.34 0.02 0.00 -1.00 0.00 0.00 55.97 55.33 2kcp s LYS 34 Cb 0.00 -2.15 0.11 0.00 -2.06 0.00 0.00 37.83 33.73 2kcp s LYS 34 CO 0.00 -0.74 0.16 0.08 0.10 0.00 0.00 175.35 174.95 2kcp s VAL 35 N -3.13 2.71 0.56 1.79 1.01 -1.26 -1.28 120.40 120.79 2kcp s VAL 35 Ca 0.55 -2.51 0.02 0.00 0.00 0.00 0.00 61.98 60.04 2kcp s VAL 35 Cb -0.11 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.40 2kcp s VAL 35 CO 0.49 -0.68 0.78 -1.83 0.00 0.00 0.00 175.10 173.86 2kcp s GLU 36 N 0.66 2.48 -0.11 2.72 1.03 0.14 -4.86 118.70 120.76 2kcp s GLU 36 Ca 0.12 -0.87 -0.00 0.00 0.03 0.00 0.00 54.97 54.25 2kcp s GLU 36 Cb -0.21 -2.50 -0.02 0.00 -0.80 0.00 0.00 34.13 30.60 2kcp s GLU 36 CO -0.05 -0.75 -0.09 0.42 -1.33 0.00 0.00 175.26 173.46 2kcp s ILE 37 N -2.76 3.45 0.10 1.83 1.01 -1.26 0.99 121.20 124.55 2kcp s ILE 37 Ca 0.58 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.74 2kcp s ILE 37 Cb -0.10 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 2kcp s ILE 37 CO 0.39 0.55 -0.13 0.00 0.00 0.00 0.00 174.94 175.75 2kcp s ALA 38 N -0.16 1.27 -0.17 9.38 0.00 -0.28 -4.91 121.76 126.89 2kcp s ALA 38 Ca 0.01 -1.17 -0.18 0.00 0.00 0.00 0.00 51.96 50.62 2kcp s ALA 38 Cb -0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2kcp s ALA 38 CO 0.03 0.07 0.50 -1.21 0.00 0.00 0.00 175.76 175.15 2kcp s GLU 39 N -2.44 4.24 -0.38 0.00 2.02 -1.26 -0.40 118.70 120.48 2kcp s GLU 39 Ca 0.05 0.41 -0.29 0.00 0.02 0.00 0.00 54.97 55.16 2kcp s GLU 39 Cb -0.06 -3.52 0.02 0.00 0.10 0.00 0.00 34.13 30.67 2kcp s GLU 39 CO 0.02 -0.04 1.15 0.42 0.02 0.00 0.00 175.26 176.82 2kcp s ILE 40 N 1.29 4.31 -0.13 -1.63 1.01 -0.50 -1.63 121.20 123.92 2kcp s ILE 40 Ca 0.24 1.44 -0.24 0.00 0.00 0.00 0.00 60.65 62.10 2kcp s ILE 40 Cb -0.15 -4.44 -0.26 0.00 0.01 0.00 0.00 42.46 37.62 2kcp s ILE 40 CO 0.10 -0.69 0.64 0.03 0.00 0.00 0.00 174.94 175.02 2kcp h ARG 41 N 8.82 0.10 -4.53 2.79 3.08 -0.44 -3.47 114.38 120.74 2kcp h ARG 41 Ca -0.23 -0.17 -0.21 0.00 0.07 0.00 0.00 59.98 59.44 2kcp h ARG 41 Cb 1.07 0.06 -0.15 0.00 0.08 0.00 0.00 29.97 31.03 2kcp h ARG 41 CO 1.07 1.08 -0.66 -0.80 -1.07 0.00 0.00 179.97 179.59 2kcp s ASN 42 N -6.64 0.67 0.00 7.04 0.01 -0.27 -5.00 114.94 110.75 2kcp s ASN 42 Ca -0.20 -1.15 0.04 0.00 -0.71 0.00 0.00 52.86 50.84 2kcp s ASN 42 Cb 0.01 0.21 0.06 0.00 0.41 0.00 0.00 41.25 41.94 2kcp s ASN 42 CO 0.71 -0.64 0.75 0.55 -1.51 0.00 0.00 177.10 176.96 2kcp n VAL 43 N -0.11 0.24 -2.08 1.60 