#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk1 n GLY 2 N 0.00 0.35 0.30 3.03 0.00 -1.26 -4.96 105.19 102.65 2kk1 n GLY 2 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.01 2kk1 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kk1 n HIS 3 N 0.00 0.06 0.17 1.61 -0.00 -1.26 -4.73 115.22 111.07 2kk1 n HIS 3 Ca 0.00 -1.18 0.05 0.00 -0.00 0.00 0.00 57.72 56.60 2kk1 n HIS 3 Cb 0.00 -0.20 0.51 0.00 -0.00 0.00 0.00 29.99 30.31 2kk1 n HIS 3 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kk1 h HIS 4 N 0.42 0.16 0.00 4.41 3.86 -2.06 -3.46 115.15 118.49 2kk1 h HIS 4 Ca 0.01 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kk1 h HIS 4 Cb 1.03 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.45 2kk1 h HIS 4 CO 0.30 0.19 0.00 0.72 0.86 0.00 0.00 177.93 179.99 2kk1 n HIS 5 N -4.42 0.00 -0.61 2.45 -0.00 -1.26 -4.87 115.22 106.51 2kk1 n HIS 5 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.41 2kk1 n HIS 5 Cb 0.15 0.00 0.22 0.00 -0.00 0.00 0.00 29.99 30.36 2kk1 n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk1 s HIS 6 N 0.00 1.46 0.00 4.41 2.46 -1.26 -2.88 115.29 119.47 2kk1 s HIS 6 Ca 0.00 1.43 0.00 0.00 0.47 0.00 0.00 55.06 56.96 2kk1 s HIS 6 Cb 0.00 -3.19 0.00 0.00 -0.13 0.00 0.00 32.58 29.26 2kk1 s HIS 6 CO 0.00 -3.46 0.00 0.72 -2.47 0.00 0.00 174.74 169.53 2kk1 n HIS 7 N -4.65 0.00 -2.51 3.88 8.25 -1.26 -4.98 115.22 113.95 2kk1 n HIS 7 Ca 0.06 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.28 2kk1 n HIS 7 Cb 0.53 -0.05 0.13 0.00 1.12 0.00 0.00 29.99 31.72 2kk1 n HIS 7 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kk1 s HIS 8 N -0.87 1.43 0.07 4.41 4.02 -1.14 -5.13 115.29 118.09 2kk1 s HIS 8 Ca 0.00 -0.25 0.09 0.00 1.02 0.00 0.00 55.06 55.93 2kk1 s HIS 8 Cb 0.00 -3.15 -0.03 0.00 -1.02 0.00 0.00 32.58 28.38 2kk1 s HIS 8 CO 0.00 -1.91 -0.24 -1.54 1.02 0.00 0.00 174.74 172.07 2kk1 s SER 9 N -4.79 3.41 -0.26 1.40 1.04 -1.26 -5.11 113.70 108.13 2kk1 s SER 9 Ca 0.68 -0.59 -0.05 0.00 0.48 0.00 0.00 55.95 56.47 2kk1 s SER 9 Cb -0.04 -0.37 0.14 0.00 0.10 0.00 0.00 66.02 65.85 2kk1 s SER 9 CO 0.46 0.23 0.51 -1.38 0.98 0.00 0.00 173.24 174.04 2kk1 s HIS 10 N -0.93 -1.16 0.56 5.02 0.00 -1.26 -5.17 115.29 112.35 2kk1 s HIS 10 Ca 0.13 1.59 -0.07 0.00 -3.00 0.00 0.00 55.06 53.71 2kk1 s HIS 10 Cb -0.10 0.42 -0.03 0.00 -4.00 0.00 0.00 32.58 28.88 2kk1 s HIS 10 CO 0.04 -0.70 0.90 -1.64 -1.00 0.00 0.00 174.74 172.35 2kk1 s MET 11 N 2.73 3.40 0.66 -0.38 1.00 -1.26 -5.08 119.30 120.37 2kk1 s MET 11 Ca 0.07 0.34 -0.12 0.00 0.00 0.00 0.00 55.69 55.98 2kk1 s MET 11 Cb -0.14 -2.25 -0.01 0.00 0.00 0.00 0.00 34.83 32.44 2kk1 s MET 11 CO -0.17 -0.46 1.06 0.00 0.00 0.00 0.00 175.02 175.44 2kk1 s ALA 12 N -2.96 2.71 -0.86 3.03 0.00 -1.26 -4.92 121.76 117.50 2kk1 s ALA 12 Ca 0.52 0.17 -0.25 0.00 0.00 0.00 0.00 51.96 52.39 2kk1 s ALA 12 Cb -0.11 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 2kk1 s ALA 12 CO 0.48 -1.09 2.05 -0.80 0.00 0.00 0.00 175.76 176.40 2kk1 s ASN 13 N -3.52 4.86 0.19 0.00 0.01 -1.26 -4.88 114.94 110.35 2kk1 s ASN 13 Ca 0.59 -0.46 -0.08 0.00 -0.71 0.00 0.00 52.86 52.21 2kk1 s ASN 13 Cb -0.14 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 38.94 2kk1 s ASN 13 CO 0.50 -2.98 0.28 -0.83 -1.51 0.00 0.00 177.10 172.55 2kk1 s GLY 14 N 8.70 0.74 0.11 0.66 0.00 -1.26 -5.19 107.32 111.08 2kk1 s GLY 14 Ca 0.75 -1.11 -0.25 0.00 0.00 0.00 0.00 44.72 44.11 2kk1 s GLY 14 CO 0.02 -0.95 0.76 0.00 0.00 0.00 0.00 173.10 172.93 2kk1 s ALA 15 N -4.03 -1.65 -0.54 3.20 0.00 -1.26 -5.12 121.76 112.35 2kk1 s ALA 15 Ca 0.24 0.58 -0.28 0.00 0.00 0.00 0.00 51.96 52.49 2kk1 s ALA 15 Cb 0.03 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.87 2kk1 s ALA 15 CO 0.05 -0.79 1.16 0.00 0.00 0.00 0.00 175.76 176.18 2kk1 s ALA 16 N -3.48 3.06 -1.54 0.00 0.00 -1.26 -4.90 121.76 113.64 2kk1 s ALA 16 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2kk1 s ALA 16 Cb -0.02 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.13 2kk1 s ALA 16 CO -0.08 -2.51 0.76 0.41 0.00 0.00 0.00 175.76 174.34 2kk1 n GLY 17 N 5.00 0.16 0.34 0.00 0.00 -1.26 -4.29 105.19 105.14 2kk1 n GLY 17 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2kk1 n GLY 17 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kk1 h THR 18 N 0.00 0.29 -0.07 2.61 2.02 -2.00 0.10 112.91 115.86 2kk1 h THR 18 Ca 0.00 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.02 2kk1 h THR 18 Cb 0.23 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2kk1 h THR 18 CO 0.00 0.00 -0.65 0.07 0.37 0.00 0.00 175.52 