#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 -1.61 2.39 -5.12 0.00 -1.26 -5.04 105.19 94.54 2kk1 n GLY 2 Ca 0.00 0.52 -0.18 0.00 0.00 0.00 0.00 46.02 46.36 2kk1 n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kk1 n HIS 3 N -0.79 -0.38 -1.91 1.61 -0.00 -1.26 -4.91 115.22 107.58 2kk1 n HIS 3 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.32 2kk1 n HIS 3 Cb 0.00 -3.24 0.00 0.00 -0.00 0.00 0.00 29.99 26.75 2kk1 n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk1 s HIS 4 N -2.61 2.65 0.50 1.57 0.09 -1.26 -4.89 115.29 111.34 2kk1 s HIS 4 Ca 0.00 1.30 0.17 0.00 -0.00 0.00 0.00 55.06 56.53 2kk1 s HIS 4 Cb 0.00 -3.85 1.23 0.00 -0.00 0.00 0.00 32.58 29.96 2kk1 s HIS 4 CO 0.00 -2.59 2.09 1.25 -0.00 0.00 0.00 174.74 175.49 2kk1 h HIS 5 N 2.68 0.09 -3.06 1.40 6.17 -2.07 -3.36 115.15 117.01 2kk1 h HIS 5 Ca -0.50 0.00 -0.56 0.00 0.71 0.00 0.00 60.37 60.02 2kk1 h HIS 5 Cb 1.25 -0.03 -0.08 0.00 2.52 0.00 0.00 27.41 31.07 2kk1 h HIS 5 CO 0.52 0.05 0.94 -1.01 0.71 0.00 0.00 177.93 179.15 2kk1 s HIS 6 N -5.13 2.58 -0.04 5.26 3.76 -1.26 -4.83 115.29 115.63 2kk1 s HIS 6 Ca -0.06 0.29 0.18 0.00 -0.15 0.00 0.00 55.06 55.32 2kk1 s HIS 6 Cb 0.18 -4.49 -0.28 0.00 1.11 0.00 0.00 32.58 29.10 2kk1 s HIS 6 CO 0.70 -1.64 0.37 0.72 -0.85 0.00 0.00 174.74 174.04 2kk1 n HIS 7 N 8.48 0.00 -3.22 1.40 8.25 -1.26 -4.90 115.22 123.96 2kk1 n HIS 7 Ca 0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.10 2kk1 n HIS 7 Cb 0.49 -0.45 -0.08 0.00 1.12 0.00 0.00 29.99 31.07 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 -3.19 3.11 -0.32 4.41 3.76 -1.26 -5.04 115.29 116.76 2kk1 s HIS 8 Ca -0.07 -0.33 -0.25 0.00 -0.15 0.00 0.00 55.06 54.27 2kk1 s HIS 8 Cb 0.11 -3.18 0.01 0.00 1.11 0.00 0.00 32.58 30.62 2kk1 s HIS 8 CO 0.75 -0.83 0.86 -1.54 -0.85 0.00 0.00 174.74 173.13 2kk1 s SER 9 N 2.08 6.70 -0.05 1.40 1.04 -1.26 -5.03 113.70 118.59 2kk1 s SER 9 Ca 0.16 0.68 -0.02 0.00 0.48 0.00 0.00 55.95 57.25 2kk1 s SER 9 Cb -0.17 -2.44 0.03 0.00 0.10 0.00 0.00 66.02 63.55 2kk1 s SER 9 CO 0.15 -0.71 0.06 -2.28 0.98 0.00 0.00 173.24 171.44 2kk1 s HIS 10 N 3.16 0.11 0.28 5.02 5.65 -1.26 -5.14 115.29 123.11 2kk1 s HIS 10 Ca 0.35 0.21 -0.29 0.00 0.25 0.00 0.00 55.06 55.58 2kk1 s HIS 10 Cb -0.13 -0.51 -0.10 0.00 -1.18 0.00 0.00 32.58 30.66 2kk1 s HIS 10 CO 0.14 -0.21 1.14 0.00 -0.65 0.00 0.00 174.74 175.17 2kk1 s MET 11 N 2.16 4.58 0.47 2.88 0.00 -1.26 -5.05 119.30 123.07 2kk1 s MET 11 Ca 0.05 1.88 0.07 0.00 0.00 0.00 0.00 55.69 57.70 2kk1 s MET 11 Cb -0.12 -3.17 0.01 0.00 0.00 0.00 0.00 34.83 31.54 2kk1 s MET 11 CO -0.03 0.12 0.42 0.00 0.00 0.00 0.00 175.02 175.52 2kk1 s ALA 12 N -1.06 4.22 -0.04 3.16 0.00 -1.26 -5.15 121.76 121.62 2kk1 s ALA 12 Ca 0.46 -1.74 -0.07 0.00 0.00 0.00 0.00 51.96 50.61 2kk1 s ALA 12 Cb -0.33 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 21.85 2kk1 s ALA 12 CO 0.43 -0.35 0.17 0.54 0.00 0.00 0.00 175.76 176.55 2kk1 s ASN 13 N -4.22 -0.11 -0.99 0.00 2.20 -1.26 -4.86 114.94 105.70 2kk1 s ASN 13 Ca 0.45 0.16 0.00 0.00 -0.94 0.00 0.00 52.86 52.53 2kk1 s ASN 13 Cb -0.03 0.31 0.00 0.00 -2.00 0.00 0.00 41.25 39.53 2kk1 s ASN 13 CO 0.27 -0.17 0.00 0.61 -2.94 0.00 0.00 177.10 174.86 2kk1 n GLY 14 N 2.43 0.15 0.85 0.45 0.00 -1.26 -4.92 105.19 102.90 2kk1 n GLY 14 Ca -0.16 -0.44 0.11 0.00 0.00 0.00 0.00 46.02 45.53 2kk1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk1 n ALA 15 N -1.05 2.47 -2.45 4.61 0.00 -1.26 -4.90 120.51 117.93 2kk1 n ALA 15 Ca -0.13 -0.75 -0.43 