3.14 -1.26 0.07 118.33 119.94 2kcp n VAL 43 Ca -0.07 -0.62 -0.40 0.00 -2.96 0.00 0.00 64.34 60.29 2kcp n VAL 43 Cb 0.63 0.95 -0.03 0.00 -1.06 0.00 0.00 33.84 34.33 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 -0.52 3.43 0.00 1.55 0.11 -1.26 -4.64 120.40 119.07 2kcp s VAL 44 Ca 0.06 0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 2kcp s VAL 44 Cb 0.04 -3.96 0.00 0.00 -1.53 0.00 0.00 36.38 30.93 2kcp s VAL 44 CO 0.06 -0.87 0.00 -1.84 -3.33 0.00 0.00 175.10 169.12 2kcp n GLU 45 N 8.99 -0.23 -1.85 1.54 0.28 -1.21 -4.75 120.64 123.41 2kcp n GLU 45 Ca 0.20 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.98 2kcp n GLU 45 Cb 0.51 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.31 2kcp n GLU 45 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2kcp s ASN 46 N -1.36 4.46 0.35 -1.84 2.47 -1.26 -4.79 114.94 112.96 2kcp s ASN 46 Ca 0.00 -0.82 -0.17 0.00 0.42 0.00 0.00 52.86 52.30 2kcp s ASN 46 Cb 0.00 -2.57 0.06 0.00 -1.45 0.00 0.00 41.25 37.29 2kcp s ASN 46 CO 0.00 -3.52 0.86 1.07 -3.72 0.00 0.00 177.10 171.78 2kcp n THR 47 N 8.32 0.00 -0.87 -5.21 5.66 -1.26 -5.18 114.28 115.74 2kcp n THR 47 Ca 0.43 -0.89 -0.30 0.00 -3.05 0.00 0.00 64.05 60.24 2kcp n THR 47 Cb 0.46 0.94 0.24 0.00 -1.55 0.00 0.00 70.33 70.42 2kcp n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kcp s ALA 48 N -2.08 0.20 -0.03 1.79 0.00 -1.26 -4.99 121.76 115.38 2kcp s ALA 48 Ca 0.18 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 2kcp s ALA 48 Cb -0.04 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 2kcp s ALA 48 CO 0.10 -3.71 0.97 -0.80 0.00 0.00 0.00 175.76 172.32 2kcp s ASN 49 N -3.44 7.31 0.26 0.00 0.01 -1.26 -5.01 114.94 112.80 2kcp s ASN 49 Ca 0.69 1.59 -0.30 0.00 -0.71 0.00 0.00 52.86 54.14 2kcp s ASN 49 Cb -0.15 -2.56 -0.09 0.00 0.41 0.00 0.00 41.25 38.87 2kcp s ASN 49 CO 0.58 -0.30 1.16 -2.84 -1.51 0.00 0.00 177.10 174.19 2kcp s PRO 50 N 1.27 4.56 -0.00 -0.60 0.02 -1.26 -4.95 135.00 134.03 2kcp s PRO 50 Ca 0.50 1.88 -0.00 0.00 0.02 0.00 0.00 61.00 63.40 2kcp s PRO 50 Cb -0.20 -3.19 -0.00 0.00 0.02 0.00 0.00 34.50 31.13 2kcp s PRO 50 CO 0.25 0.07 -0.00 0.72 -0.33 0.00 0.00 177.00 177.70 2kcp n HIS 51 N 1.56 0.00 -3.38 6.54 8.25 -1.26 -4.81 115.22 122.12 2kcp n HIS 51 Ca 0.01 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.02 2kcp n HIS 51 Cb 0.44 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 2kcp n HIS 51 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2kcp