175.31 2kk1 h LYS 19 N -0.50 0.27 0.00 6.66 2.10 -2.03 -3.10 116.57 119.97 2kk1 h LYS 19 Ca 0.05 -0.20 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 2kk1 h LYS 19 Cb 0.57 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 2kk1 h LYS 19 CO -0.26 0.82 0.00 0.28 -2.00 0.00 0.00 179.45 178.30 2kk1 n VAL 20 N -3.85 0.65 0.32 0.07 0.31 -1.03 -3.01 118.33 111.80 2kk1 n VAL 20 Ca -0.03 -0.02 0.20 0.00 -0.01 0.00 0.00 64.34 64.49 2kk1 n VAL 20 Cb 0.65 -0.83 1.09 0.00 -0.91 0.00 0.00 33.84 33.84 2kk1 n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kk1 h ALA 21 N 2.47 1.09 0.00 3.52 0.00 -0.90 -1.01 119.26 124.43 2kk1 h ALA 21 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2kk1 h ALA 21 Cb 0.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kk1 h ALA 21 CO 0.00 0.01 -0.24 -0.07 0.00 0.00 0.00 179.25 178.95 2kk1 h LEU 22 N 0.00 0.00 0.00 0.00 3.38 -1.75 -3.47 115.31 113.47 2kk1 h LEU 22 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kk1 h LEU 22 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2kk1 h LEU 22 CO 0.00 0.24 0.00 0.54 0.09 0.00 0.00 178.44 179.31 2kk1 n ARG 23 N -3.25 0.00 0.21 1.13 3.00 -0.39 -4.84 116.66 112.53 2kk1 n ARG 23 Ca 0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.85 57.77 2kk1 n ARG 23 Cb 0.53 -3.37 -0.04 0.00 0.00 0.00 0.00 32.46 29.59 2kk1 n ARG 23 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2kk1 h LYS 24 N 0.59 -0.52 -5.54 5.56 1.57 -1.90 -3.39 116.57 112.94 2kk1 h LYS 24 Ca 0.00 0.04 -0.64 0.00 -1.87 0.00 0.00 60.65 58.17 2kk1 h LYS 24 Cb 0.00 0.12 -0.14 0.00 0.08 0.00 0.00 32.23 32.28 2kk1 h LYS 24 CO 0.00 -0.34 0.25 0.95 -0.57 0.00 0.00 179.45 179.74 2kk1 s THR 25 N -4.15 4.72 0.24 -0.16 -4.23 -1.26 -5.04 115.64 105.76 2kk1 s THR 25 Ca -0.08 0.17 -0.30 0.00 -1.18 0.00 0.00 61.69 60.31 2kk1 s THR 25 Cb 0.01 -4.30 -0.09 0.00 1.34 0.00 0.00 72.50 69.46 2kk1 s THR 25 CO 0.23 -0.72 1.15 -0.54 -0.54 0.00 0.00 174.62 174.20 2kk1 s LYS 26 N 3.10 4.56 -0.15 3.99 1.02 -1.26 -4.91 119.74 126.08 2kk1 s LYS 26 Ca 0.25 1.85 -0.11 0.00 0.02 0.00 0.00 55.97 57.98 2kk1 s LYS 26 Cb -0.14 -3.21 -0.06 0.00 -0.52 0.00 0.00 37.83 33.91 2kk1 s LYS 26 CO 0.20 0.06 -0.12 0.00 -0.92 0.00 0.00 175.35 174.56 2kk1 n GLN 27 N 1.77 0.47 -3.57 1.68 10.64 -1.26 -5.05 117.38 122.06 2kk1 n GLN 27 Ca 0.01 0.53 -0.15 0.00 -1.83 0.00 0.00 57.00 55.57 2kk1 n GLN 27 Cb 0.45 -1.70 -0.06 0.00 -0.86 0.00 0.00 30.24 28.07 2kk1 n GLN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kk1 s ALA 28 N -2.67 -1.83 0.52 2.61 0.00 -1.26 -5.03 121.76 114.10 2kk1 s ALA 28 Ca -0.18 1.61 0.24 0.00 0.00 0.00 0.00 51.96 53.63 2kk1 s ALA 28 Cb 0.03 -0.59 1.28 0.00 0.00 0.00 0.00 23.12 23.84 2kk1 s ALA 28 CO 0.29 -0.34 1.70 0.00 0.00 0.00 0.00 175.76 177.41 2kk1 h ALA 29 N 3.55 1.36 -0.90 0.00 0.00 -1.97 0.33 119.26 121.63 2kk1 h ALA 29 Ca -0.26 0.00 0.18 0.00 0.00 0.00 0.00 54.91 54.83 2kk1 h ALA 29 Cb 1.15 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 2kk1 h ALA 29 CO 0.26 -0.36 0.59 0.93 0.00 0.00 0.00 179.25 180.67 2kk1 h GLU 30 N 0.00 0.54 0.00 0.00 4.39 -2.04 -3.23 114.58 114.24 2kk1 h GLU 30 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2kk1 h GLU 30 Cb 0.76 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2kk1 h GLU 30 CO 0.00 0.36 -0.18 1.17 -1.16 0.00 0.00 179.01 179.19 2kk1 n LYS 31 N -4.56 3.93 -1.73 2.33 4.81 -0.04 -4.98 118.16 117.91 2kk1 n LYS 31 Ca 0.19 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.45 2kk1 n LYS 31 Cb 0.59 -0.47 -0.06 0.00 0.02 0.00 0.00 35.03 35.11 2kk1 n LYS 31 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2kk1 s ILE 32 N -0.85 3.16 0.37 3.15 1.01 -0.34 -4.76 121.20 122.94 2kk1 s ILE 32 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.58 2kk1 s ILE 32 Cb 0.00 -3.36 0.30 0.00 0.01 0.00 0.00 42.46 39.40 2kk1 s ILE 32 CO 0.00 -0.34 1.96 0.28 0.00 0.00 0.00 174.94 176.84 2kk1 h SER 33 N 12.19 0.64 -1.02 3.58 0.02 -1.91 -2.58 113.55 124.46 2kk1 h SER 33 Ca 0.04 0.01 0.25 0.00 -0.84 0.00 0.00 61.79 61.25 2kk1 h SER 33 Cb 1.00 -0.13 -0.09 0.00 0.14 0.00 0.00 62.40 63.32 2kk1 h SER 33 CO 1.08 0.41 0.66 0.00 -1.14 0.00 0.00 176.83 177.83 2kk1 h ALA 34 N 1.62 2.17 0.00 3.77 0.00 -1.86 0.23 119.26 125.19 2kk1 h ALA 34 Ca 0.31 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 2kk1 h ALA 34 Cb 0.29 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kk1 h ALA 34 CO -0.10 -0.57 -1.21 -3.47 0.00 0.00 0.00 179.25 173.90 2kk1 n ASP 35 N -4.64 0.71 0.22 0.00 2.03 -0.99 -3.81 116.55 110.07 2kk1 n ASP 35 Ca 0.25 0.28 