0.00 0.00 0.00 0.00 53.44 52.13 2kk1 n ALA 15 Cb 0.56 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 2kk1 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 s ALA 16 N -1.65 3.38 -0.33 0.00 0.00 -1.26 -4.81 121.76 117.08 2kk1 s ALA 16 Ca 0.35 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.42 2kk1 s ALA 16 Cb 0.20 -3.77 0.17 0.00 0.00 0.00 0.00 23.12 19.72 2kk1 s ALA 16 CO 0.29 -1.75 1.15 0.41 0.00 0.00 0.00 175.76 175.86 2kk1 n GLY 17 N 4.27 -0.02 0.35 0.00 0.00 -1.26 -5.08 105.19 103.46 2kk1 n GLY 17 Ca 0.14 -0.05 -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 0.91 0.00 -0.27 2.61 2.02 -2.00 -1.35 112.91 114.84 2kk1 h THR 18 Ca -0.47 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 2kk1 h THR 18 Cb 1.25 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 2kk1 h THR 18 CO -0.16 0.00 0.00 0.07 0.37 0.00 0.00 175.52 175.80 2kk1 h LYS 19 N -0.56 0.41 -0.61 6.66 2.10 -2.02 -2.48 116.57 120.06 2kk1 h LYS 19 Ca -0.01 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 2kk1 h LYS 19 Cb 0.56 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2kk1 h LYS 19 CO -0.20 0.44 0.00 0.28 -2.00 0.00 0.00 179.45 177.97 2kk1 n VAL 20 N -4.32 1.08 0.08 0.07 0.31 -0.95 -4.49 118.33 110.10 2kk1 n VAL 20 Ca 0.01 -0.66 -0.06 0.00 -0.01 0.00 0.00 64.34 63.62 2kk1 n VAL 20 Cb 0.21 -0.10 -0.04 0.00 -0.91 0.00 0.00 33.84 33.01 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 3.37 -0.82 0.00 3.52 0.00 -0.77 -3.35 119.26 121.20 2kk1 h ALA 21 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kk1 h ALA 21 Cb 0.97 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2kk1 h ALA 21 CO 0.15 -0.85 -0.06 1.28 0.00 0.00 0.00 179.25 179.77 2kk1 n LEU 22 N -3.46 1.87 -1.44 0.00 4.77 -1.26 -4.99 117.00 112.49 2kk1 n LEU 22 Ca -0.04 -2.44 -0.18 0.00 -0.03 0.00 0.00 56.01 53.31 2kk1 n LEU 22 Cb 0.16 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 2kk1 n LEU 22 CO 0.08 0.57 -0.18 0.54 -1.33 0.00 0.00 177.39 177.07 2kk1 n ARG 23 N -0.98 -1.28 0.04 3.23 5.12 -1.26 -4.87 116.66 116.66 2kk1 n ARG 23 Ca 0.10 1.13 -0.12 0.00 -1.93 0.00 0.00 57.85 57.03 2kk1 n ARG 23 Cb 0.55 -5.42 -0.14 0.00 -1.16 0.00 0.00 32.46 26.30 2kk1 n ARG 23 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2kk1 h LYS 24 N 0.00 0.12 -7.52 5.56 1.79 -1.94 -3.47 116.57 111.11 2kk1 h LYS 24 Ca -0.38 -0.21 -0.48 0.00 -2.18 0.00 0.00 60.65 57.40 2kk1 h LYS 24 Cb 1.20 0.08 0.10 0.00 -1.58 0.00 0.00 32.23 32.03 2kk1 h LYS 24 CO 0.55 0.93 0.38 -0.08 -1.08 0.00 0.00 179.45 180.15 2kk1 s THR 25 N -2.63 2.54 0.15 -0.16 -1.32 -1.26 -5.01 115.64 107.94 2kk1 s THR 25 Ca -0.06 0.18 -0.30 0.00 -1.21 0.00 0.00 61.69 60.30 2kk1 s THR 25 Cb 0.08 -3.08 -0.07 0.00 -1.51 0.00 0.00 72.50 67.91 2kk1 s THR 25 CO 0.84 -0.23 1.15 -0.54 -2.21 0.00 0.00 174.62 173.63 2kk1 s LYS 26 N -5.40 4.53 -0.17 7.08 1.02 -1.26 -4.95 119.74 120.59 2kk1 s LYS 26 Ca 0.61 1.78 -0.05 0.00 0.02 0.00 0.00 55.97 58.32 2kk1 s LYS 26 Cb -0.12 -3.28 -0.08 0.00 -0.52 0.00 0.00 37.83 33.82 2kk1 s LYS 26 CO 0.51 -0.05 -0.19 0.00 -0.92 0.00 0.00 175.35 174.70 2kk1 n GLN 27 N 2.76 0.37 -3.67 1.68 10.64 -1.26 -5.02 117.38 122.89 2kk1 n GLN 27 Ca 0.05 0.14 -0.09 0.00 -1.83 0.00 0.00 57.00 55.27 2kk1 n GLN 27 Cb 0.46 -1.18 -0.10 0.00 -0.86 0.00 0.00 30.24 28.56 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 -2.31 -1.17 0.54 2.61 0.00 -1.26 -5.04 121.76 115.12 2kk1 s ALA 28 Ca -0.23 1.56 0.21 0.00 0.00 0.00 0.00 51.96 53.50 2kk1 s ALA 28 Cb 0.08 -1.24 1.39 0.00 0.00 0.00 0.00 23.12 23.36 2kk1 s ALA 28 CO 0.32 -0.62 2.11 0.00 0.00 0.00 0.00 175.76 177.57 2kk1 h ALA 29 N 7.86 2.09 0.00 0.00 0.00 -1.95 -0.26 119.26 127.01 2kk1 h ALA 29 Ca -0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2kk1 h ALA 29 Cb 1.