#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk1 s GLY 2 N 0.00 1.27 -0.17 -5.12 0.00 -1.26 -5.08 107.32 96.96 2kk1 s GLY 2 Ca 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 44.72 42.40 2kk1 s GLY 2 CO 0.00 1.86 0.26 0.30 0.00 0.00 0.00 173.10 175.52 2kk1 s HIS 3 N 0.59 -0.41 0.66 1.90 4.02 -1.26 -5.16 115.29 115.63 2kk1 s HIS 3 Ca 0.20 0.68 -0.15 0.00 1.02 0.00 0.00 55.06 56.81 2kk1 s HIS 3 Cb -0.19 -0.15 0.00 0.00 -1.02 0.00 0.00 32.58 31.22 2kk1 s HIS 3 CO -0.03 -0.48 1.13 -1.01 1.02 0.00 0.00 174.74 175.38 2kk1 s HIS 4 N 2.40 2.50 -0.18 1.40 4.02 -1.26 -4.92 115.29 119.24 2kk1 s HIS 4 Ca 0.05 1.56 -0.29 0.00 1.02 0.00 0.00 55.06 57.40 2kk1 s HIS 4 Cb -0.14 -3.25 -0.05 0.00 -1.02 0.00 0.00 32.58 28.12 2kk1 s HIS 4 CO -0.10 -1.88 2.01 -3.38 1.02 0.00 0.00 174.74 172.41 2kk1 s HIS 5 N -2.19 1.43 -2.12 1.40 0.00 -1.26 -4.85 115.29 107.69 2kk1 s HIS 5 Ca 0.69 0.35 0.30 0.00 -3.00 0.00 0.00 55.06 53.40 2kk1 s HIS 5 Cb -0.23 -4.03 1.46 0.00 -4.00 0.00 0.00 32.58 25.79 2kk1 s HIS 5 CO 0.41 -4.05 1.98 0.72 -1.00 0.00 0.00 174.74 172.80 2kk1 n HIS 6 N 10.13 0.00 -1.84 0.38 -0.00 -1.26 -4.73 115.22 117.90 2kk1 n HIS 6 Ca 0.25 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.75 2kk1 n HIS 6 Cb 0.44 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.99 30.35 2kk1 n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk1 s HIS 7 N -2.09 1.50 -0.02 4.41 0.09 -1.26 -4.91 115.29 113.01 2kk1 s HIS 7 Ca 0.41 1.22 0.02 0.00 -0.00 0.00 0.00 55.06 56.71 2kk1 s HIS 7 Cb 0.21 -3.79 0.01 0.00 -0.00 0.00 0.00 32.58 29.01 2kk1 s HIS 7 CO 0.38 -1.74 -0.07 -3.38 -0.00 0.00 0.00 174.74 169.93 2kk1 s HIS 8 N 11.99 0.74 -1.30 1.40 0.00 -1.26 -4.76 115.29 122.10 2kk1 s HIS 8 Ca 0.80 -0.17 0.00 0.00 -3.00 0.00 0.00 55.06 52.69 2kk1 s HIS 8 Cb -0.10 -0.55 0.00 0.00 -4.00 0.00 0.00 32.58 27.93 2kk1 s HIS 8 CO 0.05 -0.09 0.00 0.43 -1.00 0.00 0.00 174.74 174.13 2kk1 n SER 9 N 3.39 -4.47 -3.60 7.38 7.64 -1.26 -4.98 113.62 117.72 2kk1 n SER 9 Ca -0.19 0.30 -0.01 0.00 1.01 0.00 0.00 58.87 59.98 2kk1 n SER 9 Cb 0.54 -3.06 -0.04 0.00 -1.01 0.00 0.00 64.21 60.64 2kk1 n SER 9 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2kk1 s HIS 10 N -2.46 -1.14 0.75 1.43 2.46 -1.26 -5.17 115.29 109.90 2kk1 s HIS 10 Ca 0.00 2.02 -0.15 0.00 0.47 0.00 0.00 55.06 57.39 2kk1 s HIS 10 Cb 0.00 0.68 0.00 0.00 -0.13 0.00 0.00 32.58 33.14 2kk1 s HIS 10 CO 0.00 -0.57 0.83 0.00 -2.47 0.00 0.00 174.74 172.53 2kk1 n MET 11 N 5.14 0.35 -0.83 2.88 0.00 -1.26 -4.87 117.12 118.52 2kk1 n MET 11 Ca -0.13 0.17 0.05 0.00 0.00 0.00 0.00 57.70 57.80 2kk1 n MET 11 Cb 0.51 -2.11 0.16 0.00 0.00 0.00 0.00 33.22 31.79 2kk1 n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kk1 n ALA 12 N -2.64 3.41 -1.22 3.17 0.00 -1.26 -4.77 120.51 117.20 2kk1 n ALA 12 Ca 0.12 -3.11 -0.30 0.00 0.00 0.00 0.00 53.44 50.14 2kk1 n ALA 12 Cb 0.50 -0.44 -0.08 0.00 0.00 0.00 0.00 19.45 19.44 2kk1 n ALA 12 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kk1 n ASN 13 N -0.76 7.62 0.00 0.00 3.02 -1.26 -4.06 115.26 119.82 2kk1 n ASN 13 Ca 0.17 -2.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.16 2kk1 n ASN 13 Cb 0.79 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 2kk1 n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kk1 n GLY 14 N 3.19 0.69 2.62 7.41 0.00 -1.26 -5.13 105.19 112.71 2kk1 n GLY 14 Ca 0.67 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 2kk1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk1 s ALA 15 N -1.27 0.32 0.17 4.61 0.00 -1.26 -5.13 121.76 119.20 2kk1 s ALA 15 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 51.96 51.13 2kk1 s ALA 15 Cb 0.00 -1.28 -0.09 0.00 0.00 0.00 0.00 23.12 21.75 2kk1 s ALA 15 CO 0.00 -1.41 1.42 0.00 0.00 0.00 0.00 175.76 175.77 2kk1 s ALA 16 N 2.17 3.62 -0.28 0.00 0.00 -1.26 -4.91 121.76 121.11 2kk1 s ALA 16 Ca 0.06 1.21 0.27 0.00 0.00 0.00 0.00 51.96 53.50 2kk1 s ALA 16 Cb -0.16 -3.55 1.12 0.00 0.00 0.00 0.00 23.12 20.53 2kk1 s ALA 16 CO -0.22 -0.66 1.81 0.78 0.00 0.00 0.00 175.76 177.47 2kk1 h GLY 17 N 6.12 0.00 -0.01 0.00 0.00 -2.00 -3.23 103.07 103.94 2kk1 h GLY 17 Ca -0.44 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.11 2kk1 h GLY 17 CO 0.84 0.00 0.61 -0.91 0.00 0.00 0.00 176.54 177.07 2kk1 h THR 18 N 0.00 0.62 0.00 4.70 1.35 -2.01 -3.16 112.91 114.42 2kk1 h THR 18 Ca 0.00 -0.23 -0.09 0.00 -0.55 0.00 0.00 66.41 65.54 2kk1 h THR 18 Cb 0.42 -0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.73 2kk1 h THR 18 CO 0.00 0.12 -1.01 2.29 -0.25 0.00 0.00 175.52 