0.12 0.00 0.52 0.00 0.00 54.79 55.96 2kk1 n ASP 35 Cb 0.84 0.68 0.25 0.00 -0.72 0.00 0.00 41.12 42.17 2kk1 n ASP 35 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2kk1 h LYS 36 N 0.00 0.00 -5.39 -0.67 3.11 -0.48 -3.42 116.57 109.72 2kk1 h LYS 36 Ca -0.02 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.75 2kk1 h LYS 36 Cb 1.06 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.27 2kk1 h LYS 36 CO 0.00 0.03 0.20 0.42 -2.81 0.00 0.00 179.45 177.30 2kk1 s ILE 37 N -3.27 3.12 0.26 2.00 -1.09 0.36 -4.93 121.20 117.66 2kk1 s ILE 37 Ca 0.06 -0.12 -0.30 0.00 -2.23 0.00 0.00 60.65 58.06 2kk1 s ILE 37 Cb 0.06 -3.43 -0.10 0.00 -1.58 0.00 0.00 42.46 37.41 2kk1 s ILE 37 CO 0.65 -0.24 1.33 -0.44 -1.23 0.00 0.00 174.94 175.01 2kk1 s SER 38 N 9.77 6.81 0.19 3.58 0.01 -1.26 -4.89 113.70 127.91 2kk1 s SER 38 Ca 0.85 2.57 -0.19 0.00 1.31 0.00 0.00 55.95 60.49 2kk1 s SER 38 Cb -0.10 -2.63 0.14 0.00 0.21 0.00 0.00 66.02 63.65 2kk1 s SER 38 CO 0.08 -0.55 1.61 0.50 0.41 0.00 0.00 173.24 175.29 2kk1 h LYS 39 N 4.46 -0.13 -0.54 12.44 3.64 -1.98 0.25 116.57 134.72 2kk1 h LYS 39 Ca -0.47 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.01 2kk1 h LYS 39 Cb 1.22 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 33.00 2kk1 h LYS 39 CO 0.72 -0.08 0.14 1.05 -2.27 0.00 0.00 179.45 179.01 2kk1 h GLU 40 N -0.13 0.28 -0.83 1.90 4.11 -1.99 -1.47 114.58 116.45 2kk1 h GLU 40 Ca 0.24 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.67 2kk1 h GLU 40 Cb 0.51 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2kk1 h GLU 40 CO -0.62 0.19 0.55 0.00 0.07 0.00 0.00 179.01 179.20 2kk1 h ALA 41 N 1.40 1.43 -0.37 1.06 0.00 -1.39 0.44 119.26 121.83 2kk1 h ALA 41 Ca 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2kk1 h ALA 41 Cb 0.35 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2kk1 h ALA 41 CO -0.32 0.52 0.14 1.25 0.00 0.00 0.00 179.25 180.83 2kk1 h LEU 42 N 1.10 0.52 -0.53 0.00 6.46 -0.49 -1.99 115.31 120.39 2kk1 h LEU 42 Ca 0.31 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2kk1 h LEU 42 Cb -0.09 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.68 2kk1 h LEU 42 CO -0.07 0.57 0.32 -0.07 -0.62 0.00 0.00 178.44 178.56 2kk1 h LEU 43 N 0.45 0.64 -0.35 2.25 3.38 -0.42 -0.73 115.31 120.53 2kk1 h LEU 43 Ca 0.12 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2kk1 h LEU 43 Cb 0.21 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2kk1 h LEU 43 CO -0.01 0.52 0.13 -0.33 0.09 0.00 0.00 178.44 178.84 2kk1 h GLU 44 N 0.71 0.28 -0.20 1.13 4.39 -0.82 0.12 114.58 120.19 2kk1 h GLU 44 Ca 0.19 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 2kk1 h GLU 44 Cb -0.00 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2kk1 h GLU 44 CO -0.03 0.18 0.07 0.00 -1.16 0.00 0.00 179.01 178.07 2kk1 h ALA 46 N 0.90 1.05 -0.56 0.00 0.00 -0.92 -2.04 119.26 117.69 2kk1 h ALA 46 Ca 0.07 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2kk1 h ALA 46 Cb 0.21 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2kk1 h ALA 46 CO -0.00 0.42 0.38 0.22 0.00 0.00 0.00 179.25 180.26 2kk1 h ASP 47 N 1.08 0.33 -0.94 0.00 3.58 -0.88 -1.64 116.42 117.96 2kk1 h ASP 47 Ca 0.31 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.84 2kk1 h ASP 47 Cb -0.09 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 40.83 2kk1 h ASP 47 CO -0.08 0.20 0.59 -0.07 -2.88 0.00 0.00 179.24 177.00 2kk1 h LEU 48 N 0.37 0.92 -0.24 2.28 3.38 -1.18 -0.10 115.31 120.73 2kk1 h LEU 48 Ca 0.26 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 2kk1 h LEU 48 Cb 0.53 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2kk1 h LEU 48 CO -0.07 0.56 -0.16 -0.07 0.09 0.00 0.00 178.44 178.80 2kk1 h LEU 49 N 1.04 0.56 -0.76 1.67 4.07 -1.37 0.29 115.31 120.81 2kk1 h LEU 49 Ca 0.42 -0.44 0.04 0.00 0.08 0.00 0.00 57.88 57.99 2kk1 h LEU 49 Cb 0.24 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.77 2kk1 h LEU 49 CO -0.20 0.88 0.47 -1.28 -1.08 0.00 0.00 178.44 177.23 2kk1 h SER 50 N 0.25 0.76 -0.28 -0.43 0.87 -1.35 0.42 113.55 113.78 2kk1 h SER 50 Ca 0.05 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.55 2kk1 h SER 50 Cb 0.68 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2kk1 h SER 50 CO 0.04 0.51 -0.06 -1.28 -0.53 0.00 0.00 176.83 175.51 2kk1 h SER 51 N 0.90 0.54 -0.56 6.23 0.87 -0.90 -3.29 113.55 117.35 2kk1 h SER 51 Ca 0.31 -0.36 -0.11 0.00 -1.23 0.00 0.00 61.79 60.40 2kk1 h SER 51 Cb 0.07 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2kk1 h SER 51 CO -0.13 0.78 -0.10 0.00 -0.53 0.00 0.00 176.83 176.85 2kk1 h ALA 