s PHE 52 N -2.00 3.51 -0.15 4.41 0.08 -1.26 -5.01 117.98 117.56 2kcp s PHE 52 Ca -0.00 -1.77 -0.29 0.00 0.12 0.00 0.00 56.93 54.98 2kcp s PHE 52 Cb 0.00 -3.73 0.10 0.00 -0.57 0.00 0.00 43.02 38.82 2kcp s PHE 52 CO 0.00 -0.99 0.88 0.54 -0.10 0.00 0.00 175.22 175.56 2kcp s VAL 53 N 0.81 0.00 -0.27 -0.44 0.11 -1.26 -5.10 120.40 114.25 2kcp s VAL 53 Ca 0.11 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.04 2kcp s VAL 53 Cb -0.20 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.53 2kcp s VAL 53 CO -0.03 0.00 -0.34 0.54 -3.33 0.00 0.00 175.10 171.94 2kcp n ARG 54 N 1.16 0.58 -4.30 1.54 3.00 -1.26 -5.08 116.66 112.30 2kcp n ARG 54 Ca -0.13 0.24 -0.18 0.00 -0.01 0.00 0.00 57.85 57.77 2kcp n ARG 54 Cb 0.57 -1.47 -0.09 0.00 0.00 0.00 0.00 32.46 31.48 2kcp n ARG 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2kcp s ARG 55 N -2.50 1.60 -0.48 5.56 1.70 -1.26 -5.13 118.95 118.45 2kcp s ARG 55 Ca -0.37 -1.91 -0.20 0.00 -0.47 0.00 0.00 55.73 52.77 2kcp s ARG 55 Cb 0.14 0.13 0.04 0.00 -0.57 0.00 0.00 34.95 34.69 2kcp s ARG 55 CO 0.49 -0.52 0.66 0.54 -1.08 0.00 0.00 175.30 175.39 2kcp s ASN 56 N -3.34 6.28 -0.67 -2.89 4.22 -1.26 -5.03 114.94 112.25 2kcp s ASN 56 Ca 0.38 -0.61 -0.24 0.00 -2.14 0.00 0.00 52.86 50.25 2kcp s ASN 56 Cb 0.04 -2.32 0.05 0.00 1.28 0.00 0.00 41.25 40.31 2kcp s ASN 56 CO 0.20 -0.87 1.06 -0.63 -2.04 0.00 0.00 177.10 174.82 2kcp s ILE 57 N 2.84 4.14 -0.34 0.54 1.09 -1.26 -5.01 121.20 123.21 2kcp s ILE 57 Ca 0.20 -0.00 -0.16 0.00 -1.10 0.00 0.00 60.65 59.58 2kcp s ILE 57 Cb -0.16 -4.74 -0.01 0.00 -1.06 0.00 0.00 42.46 36.49 2kcp s ILE 57 CO 0.16 -1.53 0.41 -0.63 -0.10 0.00 0.00 174.94 173.24 2kcp s ILE 58 N 4.58 5.13 0.36 2.92 1.01 -1.26 -5.04 121.20 128.90 2kcp s ILE 58 Ca 0.28 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 61.11 2kcp s ILE 58 Cb -0.13 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.49 2kcp s ILE 58 CO 0.13 -0.10 0.49 1.07 0.00 0.00 0.00 174.94 176.53 2kcp n THR 59 N 5.28 0.00 -1.96 2.92 5.66 -1.26 -4.75 114.28 120.17 2kcp n THR 59 Ca -0.08 -1.90 -0.41 0.00 -3.05 0.00 0.00 64.05 58.60 2kcp n THR 59 Cb 0.49 1.15 -0.02 0.00 -1.55 0.00 0.00 70.33 70.40 2kcp n THR 59 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2kcp s ARG 60 N -2.88 4.24 0.00 1.09 3.52 -1.26 -2.87 118.95 120.78 2kcp s ARG 60 Ca 0.31 2.37 0.00 0.00 -0.13 0.00 0.00 55.73 58.28 2kcp s ARG 60 Cb -0.01 