176.67 2kk1 n LYS 19 N -4.81 0.21 0.00 4.72 2.85 -1.22 -4.82 118.16 115.09 2kk1 n LYS 19 Ca 0.25 0.09 0.13 0.00 -1.05 0.00 0.00 58.31 57.73 2kk1 n LYS 19 Cb 0.67 -0.86 0.39 0.00 -0.65 0.00 0.00 35.03 34.59 2kk1 n LYS 19 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2kk1 n VAL 20 N -3.64 0.00 -0.04 0.58 3.14 -1.23 -3.88 118.33 113.25 2kk1 n VAL 20 Ca -0.13 -0.02 -0.13 0.00 -2.96 0.00 0.00 64.34 61.10 2kk1 n VAL 20 Cb 0.43 0.04 -0.11 0.00 -1.06 0.00 0.00 33.84 33.14 2kk1 n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kk1 h ALA 21 N 3.12 -0.01 -0.07 1.55 0.00 -1.75 -3.28 119.26 118.81 2kk1 h ALA 21 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kk1 h ALA 21 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kk1 h ALA 21 CO 0.00 -0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.38 2kk1 n LEU 22 N -4.75 1.02 -3.99 0.00 4.77 -1.26 -4.56 117.00 108.23 2kk1 n LEU 22 Ca -0.09 -0.40 -0.43 0.00 -0.03 0.00 0.00 56.01 55.06 2kk1 n LEU 22 Cb 0.35 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2kk1 n LEU 22 CO 0.33 0.20 1.57 -1.14 -1.33 0.00 0.00 177.39 177.02 2kk1 n ARG 23 N -0.14 3.88 0.10 3.23 0.00 -1.24 -4.44 116.66 118.05 2kk1 n ARG 23 Ca 0.17 -3.94 0.00 0.00 -0.00 0.00 0.00 57.85 54.08 2kk1 n ARG 23 Cb 0.24 -2.78 0.00 0.00 0.00 0.00 0.00 32.46 29.92 2kk1 n ARG 23 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2kk1 n LYS 24 N 3.14 0.00 -2.18 -0.14 4.76 -1.26 -5.02 118.16 117.45 2kk1 n LYS 24 Ca 0.34 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.52 2kk1 n LYS 24 Cb 0.36 -0.01 0.17 0.00 -1.84 0.00 0.00 35.03 33.70 2kk1 n LYS 24 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2kk1 n THR 25 N -3.21 0.00 -1.40 -0.18 -2.24 -1.26 -5.09 114.28 100.90 2kk1 n THR 25 Ca 0.00 -1.23 -0.29 0.00 -2.27 0.00 0.00 64.05 60.26 2kk1 n THR 25 Cb 0.00 -1.25 0.16 0.00 -2.10 0.00 0.00 70.33 67.14 2kk1 n THR 25 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kk1 s LYS 26 N -5.56 0.69 0.10 -0.78 1.02 -1.26 -5.06 119.74 108.89 2kk1 s LYS 26 Ca 0.71 0.30 0.00 0.00 0.02 0.00 0.00 55.97 57.00 2kk1 s LYS 26 Cb -0.03 -1.79 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 2kk1 s LYS 26 CO 0.49 -2.51 0.00 0.00 -0.92 0.00 0.00 175.35 172.41 2kk1 n GLN 27 N -3.98 0.00 -3.64 1.68 10.64 -1.26 -5.12 117.38 115.69 2kk1 n GLN 27 Ca 0.07 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.16 2kk1 n GLN 27 Cb 0.59 -0.42 -0.07 0.00 -0.86 0.00 0.00 30.24 29.47 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 -2.00 -1.94 0.61 2.61 0.00 -1.26 -5.04 121.76 114.75 2kk1 s ALA 28 Ca 0.00 2.29 0.29 0.00 0.00 0.00 0.00 51.96 54.55 2kk1 s ALA 28 Cb 0.00 -1.44 1.57 0.00 0.00 0.00 0.00 23.12 23.26 2kk1 s ALA 28 CO 0.00 -0.36 1.96 0.00 0.00 0.00 0.00 175.76 177.36 2kk1 h ALA 29 N 6.35 1.85 0.00 0.00 0.00 -2.00 0.24 119.26 125.71 2kk1 h ALA 29 Ca -0.29 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2kk1 h ALA 29 Cb 1.21 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2kk1 h ALA 29 CO 0.15 -0.51 -0.20 0.93 0.00 0.00 0.00 179.25 179.62 2kk1 h GLU 30 N 0.00 0.00 -0.00 0.00 5.08 -2.01 -3.19 114.58 114.45 2kk1 h GLU 30 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2kk1 h GLU 30 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2kk1 h GLU 30 CO -0.00 0.20 -0.06 1.17 -1.00 0.00 0.00 179.01 179.32 2kk1 n LYS 31 N -3.99 2.85 -3.32 2.33 4.81 -0.01 -4.99 118.16 115.83 2kk1 n LYS 31 Ca -0.02 -0.32 -0.40 0.00 -0.87 0.00 0.00 58.31 56.70 2kk1 n LYS 31 Cb 0.28 -0.83 -0.08 0.00 0.02 0.00 0.00 35.03 34.42 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 -0.73 5.12 0.25 3.15 1.01 -0.70 -4.97 121.20 124.34 2kk1 s ILE 32 Ca 0.02 0.57 -0.04 0.00 0.00 0.00 0.00 60.65 61.19 2kk1 s ILE 32 Cb 0.02 -3.79 0.18 0.00 0.01 0.00 0.00 42.46 38.89 2kk1 s ILE 32 CO 0.06 0.05 1.84 -1.28 0.00 0.00 0.00 174.94 175.62 2kk1 h SER 33 N 8.21 0.97 -0.82 3.58 0.87 -1.92 -3.11 113.55 121.33 2kk1 h SER 33 Ca -0.30 -0.12 0.19 0.00 -1.23 0.00 0.00 61.79 60.32 2kk1 h SER 33 Cb 1.15 -0.25 -0.12 0.00 -0.44 0.00 0.00 62.40 62.74 2kk1 h SER 33 CO 0.69 0.84 0.28 0.00 -0.53 0.00 0.00 176.83 178.11 2kk1 h ALA 34 N 1.30 1.18 0.00 6.23 0.00 -1.93 0.27 119.26 126.32 2kk1 h ALA 34 Ca 0.25 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 2kk1 h ALA 34 Cb 0.15 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kk1 h ALA 34 CO -0.03 -0.34 -0.47 0.22 0.00 0.00 0.00 179.25 178.63 2kk1 h ASP 35 N 0.33 0.00 0.62 0.00 3.58 -1.78 -3.10 116.42 116.07 2kk1 h ASP 35 Ca 0.49 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.75 