52 N 0.78 0.76 0.00 6.23 0.00 -0.02 -2.89 119.26 124.12 2kk1 h ALA 52 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kk1 h ALA 52 Cb 0.54 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kk1 h ALA 52 CO 0.03 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.23 2kk1 n LEU 53 N -4.15 0.30 -1.01 0.00 4.77 0.10 -1.69 117.00 115.32 2kk1 n LEU 53 Ca 0.02 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.69 2kk1 n LEU 53 Cb 0.40 -0.55 0.15 0.00 -2.33 0.00 0.00 43.42 41.08 2kk1 n LEU 53 CO 0.45 -0.44 0.65 0.35 -1.33 0.00 0.00 177.39 177.08 2kk1 n THR 54 N -1.84 0.22 -4.27 -5.08 -2.24 -1.09 -4.67 114.28 95.31 2kk1 n THR 54 Ca 0.02 -0.61 -0.15 0.00 -2.27 0.00 0.00 64.05 61.04 2kk1 n THR 54 Cb 0.17 1.26 -0.10 0.00 -2.10 0.00 0.00 70.33 69.56 2kk1 n THR 54 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2kk1 s GLU 55 N -1.72 1.13 -0.10 -0.78 -1.05 -0.68 -5.12 118.70 110.38 2kk1 s GLU 55 Ca 0.32 -1.49 -0.30 0.00 -0.15 0.00 0.00 54.97 53.35 2kk1 s GLU 55 Cb 0.21 -0.73 -0.04 0.00 -0.44 0.00 0.00 34.13 33.12 2kk1 s GLU 55 CO 0.30 0.09 1.45 -1.25 0.95 0.00 0.00 175.26 176.80 2kk1 s PRO 56 N -3.73 4.21 0.03 -4.83 0.04 -1.26 -4.68 135.00 124.79 2kk1 s PRO 56 Ca 0.18 1.92 -0.05 0.00 0.04 0.00 0.00 61.00 63.09 2kk1 s PRO 56 Cb 0.02 -3.85 -0.01 0.00 0.04 0.00 0.00 34.50 30.70 2kk1 s PRO 56 CO 0.02 -0.76 0.08 0.14 0.04 0.00 0.00 177.00 176.53 2kk1 s VAL 57 N 3.64 0.13 0.37 -0.36 -7.23 -1.26 -5.01 120.40 110.67 2kk1 s VAL 57 Ca 0.64 -1.03 -0.27 0.00 -1.81 0.00 0.00 61.98 59.51 2kk1 s VAL 57 Cb -0.28 -0.76 -0.09 0.00 0.56 0.00 0.00 36.38 35.81 2kk1 s VAL 57 CO 0.22 -0.57 1.18 -2.16 -0.31 0.00 0.00 175.10 173.46 2kk1 s PRO 58 N -2.31 4.22 0.39 4.82 0.04 -1.26 -4.05 135.00 136.84 2kk1 s PRO 58 Ca -0.08 1.89 0.13 0.00 0.04 0.00 0.00 61.00 62.99 2kk1 s PRO 58 Cb -0.03 -2.84 0.96 0.00 0.04 0.00 0.00 34.50 32.63 2kk1 s PRO 58 CO -0.03 -0.20 1.87 -0.97 0.04 0.00 0.00 177.00 177.71 2kk1 h ASN 59 N 2.98 0.52 -0.05 6.66 -0.73 -1.36 -1.24 115.58 122.36 2kk1 h ASN 59 Ca -0.48 0.04 0.04 0.00 1.87 0.00 0.00 56.30 57.76 2kk1 h ASN 59 Cb 1.23 -0.06 -0.05 0.00 0.27 0.00 0.00 38.32 39.71 2kk1 h ASN 59 CO 0.64 0.24 -0.27 0.77 -0.37 0.00 0.00 177.43 178.44 2kk1 h SER 60 N 0.54 -0.82 -0.93 1.15 4.64 -1.92 -0.87 113.55 115.34 2kk1 h SER 60 Ca 0.45 0.12 0.07 0.00 -0.47 0.00 0.00 61.79 61.95 2kk1 h SER 60 Cb 0.91 0.34 -0.06 0.00 -0.31 0.00 0.00 62.40 63.28 2kk1 h SER 60 CO -0.19 -0.33 0.61 -0.61 -0.87 0.00 0.00 176.83 175.44 2kk1 h GLN 61 N -0.38 1.04 0.68 4.77 4.15 -1.62 0.10 115.11 123.84 2kk1 h GLN 61 Ca 0.08 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 2kk1 h GLN 61 Cb 0.49 -0.23 0.01 0.00 0.21 0.00 0.00 27.48 27.96 2kk1 h GLN 61 CO -0.27 0.69 -0.32 -0.07 -1.93 0.00 0.00 178.83 176.92 2kk1 h LEU 62 N 1.07 -0.77 -0.82 -2.39 3.38 -0.93 -0.79 115.31 114.06 2kk1 h LEU 62 Ca 0.40 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.28 2kk1 h LEU 62 Cb 0.19 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2kk1 h LEU 62 CO -0.15 -0.46 -0.07 0.58 0.09 0.00 0.00 178.44 178.42 2kk1 h VAL 63 N -1.05 1.25 0.34 1.22 2.07 -1.05 -0.52 116.25 118.52 2kk1 h VAL 63 Ca -0.09 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 2kk1 h VAL 63 Cb 0.73 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2kk1 h VAL 63 CO 0.15 0.39 -0.16 -0.78 0.02 0.00 0.00 177.57 177.19 2kk1 h ASP 64 N 0.74 -0.38 -0.51 0.57 3.58 -0.82 -1.28 116.42 118.33 2kk1 h ASP 64 Ca 0.13 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2kk1 h ASP 64 Cb 0.55 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.68 2kk1 h ASP 64 CO 0.03 -0.23 0.28 0.74 -2.88 0.00 0.00 179.24 177.18 2kk1 h THR 65 N -0.50 1.17 -0.21 2.25 2.02 -1.04 0.04 112.91 116.64 2kk1 h THR 65 Ca -0.05 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 2kk1 h THR 65 Cb 0.38 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2kk1 h THR 65 CO 0.08 0.19 0.13 1.23 0.37 0.00 0.00 175.52 177.51 2kk1 h GLY 66 N 0.82 0.29 1.14 2.16 0.00 -0.84 -2.70 103.07 103.94 2kk1 h GLY 66 Ca 0.19 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 2kk1 h GLY 66 CO -0.03 0.11 -0.10 0.45 0.00 0.00 0.00 176.54 176.97 2kk1 h HIS 67 N 0.28 1.12 -0.06 5.60 -0.00 0.23 -1.31 115.15 121.01 2kk1 h HIS 67 Ca 0.08 -0.22 -0.09 0.00 -0.00 0.00 0.00 60.37 60.13 2kk1 h HIS 67 Cb -0.02 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.10 2kk1 h HIS 67 CO 0.00 1.03 -0.37 -0.56 -0.00 0.00 0.00 177.93 178.04 2kk1 h GLN 68 N 0.90 0.12 -0.60 2.45 3.07 -1.30 -0.81 115.11 118.94 2kk1 h GLN 68 Ca 0.14 -0.05 -0.06 0.00 0.09 0.00 0.00 58.65 58.77 2kk1 h GLN 68 Cb 0.66 -0.01 -0.03 0.00 0.08 0.00 0.00 27.48 28.18 2kk1 h GLN 68 CO 0.05 0.48 0.14 -0.07 0.09 0.00 0.00 178.83 179.52 2kk1 h LEU 69 N 0.11 0.88 -0.81 0.06 -0.00 -1.17 -0.50 115.31 113.88 2kk1 h LEU 69 Ca 0.01 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.88 57.68 2kk1 h LEU 69 Cb 0.71 -0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 41.10 2kk1 h LEU 69 CO 0.05 0.86 0.35 -0.07 -0.00 0.00 0.00 178.44 179.63 2kk1 h LEU 70 N 0.90 1.09 0.55 1.67 -0.00 -0.52 0.21 115.31 119.21 2kk1 h LEU 70 Ca 0.19 -0.16 -0.03 0.00 -0.00 0.00 0.00 57.88 57.89 2kk1 h LEU 70 Cb 0.32 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 2kk1 h LEU 70 CO -0.00 0.94 -0.28 -0.78 -0.00 0.00 0.00 178.44 178.32 2kk1 h ASP 71 N 1.16 -0.67 0.05 -0.43 3.58 -0.70 0.16 116.42 119.58 2kk1 h ASP 71 Ca 0.27 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.76 2kk1 h ASP 71 Cb 0.18 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2kk1 h ASP 71 CO -0.03 -0.47 -0.08 1.88 -2.88 0.00 0.00 179.24 177.67 2kk1 h TYR 72 N -0.76 -0.20 0.04 0.28 -1.99 -1.05 -2.45 116.97 110.84 2kk1 h TYR 72 Ca -0.07 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 2kk1 h TYR 72 Cb 0.59 0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.41 2kk1 h TYR 72 CO -0.05 -0.13 -0.02 0.00 -0.00 0.00 0.00 178.16 177.97 2kk1 h SER 74 N -0.33 0.00 0.00 0.00 0.87 -0.72 -1.92 113.55 111.45 2kk1 h SER 74 Ca -0.01 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.42 2kk1 h SER 74 Cb 0.30 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2kk1 h SER 74 CO 0.01 0.08 -0.71 1.23 -0.53 0.00 0.00 176.83 176.92 2kk1 h GLY 75 N 0.33 0.00 1.94 5.77 0.00 -1.33 -3.39 103.07 106.41 2kk1 h GLY 75 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2kk1 h GLY 75 CO 0.01 0.01 0.00 -1.82 0.00 0.00 0.00 176.54 174.74 2kk1 h TYR 76 N -0.99 0.08 -0.47 5.60 3.20 -0.59 -2.16 116.97 121.64 2kk1 h TYR 76 Ca -0.19 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.74 2kk1 h TYR 76 Cb 1.18 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 2kk1 h TYR 76 CO 0.18 0.08 0.32 -0.24 -1.64 0.00 0.00 178.16 176.86 2kk1 h VAL 77 N 0.08 0.95 0.00 1.81 3.04 -1.54 0.96 116.25 121.55 2kk1 h VAL 77 Ca 0.02 -0.12 -0.04 0.00 -1.01 0.00 0.00 66.70 65.55 2kk1 h VAL 77 Cb 0.06 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 2kk1 h VAL 77 CO 0.00 0.06 -0.19 -0.78 -1.01 0.00 0.00 177.57 175.66 2kk1 h ASP 78 N 0.35 0.00 -0.02 3.17 3.58 -1.60 -3.03 116.42 118.88 2kk1 h ASP 78 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2kk1 h ASP 78 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2kk1 h ASP 78 CO -0.05 0.19 -0.38 0.00 -2.88 0.00 0.00 179.24 176.11 2kk1 s ILE 80 N -2.38 3.68 -0.13 0.00 1.01 -0.68 -4.92 121.20 117.77 2kk1 s ILE 80 Ca 0.20 0.94 0.21 0.00 0.00 0.00 0.00 60.65 62.00 2kk1 s ILE 80 Cb 0.18 -3.60 0.20 0.00 0.01 0.00 0.00 42.46 39.25 2kk1 s ILE 80 CO 0.52 -0.05 1.63 1.55 0.00 0.00 0.00 174.94 178.59 2kk1 h PRO 81 N 8.67 0.00 -4.96 2.79 0.13 -1.92 -3.44 132.00 133.27 2kk1 h PRO 81 Ca -0.37 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.11 2kk1 h PRO 81 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 2kk1 h PRO 81 CO 0.94 0.27 -0.60 -0.65 -0.23 0.00 0.00 178.00 177.73 2kk1 s GLN 82 N -3.26 3.74 0.24 0.86 -0.21 -1.26 -4.99 119.66 114.79 2kk1 s GLN 82 Ca 0.04 -0.43 -0.04 0.00 0.02 0.00 0.00 55.36 54.95 2kk1 s GLN 82 Cb 0.08 -3.40 0.27 0.00 1.00 0.00 0.00 33.01 30.96 2kk1 s GLN 82 CO 0.68 -0.16 1.73 1.15 -2.12 0.00 0.00 175.29 176.58 2kk1 h THR 83 N 5.46 1.25 -0.29 -0.19 2.02 -1.98 0.92 112.91 120.10 2kk1 h THR 83 Ca -0.37 -1.04 0.07 0.00 0.77 0.00 0.00 66.41 65.84 2kk1 h THR 83 Cb 1.18 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 68.36 2kk1 h THR 83 CO 0.58 0.37 -0.22 0.03 0.37 0.00 0.00 175.52 176.64 2kk1 h ARG 84 N 0.81 -0.20 -0.40 6.66 2.47 -1.99 0.10 114.38 121.82 2kk1 h ARG 84 Ca 0.15 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.85 2kk1 h ARG 84 Cb 0.47 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 2kk1 h ARG 84 CO 0.02 -0.13 0.09 -0.91 0.56 0.00 0.00 179.97 179.60 2kk1 h ASN 85 N -0.21 0.62 -0.09 7.04 4.21 -1.86 -2.58 115.58 122.71 2kk1 h ASN 85 Ca 0.15 -0.24 0.01 0.00 1.21 0.00 0.00 56.30 57.43 2kk1 h ASN 85 Cb 0.44 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.47 2kk1 h ASN 85 CO -0.41 0.69 0.03 0.50 -1.29 0.00 0.00 177.43 176.96 2kk1 h LYS 86 N 0.51 0.07 -0.04 0.81 3.64 -0.13 0.36 116.57 121.79 2kk1 h LYS 86 Ca 0.13 