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2kk1 h ALA 29 CO 0.17 -0.23 -0.17 0.93 0.00 0.00 0.00 179.25 179.95 2kk1 h GLU 30 N 0.00 0.00 0.00 0.00 3.07 -2.03 -3.21 114.58 112.40 2kk1 h GLU 30 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 2kk1 h GLU 30 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2kk1 h GLU 30 CO -0.00 0.17 -1.52 1.17 -1.40 0.00 0.00 179.01 177.43 2kk1 n LYS 31 N -3.33 0.78 -1.65 2.33 3.00 -0.21 -4.96 118.16 114.12 2kk1 n LYS 31 Ca 0.00 -0.12 -0.43 0.00 -0.00 0.00 0.00 58.31 57.76 2kk1 n LYS 31 Cb 0.39 -1.35 -0.03 0.00 0.00 0.00 0.00 35.03 34.04 2kk1 n LYS 31 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2kk1 n ILE 32 N -1.91 0.65 0.08 3.15 5.41 -0.62 -4.87 119.36 121.26 2kk1 n ILE 32 Ca -0.02 -0.20 0.05 0.00 1.00 0.00 0.00 62.75 63.59 2kk1 n ILE 32 Cb 0.38 -2.28 0.49 0.00 -0.71 0.00 0.00 39.64 37.51 2kk1 n ILE 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2kk1 h SER 33 N 11.26 0.33 -0.66 4.38 0.02 -1.92 -2.06 113.55 124.90 2kk1 h SER 33 Ca -0.48 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 60.56 2kk1 h SER 33 Cb 1.25 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 2kk1 h SER 33 CO 0.95 0.24 0.44 0.00 -1.14 0.00 0.00 176.83 177.32 2kk1 h ALA 34 N 1.82 1.94 -0.01 3.77 0.00 -1.89 -0.96 119.26 123.92 2kk1 h ALA 34 Ca 0.11 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2kk1 h ALA 34 Cb -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2kk1 h ALA 34 CO -0.02 -0.09 -0.52 0.22 0.00 0.00 0.00 179.25 178.84 2kk1 h ASP 35 N 0.51 0.03 0.83 0.00 3.58 -1.69 -2.97 116.42 116.72 2kk1 h ASP 35 Ca 0.31 -0.02 -0.16 0.00 0.42 0.00 0.00 57.03 57.57 2kk1 h ASP 35 Cb 0.52 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 2kk1 h ASP 35 CO -0.10 0.55 -0.78 0.50 -2.88 0.00 0.00 179.24 176.54 2kk1 h LYS 36 N 0.03 0.00 -5.74 0.28 3.11 -1.25 -3.41 116.57 109.58 2kk1 h LYS 36 Ca -0.00 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.52 2kk1 h LYS 36 Cb 0.93 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.11 2kk1 h LYS 36 CO 0.07 0.78 0.78 0.42 -2.81 0.00 0.00 179.45 178.69 2kk1 s ILE 37 N -3.18 3.46 0.32 2.00 -1.09 -0.89 -4.96 121.20 116.87 2kk1 s ILE 37 Ca -0.00 -0.37 -0.06 0.00 -2.23 0.00 0.00 60.65 57.99 2kk1 s ILE 37 Cb 0.11 -4.04 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 2kk1 s ILE 37 CO 0.79 -0.98 0.61 -0.44 -1.23 0.00 0.00 174.94 173.68 2kk1 s SER 38 N 7.91 6.45 0.12 3.58 0.01 -1.26 -4.75 113.70 125.77 2kk1 s SER 38 Ca 0.69 0.82 -0.33 0.00 1.31 0.00 0.00 55.95 58.43 2kk1 s SER 38 Cb -0.07 -2.19 -0.12 0.00 0.21 0.00 0.00 66.02 63.86 2kk1 s SER 38 CO -0.00 -0.26 1.56 0.50 0.41 0.00 0.00 173.24 175.44 2kk1 h LYS 39 N 1.51 -0.55 -0.76 12.44 3.64 -1.99 -1.65 116.57 129.21 2kk1 h LYS 39 Ca -0.48 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.05 2kk1 h LYS 39 Cb 1.19 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 33.08 2kk1 h LYS 39 CO 0.65 -0.37 0.50 1.05 -2.27 0.00 0.00 179.45 179.01 2kk1 h GLU 40 N -0.57 0.59 -0.23 1.90 4.11 -1.99 -0.56 114.58 117.83 2kk1 h GLU 40 Ca 0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 2kk1 h GLU 40 Cb 0.68 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2kk1 h GLU 40 CO -0.44 