2kk1 h ASP 35 Cb 0.88 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 2kk1 h ASP 35 CO -0.53 0.47 -0.84 0.50 -2.88 0.00 0.00 179.24 175.97 2kk1 h LYS 36 N 0.00 0.15 -5.80 0.28 3.11 -0.63 -3.43 116.57 110.25 2kk1 h LYS 36 Ca -0.00 -0.16 -0.54 0.00 -2.81 0.00 0.00 60.65 57.14 2kk1 h LYS 36 Cb 1.13 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 2kk1 h LYS 36 CO 0.06 0.90 1.56 -0.89 -2.81 0.00 0.00 179.45 178.27 2kk1 n ILE 37 N -3.66 0.14 -4.06 2.00 2.08 0.64 -4.93 119.36 111.56 2kk1 n ILE 37 Ca -0.03 -0.58 -0.28 0.00 0.56 0.00 0.00 62.75 62.42 2kk1 n ILE 37 Cb 0.78 -2.55 -0.01 0.00 -0.75 0.00 0.00 39.64 37.11 2kk1 n ILE 37 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2kk1 n SER 38 N 13.35 2.93 -0.20 4.38 7.64 -1.26 -4.53 113.62 135.94 2kk1 n SER 38 Ca 0.35 -3.01 -0.05 0.00 1.01 0.00 0.00 58.87 57.17 2kk1 n SER 38 Cb 0.46 0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.71 2kk1 n SER 38 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2kk1 h LYS 39 N 0.00 -0.14 -0.10 1.43 3.11 -1.98 -1.77 116.57 117.12 2kk1 h LYS 39 Ca -0.37 0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.49 2kk1 h LYS 39 Cb 1.31 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.56 2kk1 h LYS 39 CO 0.59 -0.09 0.03 1.05 -2.81 0.00 0.00 179.45 178.22 2kk1 h GLU 40 N -0.15 0.07 -0.75 1.90 4.11 -1.98 -2.74 114.58 115.05 2kk1 h GLU 40 Ca 0.24 -0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.77 2kk1 h GLU 40 Cb 0.54 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 2kk1 h GLU 40 CO -0.67 0.05 0.37 0.00 0.07 0.00 0.00 179.01 178.83 2kk1 h ALA 41 N 1.07 1.05 0.00 1.06 0.00 -1.71 0.01 119.26 120.74 2kk1 h ALA 41 Ca 0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kk1 h ALA 41 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kk1 h ALA 41 CO -0.05 -0.05 -0.00 1.25 0.00 0.00 0.00 179.25 180.39 2kk1 h LEU 42 N 0.61 -0.00 -0.58 0.00 6.46 -1.37 -3.00 115.31 117.43 2kk1 h LEU 42 Ca 0.38 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 2kk1 h LEU 42 Cb 0.43 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.33 2kk1 h LEU 42 CO -0.29 0.35 0.28 -0.07 -0.62 0.00 0.00 178.44 178.09 2kk1 h LEU 43 N -0.35 0.76 -0.65 2.25 3.38 -1.10 0.27 115.31 119.87 2kk1 h LEU 43 Ca -0.00 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 57.93 2kk1 h LEU 43 Cb 0.35 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 2kk1 h LEU 43 CO 0.00 0.68 0.29 -0.33 0.09 0.00 0.00 178.44 179.16 2kk1 h GLU 44 N 0.79 0.48 -0.15 1.13 4.39 -1.07 0.82 114.58 120.97 2kk1 h GLU 44 Ca 0.20 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.75 2kk1 h GLU 44 Cb 0.11 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2kk1 h GLU 44 CO -0.03 0.32 -0.39 0.00 -1.16 0.00 0.00 179.01 177.75 2kk1 h ALA 46 N 0.54 1.22 -0.18 0.00 0.00 -0.67 -2.34 119.26 117.83 2kk1 h ALA 46 Ca -0.01 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2kk1 h ALA 46 Cb 1.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kk1 h ALA 46 CO 0.08 0.56 0.14 0.22 0.00 0.00 0.00 179.25 180.26 2kk1 h ASP 47 N 0.90 0.00 -0.85 0.00 3.58 -0.87 -1.21 116.42 117.97 2kk1 h ASP 47 Ca 0.21 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.74 2kk1 h ASP 47 Cb 0.22 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.22 2kk1 h ASP 47 CO -0.01 0.00 0.55 -0.07 -2.88 0.00 0.00 179.24 176.83 2kk1 h LEU 48 N 0.00 0.77 -0.29 2.28 3.38 -1.47 0.10 115.31 120.07 2kk1 h LEU 48 Ca 0.09 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 2kk1 h LEU 48 Cb 0.37 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2kk1 h LEU 48 CO -0.00 0.47 -0.68 -0.07 0.09 0.00 0.00 178.44 178.24 2kk1 h LEU 49 N 0.86 0.81 -0.16 1.67 4.07 -1.36 0.40 115.31 121.60 2kk1 h LEU 49 Ca 0.38 -0.50 0.04 0.00 0.08 0.00 0.00 57.88 57.88 2kk1 h LEU 49 Cb 0.35 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 2kk1 h LEU 49 CO -0.15 1.27 -0.09 -1.28 -1.08 0.00 0.00 178.44 177.12 2kk1 h SER 50 N 0.50 -0.28 -0.18 -0.43 0.87 -1.15 -0.92 113.55 111.96 2kk1 h SER 50 Ca -0.02 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2kk1 h SER 50 Cb 1.29 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.40 2kk1 h SER 50 CO 0.14 -0.12 0.02 -1.28 -0.53 0.00 0.00 176.83 175.06 2kk1 h SER 51 N -0.07 0.30 0.00 6.23 0.87 -1.03 -2.55 113.55 117.30 2kk1 h SER 51 Ca 0.09 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2kk1 h SER 51 Cb 0.21 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2kk1 h SER 51 CO -0.21 0.51 0.03 0.00 -0.53 0.00 0.00 176.83 176.63 2kk1 h