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2kk1 h LYS 86 Cb 0.32 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2kk1 h LYS 86 CO 0.00 0.05 -0.02 0.35 -2.27 0.00 0.00 179.45 177.56 2kk1 h PHE 87 N 0.07 0.09 -0.06 1.91 3.57 -0.90 -0.60 116.94 121.03 2kk1 h PHE 87 Ca 0.04 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.53 2kk1 h PHE 87 Cb 0.02 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2kk1 h PHE 87 CO -0.10 0.46 0.05 0.00 -2.23 0.00 0.00 178.31 176.49 2kk1 h ALA 88 N 0.62 1.77 0.16 2.41 0.00 -1.36 -1.06 119.26 121.80 2kk1 h ALA 88 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2kk1 h ALA 88 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kk1 h ALA 88 CO 0.01 -0.08 -0.08 0.35 0.00 0.00 0.00 179.25 179.45 2kk1 h PHE 89 N 0.00 -0.20 -0.59 0.00 3.57 0.00 -3.17 116.94 116.56 2kk1 h PHE 89 Ca 0.03 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 2kk1 h PHE 89 Cb 0.13 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2kk1 h PHE 89 CO 0.00 0.24 0.11 0.00 -2.23 0.00 0.00 178.31 176.43 2kk1 h ARG 90 N -0.85 0.93 -0.76 1.11 2.47 -0.67 0.12 114.38 116.73 2kk1 h ARG 90 Ca -0.02 -0.22 -0.00 0.00 -1.26 0.00 0.00 59.98 58.48 2kk1 h ARG 90 Cb 0.53 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.68 2kk1 h ARG 90 CO 0.04 0.85 0.46 1.05 0.56 0.00 0.00 179.97 182.93 2kk1 h GLU 91 N 0.89 1.03 -0.28 0.04 4.11 -1.35 0.25 114.58 119.27 2kk1 h GLU 91 Ca 0.19 -0.09 -0.19 0.00 0.07 0.00 0.00 59.36 59.34 2kk1 h GLU 91 Cb 0.36 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2kk1 h GLU 91 CO 0.01 0.72 -0.56 0.00 0.07 0.00 0.00 179.01 179.24 2kk1 h ALA 92 N 1.46 0.45 -0.57 1.06 0.00 -1.39 -2.68 119.26 117.60 2kk1 h ALA 92 Ca 0.27 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2kk1 h ALA 92 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2kk1 h ALA 92 CO -0.05 0.68 -0.02 0.28 0.00 0.00 0.00 179.25 180.14 2kk1 h VAL 93 N 0.67 1.27 -0.49 0.00 2.07 -0.55 -1.51 116.25 117.70 2kk1 h VAL 93 Ca 0.01 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.44 2kk1 h VAL 93 Cb 1.18 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 2kk1 h VAL 93 CO 0.13 0.41 0.20 0.28 0.02 0.00 0.00 177.57 178.61 2kk1 h SER 94 N 0.90 0.23 -0.42 0.57 0.02 -0.51 0.97 113.55 115.31 2kk1 h SER 94 Ca 0.16 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 2kk1 h SER 94 Cb 0.57 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 2kk1 h SER 94 CO 0.03 0.16 0.12 0.11 -1.14 0.00 0.00 176.83 176.12 2kk1 h LYS 95 N 0.39 0.26 0.25 3.45 1.57 -1.27 -1.03 116.57 120.19 2kk1 h LYS 95 Ca 0.23 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2kk1 h LYS 95 Cb 0.22 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2kk1 h LYS 95 CO -0.22 0.17 -0.12 1.25 -0.57 0.00 0.00 179.45 179.97 2kk1 h LEU 96 N 0.27 -0.29 -0.72 2.94 5.85 -0.25 0.19 115.31 123.31 2kk1 h LEU 96 Ca 0.20 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 2kk1 h LEU 96 Cb 0.21 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2kk1 h LEU 96 CO -0.23 -0.17 -0.03 1.05 -0.34 0.00 0.00 178.44 178.73 2kk1 h GLU 97 N -0.38 0.96 -0.44 1.25 4.11 -0.78 0.12 114.58 119.42 2kk1 h GLU 97 Ca -0.03 -0.30 -0.13 0.00 0.07 0.00 0.00 59.36 58.97 2kk1 h GLU 97 Cb 0.29 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2kk1 h GLU 97 CO 0.06 0.96 -0.23 -0.07 0.07 0.00 0.00 179.01 179.80 2kk1 h LEU 98 N 0.88 0.91 -0.90 3.06 3.38 -1.15 -2.21 115.31 119.27 2kk1 h LEU 98 Ca 0.16 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 2kk1 h LEU 98 Cb 0.55 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2kk1 h LEU 98 CO 0.03 1.10 -0.54 0.28 0.09 0.00 0.00 178.44 179.39 2kk1 h SER 99 N 0.77 0.00 -0.40 -0.43 0.02 -0.63 -1.96 113.55 110.92 2kk1 h SER 99 Ca 0.10 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2kk1 h SER 99 Cb 0.77 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 2kk1 h SER 99 CO 0.06 0.54 0.04 -0.07 -1.14 0.00 0.00 176.83 176.27 2kk1 h LEU 100 N 0.00 0.67 -0.48 5.07 3.38 -0.58 -1.13 115.31 122.24 2kk1 h LEU 100 Ca -0.01 -0.28 -0.17 0.00 0.09 0.00 0.00 57.88 57.51 2kk1 h LEU 100 Cb 0.97 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2kk1 h LEU 100 CO 0.07 0.78 -0.64 0.06 0.09 0.00 0.00 178.44 178.81 2kk1 h GLN 101 N 0.53 0.46 -0.08 1.13 3.07 -1.29 -1.28 115.11 117.65 2kk1 h GLN 101 Ca 0.12 -0.33 -0.11 0.00 0.09 0.00 0.00 58.65 58.43 2kk1 h GLN 101 Cb 0.42 0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.02 2kk1 h GLN 101 CO 0.01 0.95 -0.43 1.05 0.09 0.00 0.00 178.83 180.50 2kk1 h GLU 102 N 0.34 0.18 0.48 0.06 4.11 -1.37 -3.11 