0.39 0.11 0.00 0.07 0.00 0.00 179.01 179.14 2kk1 h ALA 41 N 1.63 0.30 -0.48 1.06 0.00 -1.73 -0.26 119.26 119.77 2kk1 h ALA 41 Ca 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2kk1 h ALA 41 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2kk1 h ALA 41 CO -0.13 -0.15 0.17 1.25 0.00 0.00 0.00 179.25 180.39 2kk1 h LEU 42 N 0.24 0.69 -0.05 0.00 6.46 -0.48 -1.88 115.31 120.29 2kk1 h LEU 42 Ca 0.08 -0.19 0.01 0.00 -0.12 0.00 0.00 57.88 57.66 2kk1 h LEU 42 Cb 0.11 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 2kk1 h LEU 42 CO -0.01 0.69 -0.03 -0.07 -0.62 0.00 0.00 178.44 178.41 2kk1 h LEU 43 N 0.64 -0.09 -0.04 2.25 3.38 -0.95 -0.50 115.31 120.00 2kk1 h LEU 43 Ca 0.16 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2kk1 h LEU 43 Cb 0.24 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2kk1 h LEU 43 CO -0.01 -0.04 0.02 -0.33 0.09 0.00 0.00 178.44 178.18 2kk1 h GLU 44 N -0.03 0.05 -0.63 1.13 4.39 -1.00 0.40 114.58 118.89 2kk1 h GLU 44 Ca 0.03 -0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.79 2kk1 h GLU 44 Cb 0.07 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 2kk1 h GLU 44 CO -0.06 0.05 0.32 0.00 -1.16 0.00 0.00 179.01 178.16 2kk1 h ALA 46 N 1.36 0.89 -0.92 0.00 0.00 -0.87 -2.98 119.26 116.73 2kk1 h ALA 46 Ca 0.29 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2kk1 h ALA 46 Cb 0.24 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2kk1 h ALA 46 CO -0.21 0.65 0.60 0.22 0.00 0.00 0.00 179.25 180.51 2kk1 h ASP 47 N 0.35 0.98 -0.61 0.00 3.58 0.72 -0.71 116.42 120.74 2kk1 h ASP 47 Ca 0.02 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.50 2kk1 h ASP 47 Cb 0.94 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.73 2kk1 h ASP 47 CO 0.08 0.66 0.37 -0.07 -2.88 0.00 0.00 179.24 177.40 2kk1 h LEU 48 N 1.13 0.59 0.27 2.28 3.38 -1.06 0.06 115.31 121.96 2kk1 h LEU 48 Ca 0.37 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 2kk1 h LEU 48 Cb 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2kk1 h LEU 48 CO -0.12 0.41 -0.13 -0.07 0.09 0.00 0.00 178.44 178.62 2kk1 h LEU 49 N 0.72 -0.31 -0.94 1.67 4.07 -1.34 0.13 115.31 119.30 2kk1 h LEU 49 Ca 0.25 -0.04 0.13 0.00 0.08 0.00 0.00 57.88 58.30 2kk1 h LEU 49 Cb 0.04 0.08 -0.09 0.00 1.08 0.00 0.00 40.66 41.78 2kk1 h LEU 49 CO -0.11 -0.16 0.56 -1.28 -1.08 0.00 0.00 178.44 176.37 2kk1 h SER 50 N -0.44 0.79 0.01 -0.43 0.87 -0.88 -1.21 113.55 112.26 2kk1 h SER 50 Ca -0.04 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 2kk1 h SER 50 Cb 0.33 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2kk1 h SER 50 CO 0.06 0.40 -0.38 -1.28 -0.53 0.00 0.00 176.83 175.10 2kk1 h SER 51 N 0.86 0.31 0.11 6.23 0.87 -0.91 -3.32 113.55 117.71 2kk1 h SER 51 Ca 0.48 -0.81 -0.01 0.00 -1.23 0.00 0.00 61.79 60.22 2kk1 h SER 51 Cb 0.55 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2kk1 h SER 51 CO -0.29 1.08 -0.06 0.00 -0.53 0.00 0.00 176.83 177.02 2kk1 h ALA 52 N 0.24 1.61 0.00 6.23 0.00 -0.35 -0.69 119.26 126.30 2kk1 h ALA 52 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kk1 h ALA 52 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2kk1 h ALA 52 CO 0.07 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.68 2kk1 n LEU 53 N -4.05 0.00 -0.11 0.00 4.77 -0.49 -3.45 117.00 113.67 2kk1 n LEU 53 Ca -0.03 0.40 -0.21 0.00 -0.03 0.00 0.00 56.01 56.14 2kk1 n LEU 53 Cb 0.15 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 40.75 2kk1 n LEU 53 CO 0.31 -0.13 -0.77 0.35 -1.33 0.00 0.00 177.39 