ALA 52 N 0.81 1.03 0.00 6.23 0.00 -0.66 0.16 119.26 126.83 2kk1 h ALA 52 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kk1 h ALA 52 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kk1 h ALA 52 CO 0.01 -0.03 -1.46 1.28 0.00 0.00 0.00 179.25 179.05 2kk1 n LEU 53 N -2.85 0.42 0.08 0.00 4.77 -0.37 -4.12 117.00 114.93 2kk1 n LEU 53 Ca -0.03 0.03 0.04 0.00 -0.03 0.00 0.00 56.01 56.03 2kk1 n LEU 53 Cb 0.09 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2kk1 n LEU 53 CO 0.17 -0.01 0.02 0.71 -1.33 0.00 0.00 177.39 176.95 2kk1 h THR 54 N 0.00 0.44 -3.23 -5.08 1.35 -0.39 -3.46 112.91 102.53 2kk1 h THR 54 Ca 0.00 -1.76 -0.64 0.00 -0.55 0.00 0.00 66.41 63.47 2kk1 h THR 54 Cb 0.90 2.00 -0.11 0.00 -1.73 0.00 0.00 68.15 69.21 2kk1 h THR 54 CO 0.00 0.25 -0.64 -1.83 -0.25 0.00 0.00 175.52 173.05 2kk1 s GLU 55 N -3.05 2.64 -0.02 4.72 -1.05 0.23 -5.09 118.70 117.08 2kk1 s GLU 55 Ca -0.00 -0.82 -0.30 0.00 -0.15 0.00 0.00 54.97 53.69 2kk1 s GLU 55 Cb 0.08 -2.58 -0.06 0.00 -0.44 0.00 0.00 34.13 31.14 2kk1 s GLU 55 CO 0.78 0.54 1.55 -2.14 0.95 0.00 0.00 175.26 176.94 2kk1 s PRO 56 N -2.43 4.22 0.05 -4.83 0.02 -1.26 -4.73 135.00 126.04 2kk1 s PRO 56 Ca 0.27 2.11 -0.04 0.00 0.02 0.00 0.00 61.00 63.36 2kk1 s PRO 56 Cb -0.12 -3.77 -0.02 0.00 0.02 0.00 0.00 34.50 30.61 2kk1 s PRO 56 CO 0.20 -0.73 0.05 0.14 -0.33 0.00 0.00 177.00 176.32 2kk1 s VAL 57 N 3.25 0.17 0.48 3.83 -7.23 -1.26 -5.10 120.40 114.54 2kk1 s VAL 57 Ca 0.69 -1.40 -0.22 0.00 -1.81 0.00 0.00 61.98 59.25 2kk1 s VAL 57 Cb -0.33 -1.19 -0.07 0.00 0.56 0.00 0.00 36.38 35.35 2kk1 s VAL 57 CO 0.28 -0.77 1.15 -2.84 -0.31 0.00 0.00 175.10 172.61 2kk1 s PRO 58 N -3.30 3.65 0.48 4.82 0.02 -1.26 -4.50 135.00 134.91 2kk1 s PRO 58 Ca 0.01 1.72 0.13 0.00 0.02 0.00 0.00 61.00 62.89 2kk1 s PRO 58 Cb 0.03 -2.29 1.13 0.00 0.02 0.00 0.00 34.50 33.39 2kk1 s PRO 58 CO -0.08 -0.63 2.11 -0.91 -0.33 0.00 0.00 177.00 177.17 2kk1 h ASN 59 N 1.81 0.16 -0.54 2.53 -0.26 -1.52 -1.31 115.58 116.45 2kk1 h ASN 59 Ca -0.50 -0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.18 2kk1 h ASN 59 Cb 1.25 -0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 38.45 2kk1 h ASN 59 CO 0.59 0.12 0.11 -1.28 -1.06 0.00 0.00 177.43 175.91 2kk1 h SER 60 N 0.19 0.87 -0.50 5.81 0.87 -1.92 -1.86 113.55 117.01 2kk1 h SER 60 Ca 0.06 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 2kk1 h SER 60 Cb 0.01 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 2kk1 h SER 60 CO -0.01 0.87 0.22 -0.61 -0.53 0.00 0.00 176.83 176.77 2kk1 h GLN 61 N 0.88 0.74 0.16 2.24 4.15 -1.62 0.30 115.11 121.96 2kk1 h GLN 61 Ca 0.18 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2kk1 h GLN 61 Cb 0.37 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2kk1 h GLN 61 CO 0.01 0.64 -0.15 -0.07 -1.93 0.00 0.00 178.83 177.32 2kk1 h LEU 62 N 0.67 -0.39 -0.51 -2.39 3.38 -1.23 -0.36 115.31 114.47 2kk1 h LEU 62 Ca 0.17 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2kk1 h LEU 62 Cb 0.16 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2kk1 h LEU 62 CO -0.02 -0.23 0.27 0.58 0.09 0.00 0.00 178.44 179.13 2kk1 h VAL 63 N -0.34 1.18 0.26 1.22 2.07 -1.25 -0.03 116.25 119.37 2kk1 h VAL 63 Ca -0.00 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2kk1 h VAL 63 Cb 0.31 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2kk1 h VAL 63 CO -0.03 0.19 -0.17 -0.78 0.02 0.00 0.00 177.57 176.81 2kk1 h ASP 64 N 0.68 -0.42 -0.80 0.57 3.58 -0.83 -2.12 116.42 117.08 2kk1 h ASP 64 Ca 0.18 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 2kk1 h ASP 64 Cb 0.07 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 2kk1 h ASP 64 CO -0.03 -0.27 0.48 0.74 -2.88 0.00 0.00 179.24 177.28 2kk1 h THR 65 N -0.42 1.22 0.00 2.25 2.02 -0.97 -2.22 112.91 114.79 2kk1 h THR 65 Ca -0.02 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 2kk1 h THR 65 Cb 0.35 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2kk1 h THR 65 CO 0.02 0.24 -0.08 1.23 0.37 0.00 0.00 175.52 177.30 2kk1 h GLY 66 N 1.13 0.00 0.75 2.16 0.00 -0.70 -3.10 103.07 103.32 2kk1 h GLY 66 Ca 0.29 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.63 2kk1 h GLY 66 CO -0.05 0.00 -0.14 0.45 0.00 0.00 0.00 176.54 176.80 2kk1 h HIS 67 N 0.00 -0.36 0.00 5.60 -0.00 -0.73 -2.40 115.15 117.27 2kk1 h HIS 67 Ca -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2kk1 h HIS 67 Cb 0.16 0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 27.72 2kk1 h HIS 67 CO 0.00 -0.21 -0.07 -0.56 -0.00 0.00 0.00 177.93 177.09 2kk1 h GLN 68 N -0.27 0.00 -0.87 2.45 