114.58 115.26 2kk1 h GLU 102 Ca -0.01 -0.09 -0.02 0.00 0.07 0.00 0.00 59.36 59.31 2kk1 h GLU 102 Cb 1.19 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2kk1 h GLU 102 CO 0.11 0.58 -0.23 1.25 0.07 0.00 0.00 179.01 180.80 2kk1 h LEU 103 N 0.15 -0.54 -1.87 3.06 5.85 -0.92 -2.37 115.31 118.67 2kk1 h LEU 103 Ca 0.01 -0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.79 2kk1 h LEU 103 Cb 0.83 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 2kk1 h LEU 103 CO 0.06 -0.19 0.39 0.06 -0.34 0.00 0.00 178.44 178.42 2kk1 h GLN 104 N -0.93 0.13 -0.00 1.25 3.07 -1.28 0.34 115.11 117.69 2kk1 h GLN 104 Ca -0.07 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.67 2kk1 h GLN 104 Cb 0.59 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.12 2kk1 h GLN 104 CO 0.11 0.09 -0.45 1.33 0.09 0.00 0.00 178.83 179.99 2kk1 n VAL 105 N -4.42 0.00 -0.88 1.86 0.24 -1.18 -4.14 118.33 109.82 2kk1 n VAL 105 Ca 0.10 -0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.45 2kk1 n VAL 105 Cb 0.54 0.19 0.07 0.00 -1.47 0.00 0.00 33.84 33.17 2kk1 n VAL 105 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2kk1 n SER 106 N -1.48 1.79 0.00 -1.34 7.64 0.89 -4.89 113.62 116.23 2kk1 n SER 106 Ca 0.06 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.44 2kk1 n SER 106 Cb 0.34 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2kk1 n SER 106 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2kk1 n SER 107 N -0.89 0.00 0.00 6.43 7.64 0.54 -4.84 113.62 122.51 2kk1 n SER 107 Ca 0.08 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2kk1 n SER 107 Cb 0.53 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 2kk1 n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kk1 n ALA 108 N -1.13 0.00 1.11 -0.43 0.00 -1.26 -4.58 120.51 114.22 2kk1 n ALA 108 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2kk1 n ALA 108 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 2kk1 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 n ALA 109 N 0.00 2.08 0.00 0.00 0.00 -1.26 -4.88 120.51 116.45 2kk1 n ALA 109 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kk1 n ALA 109 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2kk1 n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 n ALA 110 N -0.62 0.00 -2.67 0.00 0.00 -1.26 -3.86 120.51 112.10 2kk1 n ALA 110 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.43 2kk1 n ALA 110 Cb 0.01 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.55 2kk1 n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kk1 n GLY 111 N 0.00 -1.59 3.35 0.00 0.00 -1.26 -0.96 105.19 104.73 2kk1 n GLY 111 Ca 0.00 0.92 -0.33 0.00 0.00 0.00 0.00 46.02 46.61 2kk1 n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kk1 s VAL 112 N 0.12 2.96 0.08 1.61 1.01 -1.25 -4.17 120.40 120.75 2kk1 s VAL 112 Ca 0.25 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 2kk1 s VAL 112 Cb 0.23 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 34.28 2kk1 s VAL 112 CO -0.11 0.52 1.75 -2.16 0.00 0.00 0.00 175.10 175.10 2kk1 s PRO 113 N 0.41 4.17 -0.33 2.72 0.04 -1.26 -2.20 135.00 138.54 2kk1 s PRO 113 Ca -0.11 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2kk1 s PRO 113 Cb -0.16 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2kk1 s PRO 113 CO 0.05 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.70 2kk1 n GLY 114 N 4.14 0.58 0.32 0.56 0.00 -1.26 -4.92 105.19 104.62 2kk1 n GLY 114 Ca 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 2kk1 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk1 h THR 115 N 0.00 1.22 -4.17 2.61 1.03 -1.88 -3.42 112.91 108.29 2kk1 h THR 115 Ca -0.06 -0.69 -0.59 0.00 -0.01 0.00 0.00 66.41 65.06 2kk1 h THR 115 Cb 0.43 0.47 -0.30 0.00 -1.07 0.00 0.00 68.15 67.68 2kk1 h THR 115 CO 0.09 0.28 -0.85 0.20 -0.01 0.00 0.00 175.52 175.23 2kk1 s ASN 116 N -6.50 2.33 0.59 0.00 0.01 -1.26 -5.03 114.94 105.08 2kk1 s ASN 116 Ca -0.10 -0.37 0.29 0.00 -0.71 0.00 0.00 52.86 51.96 2kk1 s ASN 116 Cb 0.16 -0.44 1.47 0.00 0.41 0.00 0.00 41.25 42.85 2kk1 s ASN 116 CO 0.80 0.21 1.90 1.55 -1.51 0.00 0.00 177.10 180.05 2kk1 h PRO 117 N 5.92 0.00 -0.88 -0.60 0.13 -2.00 -0.91 132.00 133.65 2kk1 h PRO 117 Ca -0.36 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.94 2kk1 h PRO 117 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 2kk1 h PRO 117 CO 0.48 0.00 0.57 0.28 -0.23 0.00 0.00 178.00 179.10 2kk1 h VAL 118 N 0.00 0.77 0.07 1.56 2.07 -1.96 -2.39 116.25 116.37 2kk1 h VAL 118 Ca 0.23 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 2kk1 h VAL 118 Cb 