175.82 2kk1 n THR 54 N -1.40 1.52 -1.44 -5.08 -2.24 -0.27 -4.64 114.28 100.72 2kk1 n THR 54 Ca 0.07 -0.08 -0.31 0.00 -2.27 0.00 0.00 64.05 61.46 2kk1 n THR 54 Cb 0.20 -2.06 0.07 0.00 -2.10 0.00 0.00 70.33 66.44 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 -2.42 2.55 -0.12 -0.78 -1.05 -1.18 -4.93 118.70 110.76 2kk1 s GLU 55 Ca -0.30 1.01 -0.29 0.00 -0.15 0.00 0.00 54.97 55.23 2kk1 s GLU 55 Cb 0.08 -1.94 -0.02 0.00 -0.44 0.00 0.00 34.13 31.80 2kk1 s GLU 55 CO 0.50 -1.39 1.29 -2.14 0.95 0.00 0.00 175.26 174.47 2kk1 s PRO 56 N -5.00 4.26 0.04 -4.83 0.02 -1.26 -4.79 135.00 123.44 2kk1 s PRO 56 Ca 0.60 1.72 -0.04 0.00 0.02 0.00 0.00 61.00 63.30 2kk1 s PRO 56 Cb -0.15 -3.72 -0.02 0.00 0.02 0.00 0.00 34.50 30.63 2kk1 s PRO 56 CO 0.55 -0.65 0.07 0.14 -0.33 0.00 0.00 177.00 176.78 2kk1 s VAL 57 N 3.19 0.15 0.15 3.83 -7.23 -1.26 -5.01 120.40 114.21 2kk1 s VAL 57 Ca 0.57 -1.23 -0.31 0.00 -1.81 0.00 0.00 61.98 59.19 2kk1 s VAL 57 Cb -0.24 -1.01 -0.10 0.00 0.56 0.00 0.00 36.38 35.59 2kk1 s VAL 57 CO 0.18 -0.68 1.67 -2.16 -0.31 0.00 0.00 175.10 173.80 2kk1 s PRO 58 N -2.90 4.18 0.46 4.82 0.04 -1.26 -4.13 135.00 136.21 2kk1 s PRO 58 Ca -0.02 2.46 0.16 0.00 0.04 0.00 0.00 61.00 63.64 2kk1 s PRO 58 Cb 0.01 -3.32 1.13 0.00 0.04 0.00 0.00 34.50 32.36 2kk1 s PRO 58 CO -0.06 -0.71 2.01 -0.91 0.04 0.00 0.00 177.00 177.36 2kk1 h ASN 59 N 7.49 0.25 -0.98 6.66 4.21 -1.81 0.13 115.58 131.53 2kk1 h ASN 59 Ca -0.43 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.14 2kk1 h ASN 59 Cb 1.21 -0.05 -0.07 0.00 -1.12 0.00 0.00 38.32 38.29 2kk1 h ASN 59 CO 0.93 0.15 0.63 0.28 -1.29 0.00 0.00 177.43 178.13 2kk1 h SER 60 N 0.27 1.01 -0.35 5.81 0.02 -1.89 -1.53 113.55 116.89 2kk1 h SER 60 Ca 0.23 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 2kk1 h SER 60 Cb 0.56 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2kk1 h SER 60 CO -0.05 0.65 0.14 -0.61 -1.14 0.00 0.00 176.83 175.82 2kk1 h GLN 61 N 1.15 0.52 -0.65 3.45 4.15 -1.12 -0.73 115.11 121.88 2kk1 h GLN 61 Ca 0.42 -0.09 0.07 0.00 0.77 0.00 0.00 58.65 59.82 2kk1 h GLN 61 Cb 0.15 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.70 2kk1 h GLN 61 CO -0.17 0.51 0.33 -0.07 -1.93 0.00 0.00 178.83 177.50 2kk1 h LEU 62 N 0.42 0.46 -0.31 -2.39 3.38 -1.10 0.14 115.31 115.90 2kk1 h LEU 62 Ca 0.12 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2kk1 h LEU 62 Cb 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2kk1 h LEU 62 CO -0.01 0.29 -0.08 0.58 0.09 0.00 0.00 178.44 179.30 2kk1 h VAL 63 N 0.60 1.28 0.35 1.22 2.07 -1.12 0.33 116.25 120.98 2kk1 h VAL 63 Ca 0.30 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2kk1 h VAL 63 Cb 0.25 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2kk1 h VAL 63 CO -0.22 0.36 -0.17 -0.78 0.02 0.00 0.00 177.57 176.79 2kk1 h ASP 64 N 0.38 -0.40 -0.25 0.57 3.58 -0.76 0.17 116.42 119.71 2kk1 h ASP 64 Ca 0.08 -0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.35 2kk1 h ASP 64 Cb 0.57 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 2kk1 h ASP 64 CO 0.03 -0.06 0.05 0.74 -2.88 0.00 0.00 179.24 177.12 2kk1 h THR 65 N -0.76 1.18 -0.01 2.25 2.02 -0.83 -2.65 112.91 114.09 2kk1 h THR 65 Ca -0.05 -0.66 -0.16 0.00 0.77 0.00 0.00 66.41 66.31 2kk1 h THR 65 Cb 0.51 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 2kk1 h THR 65 CO 0.08 0.23 -0.74 1.23 0.37 0.00 0.00 175.52 176.69 2kk1 h GLY 66 N 0.77 0.11 1.42 2.16 0.00 -0.86 -3.30 103.07 103.38 2kk1 h GLY 66 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 