3.07 -1.67 -1.20 115.11 116.62 2kk1 h GLN 68 Ca 0.02 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.79 2kk1 h GLN 68 Cb 0.29 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.80 2kk1 h GLN 68 CO -0.08 0.07 0.58 -0.07 0.09 0.00 0.00 178.83 179.41 2kk1 h LEU 69 N 0.00 0.95 -1.72 0.06 -0.00 -1.49 0.12 115.31 113.24 2kk1 h LEU 69 Ca -0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.84 2kk1 h LEU 69 Cb 0.16 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 40.59 2kk1 h LEU 69 CO 0.01 0.66 -0.14 -0.07 -0.00 0.00 0.00 178.44 178.90 2kk1 h LEU 70 N 1.11 0.00 0.29 1.67 -0.00 -1.14 0.15 115.31 117.40 2kk1 h LEU 70 Ca 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.21 2kk1 h LEU 70 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 2kk1 h LEU 70 CO -0.10 0.14 -0.14 -0.78 -0.00 0.00 0.00 178.44 177.57 2kk1 h ASP 71 N 0.00 -0.33 -0.81 -0.43 1.82 -1.02 -2.55 116.42 113.10 2kk1 h ASP 71 Ca -0.00 -0.19 0.03 0.00 -0.39 0.00 0.00 57.03 56.49 2kk1 h ASP 71 Cb 0.25 0.09 -0.05 0.00 0.68 0.00 0.00 39.33 40.30 2kk1 h ASP 71 CO 0.02 0.14 0.52 1.88 -1.61 0.00 0.00 179.24 180.18 2kk1 h TYR 72 N -0.95 0.97 -0.07 0.28 -1.99 -0.94 -0.26 116.97 114.02 2kk1 h TYR 72 Ca -0.04 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 2kk1 h TYR 72 Cb 0.50 -0.32 -0.00 0.00 2.00 0.00 0.00 36.73 38.91 2kk1 h TYR 72 CO 0.04 0.55 0.04 0.00 -0.00 0.00 0.00 178.16 178.80 2kk1 h SER 74 N 0.04 0.99 -0.31 0.00 0.87 -1.19 -0.11 113.55 113.84 2kk1 h SER 74 Ca 0.02 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.37 2kk1 h SER 74 Cb 0.05 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2kk1 h SER 74 CO -0.00 0.90 -0.03 1.23 -0.53 0.00 0.00 176.83 178.39 2kk1 h GLY 75 N 1.09 0.61 1.16 5.77 0.00 -0.86 -3.14 103.07 107.71 2kk1 h GLY 75 Ca 0.23 -0.48 -0.21 0.00 0.00 0.00 0.00 47.33 46.88 2kk1 h GLY 75 CO -0.01 0.44 -0.71 -1.82 0.00 0.00 0.00 176.54 174.43 2kk1 h TYR 76 N 0.35 1.08 -0.37 5.60 3.20 -0.69 -3.19 116.97 122.96 2kk1 h TYR 76 Ca 0.08 -0.45 0.01 0.00 3.14 0.00 0.00 58.73 61.51 2kk1 h TYR 76 Cb 0.49 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 2kk1 h TYR 76 CO 0.04 1.29 0.24 -0.24 -1.64 0.00 0.00 178.16 177.85 2kk1 h VAL 77 N 0.57 1.08 0.00 1.81 3.04 -1.09 0.22 116.25 121.88 2kk1 h VAL 77 Ca -0.04 -0.16 -0.01 0.00 -1.01 0.00 0.00 66.70 65.49 2kk1 h VAL 77 Cb 1.34 0.57 -0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2kk1 h VAL 77 CO 0.15 0.09 -0.03 -0.78 -1.01 0.00 0.00 177.57 175.98 2kk1 h ASP 78 N 0.47 0.00 -0.02 3.17 3.58 -1.53 -2.77 116.42 119.33 2kk1 h ASP 78 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2kk1 h ASP 78 Cb -0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2kk1 h ASP 78 CO -0.03 0.03 -0.02 0.00 -2.88 0.00 0.00 179.24 176.34 2kk1 s ILE 80 N -1.17 4.20 0.01 0.00 1.01 -0.45 -4.94 121.20 119.86 2kk1 s ILE 80 Ca 0.15 1.44 -0.20 0.00 0.00 0.00 0.00 60.65 62.04 2kk1 s ILE 80 Cb 0.11 -3.96 -0.19 0.00 0.01 0.00 0.00 42.46 38.43 2kk1 s ILE 80 CO 0.18 -0.16 1.20 -0.65 0.00 0.00 0.00 174.94 175.51 2kk1 h PRO 81 N 8.45 0.37 -5.83 2.79 0.11 -1.92 -3.42 132.00 132.56 2kk1 h PRO 81 Ca -0.28 -0.30 -0.37 0.00 0.11 0.00 0.00 66.00 65.17 2kk1 h PRO 81 Cb 1.11 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2kk1 h PRO 81 CO 0.97 0.93 0.95 -0.65 -0.21 0.00 0.00 178.00 180.00 2kk1 s GLN 82 N -3.67 2.66 0.40 1.05 1.11 -1.26 -4.82 119.66 115.13 2kk1 s GLN 82 Ca -0.14 -0.12 0.10 0.00 0.01 0.00 0.00 55.36 55.21 2kk1 s GLN 82 Cb 0.04 -4.89 0.90 0.00 -1.01 0.00 0.00 33.01 28.05 2kk1 s GLN 82 CO 0.78 -3.10 1.96 1.15 0.01 0.00 0.00 175.29 176.09 2kk1 h THR 83 N 7.10 0.93 -0.22 -0.19 2.02 -1.98 0.11 112.91 120.68 2kk1 h THR 83 Ca 0.00 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.03 2kk1 h THR 83 Cb 1.05 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 2kk1 h THR 83 CO 1.23 0.10 -0.06 0.03 0.37 0.00 0.00 175.52 177.19 2kk1 h ARG 84 N 0.57 -0.01 -0.29 6.66 2.47 -1.98 0.10 114.38 121.90 2kk1 h ARG 84 Ca 0.31 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.91 2kk1 h ARG 84 Cb 0.46 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 2kk1 h ARG 84 CO -0.10 -0.00 -0.32 -0.91 0.56 0.00 0.00 179.97 179.20 2kk1 h ASN 85 N -0.01 0.64 -0.61 7.04 2.35 -1.66 -3.11 115.58 120.23 2kk1 h ASN 85 Ca 0.11 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 2kk1 h ASN 85 Cb 0.17 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2kk1 h ASN 85 CO -0.24 0.91 0.27 0.50 -1.65 0.00 0.00 177.43 177.23 2kk1 h LYS 86 N 0.53 0.92 0.11 0.81 3.64 -0.04 0.48 116.57 123.02 