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.31 2kcp s ARG 60 CO 0.22 -0.45 0.00 0.41 -0.81 0.00 0.00 175.30 174.68 2kcp n GLY 61 N 1.90 3.45 3.83 8.12 0.00 -0.20 -5.03 105.19 117.27 2kcp n GLY 61 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.00 3.05 -0.23 4.61 0.00 -1.14 -4.77 121.76 120.28 2kcp s ALA 62 Ca 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 2kcp s ALA 62 Cb 0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 2kcp s ALA 62 CO 0.00 -0.14 -0.02 0.08 0.00 0.00 0.00 175.76 175.68 2kcp s VAL 63 N -2.48 3.54 -0.17 0.00 1.01 -1.26 -0.75 120.40 120.29 2kcp s VAL 63 Ca 0.60 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 2kcp s VAL 63 Cb -0.10 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2kcp s VAL 63 CO 0.26 0.37 0.07 0.68 0.00 0.00 0.00 175.10 176.48 2kcp s VAL 64 N 1.49 4.85 -0.68 2.92 -7.23 0.07 -3.36 120.40 118.47 2kcp s VAL 64 Ca 0.05 -0.01 -0.27 0.00 -1.81 0.00 0.00 61.98 59.93 2kcp s VAL 64 Cb -0.15 -3.17 0.03 0.00 0.56 0.00 0.00 36.38 33.65 2kcp s VAL 64 CO -0.02 0.48 1.26 -0.70 -0.31 0.00 0.00 175.10 175.81 2kcp s GLU 65 N 0.16 3.30 0.48 4.82 2.56 0.11 -0.60 118.70 129.53 2kcp s GLU 65 Ca 0.05 -0.04 0.08 0.00 0.00 0.00 0.00 54.97 55.07 2kcp s GLU 65 Cb -0.12 -4.12 0.04 0.00 2.00 0.00 0.00 34.13 31.92 2kcp s GLU 65 CO 0.00 -1.98 0.63 0.95 -0.56 0.00 0.00 175.26 174.30 2kcp s THR 66 N 5.50 2.64 0.51 -1.70 -4.23 0.53 0.32 115.64 119.21 2kcp s THR 66 Ca 0.39 -1.04 0.18 0.00 -1.18 0.00 0.00 61.69 60.04 2kcp s THR 66 Cb -0.08 -2.68 0.26 0.00 1.34 0.00 0.00 72.50 71.34 2kcp s THR 66 CO 0.19 0.00 2.12 -0.55 -0.54 0.00 0.00 174.62 175.84 2kcp h ASN 67 N 0.51 0.00 0.88 3.99 -1.07 -1.67 -1.62 115.58 116.60 2kcp h ASN 67 Ca -0.36 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 55.78 2kcp h ASN 67 Cb 1.28 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.51 2kcp h ASN 67 CO 0.45 0.05 -1.11 -0.07 0.07 0.00 0.00 177.43 176.82 2kcp h LEU 68 N 0.00 0.09 0.00 6.14 3.38 -1.95 -3.51 115.31 119.47 2kcp h LEU 68 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2kcp h LEU 68 Cb 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kcp h LEU 68 CO 0.01 1.08 0.00 0.61 0.09 0.00 0.00 178.44 180.23 2kcp n GLY 69 N 1.41 0.28 3.66 0.83 0.00 -0.61 -5.07 105.19 105.69 2kcp n GLY 69 Ca -0.03 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 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 7.05 -0.21 1.61 0.02 -1.23 -0.35 114.94 