2kk1 h GLY 66 CO 0.00 0.15 0.26 0.84 0.00 0.00 0.00 176.54 177.79 2kk1 h HIS 67 N 0.07 0.74 0.00 5.60 6.17 -0.28 -1.96 115.15 125.49 2kk1 h HIS 67 Ca -0.02 -0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.03 2kk1 h HIS 67 Cb 1.30 -0.24 -0.00 0.00 2.52 0.00 0.00 27.41 30.99 2kk1 h HIS 67 CO 0.01 0.55 -0.07 -0.56 0.71 0.00 0.00 177.93 178.57 2kk1 h GLN 68 N 0.75 0.00 0.00 5.26 3.07 -1.63 -1.33 115.11 121.23 2kk1 h GLN 68 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.92 2kk1 h GLN 68 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.64 2kk1 h GLN 68 CO -0.02 0.07 -0.02 -0.07 0.09 0.00 0.00 178.83 178.87 2kk1 h LEU 69 N 0.00 0.00 -0.51 0.06 -0.00 -1.53 -1.36 115.31 111.97 2kk1 h LEU 69 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.81 2kk1 h LEU 69 Cb 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.91 2kk1 h LEU 69 CO 0.01 0.02 0.06 -0.07 -0.00 0.00 0.00 178.44 178.47 2kk1 h LEU 70 N 0.00 0.84 -0.22 1.67 -0.00 -1.37 0.21 115.31 116.43 2kk1 h LEU 70 Ca -0.00 -0.27 -0.03 0.00 -0.00 0.00 0.00 57.88 57.57 2kk1 h LEU 70 Cb 0.05 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 2kk1 h LEU 70 CO 0.00 0.90 0.01 -0.78 -0.00 0.00 0.00 178.44 178.58 2kk1 h ASP 71 N 0.74 0.37 -0.12 -0.43 1.82 -1.42 -0.23 116.42 117.16 2kk1 h ASP 71 Ca 0.15 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 2kk1 h ASP 71 Cb 0.43 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 2kk1 h ASP 71 CO 0.01 0.57 0.08 1.88 -1.61 0.00 0.00 179.24 180.17 2kk1 h TYR 72 N 0.16 0.16 -0.44 0.28 -1.99 -1.23 -2.20 116.97 111.71 2kk1 h TYR 72 Ca 0.06 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.77 2kk1 h TYR 72 Cb 0.37 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 2kk1 h TYR 72 CO 0.03 0.12 0.15 0.00 -0.00 0.00 0.00 178.16 178.47 2kk1 h SER 74 N 0.56 0.00 0.14 0.00 4.64 -0.99 -1.23 113.55 116.67 2kk1 h SER 74 Ca 0.14 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.17 2kk1 h SER 74 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2kk1 h SER 74 CO -0.01 0.16 -1.51 1.23 -0.87 0.00 0.00 176.83 175.83 2kk1 h GLY 75 N 0.64 0.33 1.33 -0.77 0.00 -1.08 -3.39 103.07 100.14 2kk1 h GLY 75 Ca -0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 47.33 46.44 2kk1 h GLY 75 CO 0.02 0.74 0.18 -1.82 0.00 0.00 0.00 176.54 175.66 2kk1 h TYR 76 N -0.18 0.86 -0.07 5.60 3.20 -0.31 -2.63 116.97 123.44 2kk1 h TYR 76 Ca -0.31 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.51 2kk1 h TYR 76 Cb 1.86 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.87 2kk1 h TYR 76 CO 0.12 0.70 0.06 -0.24 -1.64 0.00 0.00 178.16 177.16 2kk1 h VAL 77 N 0.82 0.71 -0.55 1.81 3.04 -1.41 -0.91 116.25 119.76 2kk1 h VAL 77 Ca 0.19 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.90 2kk1 h VAL 77 Cb 0.24 0.95 -0.03 0.00 -2.01 0.00 0.00 31.29 30.45 2kk1 h VAL 77 CO -0.01 0.00 0.36 -0.78 -1.01 0.00 0.00 177.57 176.14 2kk1 h ASP 78 N 0.00 0.56 -0.26 3.17 1.82 -1.66 -2.07 116.42 117.99 2kk1 h ASP 78 Ca 0.03 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2kk1 h ASP 78 Cb 0.16 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.03 2kk1 h ASP 78 CO -0.00 0.39 0.00 0.00 -1.61 0.00 0.00 179.24 178.02 2kk1 s ILE 80 N -1.66 4.89 -0.20 0.00 1.01 -0.78 -4.90 121.20 119.57 2kk1 s ILE 80 Ca 0.29 -0.67 0.16 0.00 0.00 0.00 0.00 60.65 60.43 2kk1 s ILE 80 Cb 0.16 -4.34 0.10 0.00 0.01 0.00 0.00 42.46 38.39 2kk1 s ILE 80 CO 0.22 -0.87 1.46 1.55 0.00 0.00 0.00 174.94 177.30 2kk1 h PRO 