1.20 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2kk1 h VAL 118 CO -0.00 0.10 -0.03 -0.07 0.02 0.00 0.00 177.57 177.59 2kk1 h LEU 119 N 0.56 -0.08 -1.32 2.57 3.38 -1.56 0.17 115.31 119.03 2kk1 h LEU 119 Ca 0.45 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.38 2kk1 h LEU 119 Cb 0.90 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 2kk1 h LEU 119 CO -0.20 0.01 0.47 0.78 0.09 0.00 0.00 178.44 179.60 2kk1 h ASN 120 N -0.17 0.77 -0.68 -0.43 2.35 -1.65 -0.23 115.58 115.55 2kk1 h ASN 120 Ca -0.01 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 2kk1 h ASN 120 Cb 0.14 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 2kk1 h ASN 120 CO 0.02 0.54 0.13 0.78 -1.65 0.00 0.00 177.43 177.25 2kk1 h ASN 121 N 0.90 1.07 -0.27 5.81 2.35 -0.93 -1.71 115.58 122.80 2kk1 h ASN 121 Ca 0.28 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2kk1 h ASN 121 Cb -0.01 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 2kk1 h ASN 121 CO -0.07 1.05 0.16 -0.07 -1.65 0.00 0.00 177.43 176.84 2kk1 h LEU 122 N 1.05 0.32 -0.44 1.61 3.38 0.12 -1.53 115.31 119.83 2kk1 h LEU 122 Ca 0.21 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.20 2kk1 h LEU 122 Cb 0.42 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 2kk1 h LEU 122 CO 0.01 0.29 -0.01 0.25 0.09 0.00 0.00 178.44 179.07 2kk1 h LEU 123 N 0.33 -0.22 -0.43 1.67 5.85 -0.81 0.16 115.31 121.86 2kk1 h LEU 123 Ca 0.10 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.95 2kk1 h LEU 123 Cb 0.03 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2kk1 h LEU 123 CO -0.02 -0.07 0.23 -1.28 -0.34 0.00 0.00 178.44 176.96 2kk1 h SER 124 N 0.10 0.35 -0.05 1.25 0.87 -1.15 -1.53 113.55 113.39 2kk1 h SER 124 Ca 0.22 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2kk1 h SER 124 Cb 0.32 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2kk1 h SER 124 CO -0.38 0.25 0.02 0.00 -0.53 0.00 0.00 176.83 176.19 2kk1 h VAL 126 N -0.07 1.10 -0.84 0.00 2.07 -0.60 0.63 116.25 118.54 2kk1 h VAL 126 Ca 0.02 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2kk1 h VAL 126 Cb 0.15 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2kk1 h VAL 126 CO -0.00 0.10 0.43 1.56 0.02 0.00 0.00 177.57 179.68 2kk1 h GLN 127 N 0.56 1.19 0.07 1.57 4.20 -1.26 -2.17 115.11 119.27 2kk1 h GLN 127 Ca 0.16 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2kk1 h GLN 127 Cb -0.05 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.51 2kk1 h GLN 127 CO -0.04 0.90 -0.03 1.49 -0.67 0.00 0.00 178.83 180.48 2kk1 h GLU 128 N 1.18 -0.09 0.13 1.46 4.57 -0.72 -1.61 114.58 119.51 2kk1 h GLU 128 Ca 0.29 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.50 2kk1 h GLU 128 Cb 0.08 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 2kk1 h GLU 128 CO -0.04 0.07 -0.36 0.82 -1.18 0.00 0.00 179.01 178.32 2kk1 h ILE 129 N -0.23 0.25 -0.82 2.32 2.04 -0.75 0.32 117.51 120.64 2kk1 h ILE 129 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 2kk1 h ILE 129 Cb 0.20 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 2kk1 h ILE 129 CO 0.02 0.00 0.54 0.77 0.00 0.00 0.00 178.15 179.48 2kk1 h SER 130 N -0.60 0.84 -0.54 1.72 4.64 -1.44 -2.00 113.55 116.17 2kk1 h SER 130 Ca 0.03 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2kk1 h SER 130 Cb 0.62 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2kk1 h SER 130 CO -0.21 0.56 0.26 -0.78 -0.87 0.00 0.00 176.83 175.79 2kk1 h ASP 131 N 0.96 0.70 -0.98 4.97 1.82 -0.57 -2.74 116.42 120.58 2kk1 h ASP 131 Ca 0.34 -0.13 0.05 0.00 -0.39 0.00 0.00 57.03 56.91 2kk1 h ASP 131 Cb 0.14 -0.18 -0.06 0.00 0.68 0.00 0.00 39.33 39.91 2kk1 h ASP 131 CO -0.11 0.63 0.64 0.58 -1.61 0.00 0.00 179.24 179.36 2kk1 h VAL 132 N 0.72 1.12 0.00 2.25 2.07 -0.22 -1.41 116.25 120.78 2kk1 h VAL 132 Ca 0.18 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2kk1 h VAL 132 Cb 0.11 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.71 2kk1 h VAL 132 CO -0.02 0.22 -0.16 0.58 0.02 0.00 0.00 177.57 178.20 2kk1 h VAL 133 N 1.18 0.49 -0.00 2.57 2.07 -1.22 -2.69 116.25 118.65 2kk1 h VAL 133 Ca 0.41 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2kk1 h VAL 133 Cb 0.10 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2kk1 h VAL 133 CO -0.14 0.16 -0.13 0.00 0.02 0.00 0.00 177.57 177.47 2kk1 n GLN 134 N -3.44 0.29 0.00 1.57 6.02 -0.54 -5.13 117.38 116.15 2kk1 n GLN 134 Ca -0.01 -0.08 0.15 0.00 -0.01 0.00 0.00 57.00 57.06 2kk1 n GLN 134 Cb 0.33 -1.50 0.76 0.00 1.02 0.00 0.00 30.24 30.85 2kk1 n GLN 134 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59