117.84 2kcp s ASN 70 Ca 0.00 1.32 -0.03 0.00 -1.02 0.00 0.00 52.86 53.13 2kcp s ASN 70 Cb 0.00 -2.52 -0.00 0.00 0.02 0.00 0.00 41.25 38.75 2kcp s ASN 70 CO 0.00 -0.64 -0.08 -0.69 0.02 0.00 0.00 177.10 175.71 2kcp s VAL 71 N 3.12 3.11 -0.33 1.60 1.01 0.23 -0.89 120.40 128.25 2kcp s VAL 71 Ca 0.42 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 2kcp s VAL 71 Cb -0.15 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.84 2kcp s VAL 71 CO 0.06 0.45 0.79 -0.60 0.00 0.00 0.00 175.10 175.81 2kcp s ARG 72 N 1.38 3.89 -0.32 2.72 3.52 -0.17 -0.75 118.95 129.22 2kcp s ARG 72 Ca 0.05 0.51 -0.28 0.00 -0.13 0.00 0.00 55.73 55.87 2kcp s ARG 72 Cb -0.14 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.47 2kcp s ARG 72 CO -0.05 -0.74 1.83 0.08 -0.81 0.00 0.00 175.30 175.61 2kcp s VAL 73 N 3.03 3.44 -0.14 7.11 1.01 0.07 -0.68 120.40 134.25 2kcp s VAL 73 Ca 0.32 0.44 -0.08 0.00 0.00 0.00 0.00 61.98 62.67 2kcp s VAL 73 Cb -0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2kcp s VAL 73 CO 0.14 -0.38 -0.10 0.71 0.00 0.00 0.00 175.10 175.47 2kcp h THR 74 N 6.83 0.08 -3.57 3.92 1.35 -1.59 -0.51 112.91 119.42 2kcp h THR 74 Ca -0.34 -1.09 -0.63 0.00 -0.55 0.00 0.00 66.41 63.80 2kcp h THR 74 Cb 1.17 0.17 -0.13 0.00 -1.73 0.00 0.00 68.15 67.64 2kcp h THR 74 CO 1.03 0.03 0.18 -0.44 -0.25 0.00 0.00 175.52 176.07 2kcp s SER 75 N -5.76 6.43 0.33 5.36 0.01 -0.99 -4.75 113.70 114.32 2kcp s SER 75 Ca -0.12 0.10 -0.28 0.00 1.31 0.00 0.00 55.95 56.96 2kcp s SER 75 Cb 0.02 -2.34 -0.13 0.00 0.21 0.00 0.00 66.02 63.78 2kcp s SER 75 CO 0.20 -0.65 1.22 -1.14 0.41 0.00 0.00 173.24 173.27 2kcp n ARG 76 N 6.16 1.94 -1.25 12.44 0.63 -1.26 -2.96 116.66 132.35 2kcp n ARG 76 Ca -0.00 0.68 -0.54 0.00 -0.92 0.00 0.00 57.85 57.07 2kcp n ARG 76 Cb 0.48 -2.21 -0.12 0.00 0.45 0.00 0.00 32.46 31.06 2kcp n ARG 76 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2kcp n PRO 77 N 0.61 0.00 0.00 -0.14 -0.01 -1.26 -3.36 135.00 130.84 2kcp n PRO 77 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.55 2kcp n PRO 77 Cb 0.35 -1.44 0.00 0.00 -0.01 0.00 0.00 33.50 32.40 2kcp n PRO 77 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2kcp n GLY 78 N 7.01 1.68 3.58 -1.23 0.00 -0.95 -4.95 105.19 110.33 2kcp n GLY 78 Ca 0.55 -0.15 -0.48 0.00 0.00 0.00 0.00 46.02 45.94 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 1.75 -1.30 1.61 1.13 -1.19 -0.58 117.38 118.80 2kcp n GLN 79 Ca 0.00 0.56 -0.10 0.00 -1.94 0.00 0.00 57.00 55.51 2kcp n GLN 79 Cb 0.00 -2.75 -0.04 0.00 0.11 0.00 0.00 30.24 27.56 2kcp n GLN 79 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2kcp n ASP 80 N 9.09 -5.44 -0.92 1.08 2.03 -1.26 -1.60 116.55 119.53 2kcp n ASP 80 Ca 0.31 0.26 -0.06 0.00 0.52 0.00 0.00 54.79 55.82 2kcp n ASP 80 Cb 0.31 -3.86 0.01 0.00 -0.72 0.00 0.00 41.12 36.86 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 -0.12 0.31 3.58 0.27 0.00 0.26 -5.05 105.19 104.44 2kcp n GLY 81 Ca -0.10 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.61 0.02 0.02 1.61 0.11 -0.63 -4.26 120.40 114.66 2kcp s VAL 82 Ca 0.06 -1.02 -0.07 0.00 -2.93 0.00 0.00 61.98 58.03 2kcp s VAL 82 Cb -0.03 -1.82 -0.05 0.00 -1.53 0.00 0.00 36.38 32.95 2kcp s VAL 82 CO 0.08 -0.08 0.28 -0.63 -3.33 0.00 0.00 175.10 171.42 2kcp s ILE 83 N -3.92 5.28 0.01 7.04 1.01 -1.26 -2.25 121.20 127.11 2kcp s ILE 83 Ca 0.13 0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.99 2kcp s ILE 83 Cb -0.01 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 2kcp s ILE 83 CO 0.02 0.35 -0.07 0.20 0.00 0.00 0.00 174.94 175.44 2kcp s ASN 84 N -1.72 0.80 0.29 3.58 0.01 -1.16 -0.50 114.94 116.23 2kcp s ASN 84 Ca 0.28 -0.22 -0.20 0.00 -0.71 0.00 0.00 52.86 52.01 2kcp s ASN 84 Cb -0.13 -0.06 0.05 0.00 0.41 0.00 0.00 41.25 41.53 2kcp s ASN 84 CO 0.16 0.01 0.86 -0.83 -1.51 0.00 0.00 177.10 175.79 2kcp s GLY 85 N -0.51 0.13 -0.03 0.66 0.00 -0.04 -1.46 107.32 106.08 2kcp s GLY 85 Ca -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 44.72 44.23 2kcp s GLY 85 CO -0.00 0.39 0.20 0.14 0.00 0.00 0.00 173.10 173.83 2kcp s VAL 86 N -2.74 5.41 -0.56 1.40 1.01 0.15 0.44 120.40 125.51 2kcp s VAL 86 Ca 0.16 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 2kcp s VAL 86 Cb -0.04 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.84 2kcp s VAL 86 CO 0.08 0.39 1.21 -0.22 0.00 0.00 0.00 175.10 176.56 2kcp s LEU 87 N -1.71 3.47 0.00 3.92 2.96 -0.33 -1.00 118.68 125.99 2kcp s LEU 87 Ca 0.25 0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 2kcp s LEU 87 Cb -0.13 -3.22 -0.01 0.00 0.50 0.00 0.00 46.19 43.34 2kcp s LEU 87 CO 0.15 -1.47 0.10 2.30 -1.32 0.00 0.00 176.35 176.10 2kcp n ILE 88 N 6.72 0.00 -3.68 6.68 -5.35 -0.07 -4.45 119.36 119.21 2kcp n ILE 88 Ca 0.09 -2.41 -0.29 0.00 -0.27 0.00 0.00 62.75 59.87 2kcp n ILE 88 Cb 0.49 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 -3.67 1.45 -0.01 6.28 1.81 -1.26 -3.47 