81 N 9.03 0.00 -5.92 2.79 0.13 -1.87 -3.44 132.00 132.72 2kk1 h PRO 81 Ca -0.28 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.35 2kk1 h PRO 81 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2kk1 h PRO 81 CO 0.99 0.43 1.41 -0.65 -0.23 0.00 0.00 178.00 179.95 2kk1 s GLN 82 N -3.00 2.55 0.25 0.86 1.11 -1.26 -4.85 119.66 115.32 2kk1 s GLN 82 Ca 0.04 0.82 -0.04 0.00 0.01 0.00 0.00 55.36 56.19 2kk1 s GLN 82 Cb 0.07 -4.42 0.30 0.00 -1.01 0.00 0.00 33.01 27.95 2kk1 s GLN 82 CO 0.74 -2.81 1.83 1.15 0.01 0.00 0.00 175.29 176.21 2kk1 h THR 83 N 7.05 1.24 -0.18 -0.19 2.02 -1.98 0.91 112.91 121.78 2kk1 h THR 83 Ca -0.26 -0.74 0.04 0.00 0.77 0.00 0.00 66.41 66.22 2kk1 h THR 83 Cb 1.18 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 2kk1 h THR 83 CO 1.20 0.30 -0.05 0.03 0.37 0.00 0.00 175.52 177.37 2kk1 h ARG 84 N 1.02 -0.00 -0.35 6.66 2.47 -1.99 -0.02 114.38 122.17 2kk1 h ARG 84 Ca 0.24 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.90 2kk1 h ARG 84 Cb 0.18 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 2kk1 h ARG 84 CO -0.02 -0.00 -0.00 -0.91 0.56 0.00 0.00 179.97 179.59 2kk1 h ASN 85 N -0.00 0.61 -0.94 7.04 4.21 -1.88 -3.02 115.58 121.59 2kk1 h ASN 85 Ca 0.09 -0.31 0.09 0.00 1.21 0.00 0.00 56.30 57.38 2kk1 h ASN 85 Cb 0.14 -0.16 -0.08 0.00 -1.12 0.00 0.00 38.32 37.10 2kk1 h ASN 85 CO -0.19 0.77 0.59 0.50 -1.29 0.00 0.00 177.43 177.80 2kk1 h LYS 86 N 0.43 0.96 0.34 0.81 3.64 -0.49 0.32 116.57 122.58 2kk1 h LYS 86 Ca 0.10 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2kk1 h LYS 86 Cb 0.46 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2kk1 h LYS 86 CO 0.02 0.64 -0.20 0.35 -2.27 0.00 0.00 179.45 177.99 2kk1 h PHE 87 N 0.99 -0.51 -0.62 1.91 3.57 -0.97 0.12 116.94 121.44 2kk1 h PHE 87 Ca 0.44 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 2kk1 h PHE 87 Cb 0.34 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2kk1 h PHE 87 CO -0.02 -0.31 0.29 0.00 -2.23 0.00 0.00 178.31 176.04 2kk1 h ALA 88 N 0.13 1.35 -0.10 2.41 0.00 -1.28 -1.43 119.26 120.35 2kk1 h ALA 88 Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2kk1 h ALA 88 Cb 0.41 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kk1 h ALA 88 CO 0.05 0.50 0.01 0.35 0.00 0.00 0.00 179.25 180.16 2kk1 h PHE 89 N 0.87 0.18 -0.65 0.00 3.57 -0.16 -0.32 116.94 120.44 2kk1 h PHE 89 Ca 0.22 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 2kk1 h PHE 89 Cb 0.10 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2kk1 h PHE 89 CO 0.01 0.40 0.19 0.00 -2.23 0.00 0.00 178.31 176.68 2kk1 h ARG 90 N -0.09 1.01 -0.28 1.11 2.47 -0.57 -1.18 114.38 116.86 2kk1 h ARG 90 Ca 0.03 -0.22 -0.19 0.00 -1.26 0.00 0.00 59.98 58.34 2kk1 h ARG 90 Cb 0.32 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2kk1 h ARG 90 CO 0.00 0.89 -0.57 1.05 0.56 0.00 0.00 179.97 181.91 2kk1 h GLU 91 N 0.94 0.87 -0.30 0.04 4.11 -1.26 -2.52 114.58 116.47 2kk1 h GLU 91 Ca 0.21 -0.57 -0.01 0.00 0.07 0.00 0.00 59.36 59.06 2kk1 h GLU 91 Cb 0.31 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2kk1 h GLU 91 CO -0.00 1.20 0.15 0.00 0.07 0.00 0.00 179.01 180.42 2kk1 h ALA 92 N 0.67 0.38 -0.59 1.06 0.00 -0.95 -2.40 119.26 117.43 2kk1 h ALA 92 Ca 0.01 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2kk1 h ALA 92 Cb 1.