2kk1 h LYS 86 Ca 0.06 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2kk1 h LYS 86 Cb 0.81 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2kk1 h LYS 86 CO 0.07 0.74 -0.05 0.35 -2.27 0.00 0.00 179.45 178.28 2kk1 h PHE 87 N 0.91 -0.14 -0.47 1.91 3.57 -1.03 -2.36 116.94 119.34 2kk1 h PHE 87 Ca 0.22 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.77 2kk1 h PHE 87 Cb 0.15 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2kk1 h PHE 87 CO 0.01 0.26 0.31 0.00 -2.23 0.00 0.00 178.31 176.66 2kk1 h ALA 88 N 0.22 1.89 -0.17 2.41 0.00 -1.43 -2.07 119.26 120.11 2kk1 h ALA 88 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2kk1 h ALA 88 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2kk1 h ALA 88 CO 0.03 0.04 0.08 0.35 0.00 0.00 0.00 179.25 179.75 2kk1 h PHE 89 N 0.43 0.24 0.08 0.00 3.57 0.05 -0.53 116.94 120.78 2kk1 h PHE 89 Ca 0.20 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 2kk1 h PHE 89 Cb 0.24 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2kk1 h PHE 89 CO -0.00 0.26 -0.05 0.00 -2.23 0.00 0.00 178.31 176.30 2kk1 h ARG 90 N 0.15 -0.11 -0.56 1.11 2.47 -0.84 -0.59 114.38 116.01 2kk1 h ARG 90 Ca 0.06 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 2kk1 h ARG 90 Cb 0.11 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.43 2kk1 h ARG 90 CO -0.01 -0.08 0.22 1.05 0.56 0.00 0.00 179.97 181.71 2kk1 h GLU 91 N -0.12 0.81 -0.25 0.04 4.11 -1.37 -1.23 114.58 116.58 2kk1 h GLU 91 Ca -0.01 -0.12 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 2kk1 h GLU 91 Cb 0.10 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2kk1 h GLU 91 CO 0.01 0.67 0.05 0.00 0.07 0.00 0.00 179.01 179.81 2kk1 h ALA 92 N 1.44 0.33 -0.61 1.06 0.00 -0.87 -2.74 119.26 117.86 2kk1 h ALA 92 Ca 0.19 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2kk1 h ALA 92 Cb 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2kk1 h ALA 92 CO -0.02 -0.01 0.41 0.28 0.00 0.00 0.00 179.25 179.91 2kk1 h VAL 93 N 0.22 1.04 -0.79 0.00 2.07 -0.71 -1.25 116.25 116.82 2kk1 h VAL 93 Ca 0.08 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.42 2kk1 h VAL 93 Cb 0.30 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 2kk1 h VAL 93 CO 0.00 0.12 0.52 -1.28 0.02 0.00 0.00 177.57 176.95 2kk1 h SER 94 N 0.66 0.77 -0.46 0.57 0.87 -0.94 -1.18 113.55 113.84 2kk1 h SER 94 Ca 0.26 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.68 2kk1 h SER 94 Cb 0.18 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2kk1 h SER 94 CO -0.07 0.51 -0.22 0.11 -0.53 0.00 0.00 176.83 176.62 2kk1 h LYS 95 N 0.88 0.98 0.19 2.24 6.56 -1.08 -2.73 116.57 123.61 2kk1 h LYS 95 Ca 0.33 -0.42 -0.01 0.00 -1.06 0.00 0.00 60.65 59.49 2kk1 h LYS 95 Cb 0.18 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 2kk1 h LYS 95 CO -0.11 1.09 -0.09 1.25 -2.06 0.00 0.00 179.45 179.53 2kk1 h LEU 96 N 0.84 -0.22 -0.42 2.94 5.85 -0.92 -1.05 115.31 122.32 2kk1 h LEU 96 Ca 0.11 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2kk1 h LEU 96 Cb 0.80 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2kk1 h LEU 96 CO 0.07 -0.05 0.23 1.05 -0.34 0.00 0.00 178.44 179.39 2kk1 h GLU 97 N -0.38 0.60 -0.19 1.25 4.11 -1.33 -1.25 114.58 117.39 2kk1 h GLU 97 Ca -0.03 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.33 2kk1 h GLU 97 Cb 0.29 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2kk1 h GLU 97 CO 0.04 0.49 0.12 -0.07 0.07 0.00 0.00 179.01 179.66 2kk1 h LEU 98 N 0.55 0.23 -1.32 3.06 -0.00 -1.48 -1.48 115.31 114.86 2kk1 h LEU 98 Ca 0.15 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2kk1 h LEU 98 Cb 0.07 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.64 2kk1 h LEU 98 CO -0.02 0.20 0.41 0.28 -0.00 0.00 0.00 178.44 179.31 2kk1 h SER 99 N 0.24 0.76 -0.29 -0.43 0.02 -0.99 -1.11 113.55 111.75 2kk1 h SER 99 Ca 0.07 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2kk1 h SER 99 Cb 0.01 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2kk1 h SER 99 CO -0.01 0.57 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.07 2kk1 h LEU 100 N 0.89 0.60 -0.90 5.07 3.38 -0.98 -1.27 115.31 122.10 2kk1 h LEU 100 Ca 0.24 -0.39 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 2kk1 h LEU 100 Cb -0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2kk1 h LEU 100 CO -0.05 0.85 -0.52 0.06 0.09 0.00 0.00 178.44 178.87 2kk1 h GLN 101 N 0.34 0.00 0.15 1.13 3.07 -0.86 -2.26 115.11 116.69 2kk1 h GLN 101 Ca 0.07 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.52 2kk1 h GLN 101 Cb 0.61 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.18 