118.95 120.07 2kcp s ARG 89 Ca 0.14 -2.30 -0.06 0.00 -1.72 0.00 0.00 55.73 51.78 2kcp s ARG 89 Cb 0.01 -2.35 -0.29 0.00 -0.45 0.00 0.00 34.95 31.86 2kcp s ARG 89 CO 0.10 -1.24 0.81 0.93 -0.68 0.00 0.00 175.30 175.22 2kcp h GLU 90 N 6.21 0.30 -6.13 3.54 4.39 -2.00 -3.47 114.58 117.42 2kcp h GLU 90 Ca 0.09 -0.52 -0.55 0.00 0.34 0.00 0.00 59.36 58.71 2kcp h GLU 90 Cb 0.89 0.19 -0.21 0.00 -0.10 0.00 0.00 28.75 29.52 2kcp h GLU 90 CO 0.51 1.18 -0.82 -0.51 -1.16 0.00 0.00 179.01 178.21 2kcp s LEU 91 N -7.09 2.33 -1.36 1.33 1.43 -1.26 -5.04 118.68 109.02 2kcp s LEU 91 Ca -0.11 -0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 52.17 2kcp s LEU 91 Cb 0.06 -0.88 -0.11 0.00 0.03 0.00 0.00 46.19 45.29 2kcp s LEU 91 CO 0.86 0.04 2.95 1.21 0.23 0.00 0.00 176.35 181.64 2kcp n GLU 92 N 0.89 3.33 -0.83 1.70 2.13 -1.26 -4.44 120.64 122.16 2kcp n GLU 92 Ca -0.18 -1.97 0.00 0.00 0.66 0.00 0.00 57.16 55.67 2kcp n GLU 92 Cb 0.54 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.59 2kcp n GLU 92 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2kcp n HIS 93 N 3.51 0.00 -1.61 4.31 8.25 -1.26 -4.86 115.22 123.55 2kcp n HIS 93 Ca 0.71 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.76 2kcp n HIS 93 Cb 0.30 -1.79 -0.01 0.00 1.12 0.00 0.00 29.99 29.61 2kcp n HIS 93 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kcp n HIS 94 N -1.83 3.23 -1.67 4.41 -0.00 -1.26 -4.94 115.22 113.15 2kcp n HIS 94 Ca 0.00 -2.94 -0.47 0.00 -0.00 0.00 0.00 57.72 54.31 2kcp n HIS 94 Cb 0.37 -2.50 -0.04 0.00 -0.00 0.00 0.00 29.99 27.81 2kcp n HIS 94 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kcp n HIS 95 N 5.67 2.28 -1.99 1.57 1.44 -1.26 -4.92 115.22 118.00 2kcp n HIS 95 Ca 0.57 0.15 -0.41 0.00 -2.01 0.00 0.00 57.72 56.02 2kcp n HIS 95 Cb 0.36 -2.59 -0.01 0.00 0.12 0.00 0.00 29.99 27.86 2kcp n HIS 95 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kcp s HIS 96 N 2.39 2.89 -0.02 -1.40 3.76 -1.26 -5.02 115.29 116.62 2kcp s HIS 96 Ca 0.86 1.27 0.01 0.00 -0.15 0.00 0.00 55.06 57.05 2kcp s HIS 96 Cb -0.70 -3.82 0.01 0.00 1.11 0.00 0.00 32.58 29.19 2kcp s HIS 96 CO 0.45 -2.36 -0.03 -1.58 -0.85 0.00 0.00 174.74 170.37 2kcp s HIS 97 N -0.97 0.45 -2.00 1.40 5.04 -1.26 -4.97 115.29 112.97 2kcp s HIS 97 Ca 0.52 -0.08 0.18 0.00 -1.54 0.00 0.00 55.06 54.14 2kcp s HIS 97 Cb -0.42 -0.40 1.08 0.00 0.04 0.00 0.00 32.58 32.87 2kcp s HIS 97 CO 0.55 -0.09 1.47 1.58 -2.34 0.00 0.00 174.74 175.91