2kk1 h GLN 101 CO 0.04 0.52 -1.28 1.05 0.09 0.00 0.00 178.83 179.25 2kk1 h GLU 102 N 0.00 0.34 -0.00 0.06 4.11 -1.23 -3.34 114.58 114.52 2kk1 h GLU 102 Ca -0.01 -0.57 -0.00 0.00 0.07 0.00 0.00 59.36 58.85 2kk1 h GLU 102 Cb 0.97 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kk1 h GLU 102 CO 0.07 1.27 0.00 1.25 0.07 0.00 0.00 179.01 181.67 2kk1 h LEU 103 N 0.10 0.00 -2.19 3.06 5.85 -1.10 0.02 115.31 121.05 2kk1 h LEU 103 Ca -0.16 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.52 2kk1 h LEU 103 Cb 2.00 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.02 2kk1 h LEU 103 CO 0.22 0.11 0.22 0.06 -0.34 0.00 0.00 178.44 178.71 2kk1 h GLN 104 N -0.10 0.00 0.00 1.25 3.07 -1.55 0.50 115.11 118.28 2kk1 h GLN 104 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2kk1 h GLN 104 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.66 2kk1 h GLN 104 CO -0.00 0.00 -1.39 1.33 0.09 0.00 0.00 178.83 178.86 2kk1 n VAL 105 N -3.83 0.00 -0.84 1.86 0.24 -1.13 -4.41 118.33 110.23 2kk1 n VAL 105 Ca 0.02 -0.22 0.08 0.00 -2.04 0.00 0.00 64.34 62.18 2kk1 n VAL 105 Cb 0.35 0.57 0.18 0.00 -1.47 0.00 0.00 33.84 33.47 2kk1 n VAL 105 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2kk1 n SER 106 N -1.81 3.04 0.22 -1.34 2.88 0.10 -4.79 113.62 111.92 2kk1 n SER 106 Ca 0.00 -2.84 -0.09 0.00 -1.33 0.00 0.00 58.87 54.62 2kk1 n SER 106 Cb 0.42 -0.42 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 2kk1 n SER 106 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2kk1 h SER 107 N 0.98 -0.48 0.00 -3.46 4.64 -0.33 -3.46 113.55 111.45 2kk1 h SER 107 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2kk1 h SER 107 Cb 1.12 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2kk1 h SER 107 CO 0.10 -0.30 0.00 0.00 -0.87 0.00 0.00 176.83 175.75 2kk1 n ALA 108 N -2.35 0.00 0.06 5.18 0.00 -1.26 -3.96 120.51 118.18 2kk1 n ALA 108 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.41 2kk1 n ALA 108 Cb 0.22 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.10 2kk1 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 h ALA 109 N 0.00 1.66 0.00 0.00 0.00 -1.92 -3.46 119.26 115.54 2kk1 h ALA 109 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kk1 h ALA 109 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2kk1 h ALA 109 CO 0.00 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.52 2kk1 n ALA 110 N -2.49 0.00 0.00 0.00 0.00 -1.25 -3.94 120.51 112.83 2kk1 n ALA 110 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2kk1 n ALA 110 Cb 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.95 0.04 3.69 0.00 0.00 -1.26 -1.32 105.19 104.37 2kk1 n GLY 111 Ca 0.00 -0.02 -0.51 0.00 0.00 0.00 0.00 46.02 45.49 2kk1 n GLY 111 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kk1 n VAL 112 N -0.51 0.47 -2.45 1.61 0.31 -1.25 -4.53 118.33 111.98 2kk1 n VAL 112 Ca 0.00 -0.08 -0.33 0.00 -0.01 0.00 0.00 64.34 63.92 2kk1 n VAL 112 Cb 0.00 -1.67 -0.03 0.00 -0.91 0.00 0.00 33.84 31.23 2kk1 n VAL 112 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2kk1 s PRO 113 N 3.71 3.83 0.00 5.55 0.04 -1.26 -3.94 135.00 142.93 2kk1 s PRO 113 Ca 0.93 1.15 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2kk1 s PRO 113 Cb -0.80 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 31.63 2kk1 s PRO 113 CO 0.55 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.62 2kk1 n GLY 114 N -0.90 2.57 0.25 0.56 0.00 -1.26 -4.85 105.19 101.55 2kk1 n GLY 114 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 1.27 -3.36 2.61 1.03 -1.98 -3.42 112.91 109.05 2kk1 h THR 115 Ca 0.00 -1.76 -0.64 0.00 -0.01 0.00 0.00 66.41 63.99 2kk1 h THR 115 Cb 0.00 1.68 -0.36 0.00 -1.07 0.00 0.00 68.15 68.40 2kk1 h THR 115 CO 0.00 0.57 -0.83 0.20 -0.01 0.00 0.00 175.52 175.46 2kk1 s ASN 116 N -6.97 3.46 0.58 0.00 0.01 -1.26 -5.01 114.94 105.74 2kk1 s ASN 116 Ca -0.11 -0.87 0.32 0.00 -0.71 0.00 0.00 52.86 51.49 2kk1 s ASN 116 Cb 0.10 -1.38 1.36 0.00 0.41 0.00 0.00 41.25 41.74 2kk1 s ASN 116 CO 0.89 -0.10 1.67 -0.65 -1.51 0.00 0.00 177.10 177.41 2kk1 h PRO 117 N 7.93 0.00 -1.01 -0.60 0.11 -2.00 -0.99 132.00 135.44 2kk1 h PRO 117 Ca -0.33 0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.04 2kk1 h PRO 117 Cb 1.10 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 2kk1 h PRO 117 CO 0.53 0.00 0.68 0.28 -0.21 0.00 0.00 178.00 179.28 2kk1 h VAL 118 N 0.00 0.54 -0.93 3.15 2.07 -1.97 0.28 116.25 119.39 2kk1 h VAL 118 Ca 0.44 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.94 2kk1 h VAL 118 Cb 2.18 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.15 2kk1 h VAL 118 CO -0.00 0.05 0.59 -0.07 0.02 0.00 0.00 177.57 178.15 2kk1 h LEU 119 N 0.26 0.94 -0.39 2.57 3.38 -1.57 -0.59 115.31 119.90 2kk1 h LEU 119 Ca 0.53 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.33 2kk1 h LEU 119 Cb 1.60 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 2kk1 h LEU 119 CO -0.17 0.60 -0.68 0.78 0.09 0.00 0.00 178.44 179.06 2kk1 h ASN 120 N 1.08 0.62 -0.99 -0.43 2.35 -0.67 -3.01 115.58 114.53 2kk1 h ASN 120 Ca 0.40 -0.38 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2kk1 h ASN 120 Cb 0.17 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.30 2kk1 h ASN 120 CO -0.17 1.13 0.65 0.78 -1.65 0.00 0.00 177.43 178.17 2kk1 h ASN 121 N 0.38 1.11 -0.20 5.81 4.21 -0.48 0.60 115.58 127.00 2kk1 h ASN 121 Ca -0.02 -0.02 0.02 0.00 1.21 0.00 0.00 56.30 57.48 2kk1 h ASN 121 Cb 1.26 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 38.18 2kk1 h ASN 121 CO 0.13 0.78 0.08 -0.07 -1.29 0.00 0.00 177.43 177.06 2kk1 h LEU 122 N 1.29 0.11 -0.45 1.61 3.38 -1.10 0.12 115.31 120.27 2kk1 h LEU 122 Ca 0.38 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.43 2kk1 h LEU 122 Cb -0.07 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2kk1 h LEU 122 CO -0.10 0.09 0.12 0.25 0.09 0.00 0.00 178.44 178.89 2kk1 h LEU 123 N 0.19 0.09 -0.56 1.67 5.85 -1.20 0.54 115.31 121.88 2kk1 h LEU 123 Ca 0.09 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2kk1 h LEU 123 Cb 0.04 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2kk1 h LEU 123 CO -0.07 0.08 0.33 -1.28 -0.34 0.00 0.00 178.44 177.16 2kk1 h SER 124 N 0.27 0.54 0.02 1.25 0.87 -0.64 0.12 113.55 115.97 2kk1 h SER 124 Ca 0.21 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2kk1 h SER 124 Cb 0.24 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2kk1 h SER 124 CO -0.25 0.37 -0.01 0.00 -0.53 0.00 0.00 176.83 176.41 2kk1 h VAL 126 N -0.09 1.11 -0.76 0.00 2.07 -0.72 -0.17 116.25 117.70 2kk1 h VAL 126 Ca -0.00 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 2kk1 h VAL 126 Cb 0.08 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2kk1 h VAL 126 CO 0.00 0.11 0.30 1.56 0.02 0.00 0.00 177.57 179.57 2kk1 h GLN 127 N 0.45 1.13 0.32 1.57 4.20 -0.92 -0.85 115.11 121.02 2kk1 h GLN 127 Ca 0.12 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2kk1 h GLN 127 Cb 0.00 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.60 2kk1 h GLN 127 CO -0.02 0.92 -0.15 1.49 -0.67 0.00 0.00 178.83 180.39 2kk1 h GLU 128 N 1.10 -0.41 -0.03 1.46 4.57 -0.75 -1.09 114.58 119.44 2kk1 h GLU 128 Ca 0.25 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.50 2kk1 h GLU 128 Cb 0.21 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.85 2kk1 h GLU 128 CO -0.02 -0.13 -0.21 0.82 -1.18 0.00 0.00 179.01 178.29 2kk1 h ILE 129 N -0.67 0.49 -0.61 2.32 2.04 -0.96 0.03 117.51 120.15 2kk1 h ILE 129 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2kk1 h ILE 129 Cb 0.47 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2kk1 h ILE 129 CO 0.07 0.00 0.37 0.77 0.00 0.00 0.00 178.15 179.36 2kk1 h SER 130 N -0.32 0.72 -0.33 1.72 4.64 -1.21 -2.55 113.55 116.21 2kk1 h SER 130 Ca 0.07 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 2kk1 h SER 130 Cb 0.42 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2kk1 h SER 130 CO -0.22 0.55 -0.06 -0.78 -0.87 0.00 0.00 176.83 175.46 2kk1 h ASP 131 N 0.83 0.63 -0.97 4.97 3.58 -0.60 -3.03 116.42 121.84 2kk1 h ASP 131 Ca 0.22 -0.35 0.13 0.00 0.42 0.00 0.00 57.03 57.45 2kk1 h ASP 131 Cb -0.03 -0.17 -0.08 0.00 1.72 0.00 0.00 39.33 40.76 2kk1 h ASP 131 CO -0.04 0.83 0.61 0.58 -2.88 0.00 0.00 179.24 178.34 2kk1 h VAL 132 N 0.41 0.89 0.00 2.25 2.07 -0.60 -0.05 116.25 121.22 2kk1 h VAL 132 Ca 0.09 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2kk1 h VAL 132 Cb 0.54 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2kk1 h VAL 132 CO 0.03 0.16 -0.14 0.58 0.02 0.00 0.00 177.57 178.22 2kk1 h VAL 133 N 0.89 0.58 -0.01 2.57 2.07 -1.38 -2.90 116.25 118.09 2kk1 h VAL 133 Ca 0.48 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2kk1 h VAL 133 Cb 0.57 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2kk1 h VAL 133 CO -0.25 0.14 -0.43 0.00 0.02 0.00 0.00 177.57 177.05 2kk1 n GLN 134 N -3.61 0.52 0.00 1.57 6.02 -0.06 -5.08 117.38 116.74 2kk1 n GLN 134 Ca -0.01 -0.33 0.16 0.00 -0.01 0.00 0.00 57.00 56.80 2kk1 n GLN 134 Cb 0.27 -1.49 0.93 0.00 1.02 0.00 0.00 30.24 30.97 2kk1 n GLN 134 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59