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2kk1 h ALA 92 CO 0.13 -0.06 0.39 0.28 0.00 0.00 0.00 179.25 179.98 2kk1 h VAL 93 N 0.35 1.03 -0.07 0.00 2.07 -1.23 -2.11 116.25 116.28 2kk1 h VAL 93 Ca 0.10 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.43 2kk1 h VAL 93 Cb 0.11 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2kk1 h VAL 93 CO -0.01 0.11 -0.06 -1.28 0.02 0.00 0.00 177.57 176.35 2kk1 h SER 94 N 0.62 -0.18 -0.57 0.57 0.87 -0.97 -0.95 113.55 112.94 2kk1 h SER 94 Ca 0.25 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.87 2kk1 h SER 94 Cb 0.19 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 2kk1 h SER 94 CO -0.07 -0.08 0.38 0.11 -0.53 0.00 0.00 176.83 176.64 2kk1 h LYS 95 N -0.07 0.68 0.18 2.24 6.56 -1.13 -1.84 116.57 123.19 2kk1 h LYS 95 Ca 0.05 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 2kk1 h LYS 95 Cb 0.14 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.65 2kk1 h LYS 95 CO -0.12 0.45 -0.09 1.25 -2.06 0.00 0.00 179.45 178.89 2kk1 h LEU 96 N 0.70 -0.21 -0.69 2.94 5.85 -0.75 -0.41 115.31 122.73 2kk1 h LEU 96 Ca 0.22 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2kk1 h LEU 96 Cb 0.03 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2kk1 h LEU 96 CO -0.06 0.05 0.27 1.05 -0.34 0.00 0.00 178.44 179.41 2kk1 h GLU 97 N -0.47 1.04 -0.14 1.25 4.11 -0.99 0.33 114.58 119.70 2kk1 h GLU 97 Ca -0.03 -0.19 -0.00 0.00 0.07 0.00 0.00 59.36 59.21 2kk1 h GLU 97 Cb 0.36 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2kk1 h GLU 97 CO 0.04 0.87 0.08 -0.07 0.07 0.00 0.00 179.01 179.99 2kk1 h LEU 98 N 0.99 0.18 -1.24 3.06 -0.00 -1.35 -2.03 115.31 114.92 2kk1 h LEU 98 Ca 0.23 -0.09 -0.07 0.00 -0.00 0.00 0.00 57.88 57.95 2kk1 h LEU 98 Cb 0.22 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.82 2kk1 h LEU 98 CO -0.02 0.22 -0.36 -1.28 -0.00 0.00 0.00 178.44 177.00 2kk1 h SER 99 N 0.12 0.00 -0.09 -0.43 0.87 -0.79 -1.87 113.55 111.37 2kk1 h SER 99 Ca 0.05 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 2kk1 h SER 99 Cb 0.08 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2kk1 h SER 99 CO -0.01 0.36 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.45 2kk1 h LEU 100 N 0.00 0.26 -0.85 2.23 3.38 -0.82 -2.09 115.31 117.42 2kk1 h LEU 100 Ca -0.00 -0.53 -0.11 0.00 0.09 0.00 0.00 57.88 57.33 2kk1 h LEU 100 Cb 0.70 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2kk1 h LEU 100 CO 0.05 0.74 -0.32 0.06 0.09 0.00 0.00 178.44 179.06 2kk1 h GLN 101 N -0.21 0.48 -0.02 1.13 3.07 -1.20 -2.70 115.11 115.66 2kk1 h GLN 101 Ca 0.01 -0.21 -0.20 0.00 0.09 0.00 0.00 58.65 58.34 2kk1 h GLN 101 Cb 0.68 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.22 2kk1 h GLN 101 CO 0.03 0.75 -0.85 1.05 0.09 0.00 0.00 178.83 179.89 2kk1 h GLU 102 N 0.42 0.34 0.46 0.06 4.11 -1.43 -3.30 114.58 115.24 2kk1 h GLU 102 Ca 0.05 -0.34 -0.02 0.00 0.07 0.00 0.00 59.36 59.12 2kk1 h GLU 102 Cb 0.76 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2kk1 h GLU 102 CO 0.06 1.01 -0.22 1.25 0.07 0.00 0.00 179.01 181.18 2kk1 h LEU 103 N 0.20 -0.53 -1.95 3.06 5.85 -1.19 0.20 115.31 120.96 2kk1 h LEU 103 Ca -0.05 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.80 2kk1 h LEU 103 Cb 1.47 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 2kk1 h LEU 103 CO 0.14 -0.35 0.36 0.06 -0.34 0.00 0.00 178.44 178.30 2kk1 h GLN 104 N -0.66 0.06 0.00 1.25 3.07 -1.59 0.97 115.11 118.21 2kk1 h GLN 104 Ca -0.06 -0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.44 2kk1 h GLN 104 Cb 0.49 -0.01 -0.04 0.00 0.08 0.00 0.00 27.48 28.00 2kk1 h GLN 104 CO 0.10 0.04 -1.80 1.33 0.09 0.00 0.00 178.83 178.60 2kk1 n VAL 105 N -4.41 1.22 -0.42 1.86 0.24 -1.15 -4.21 118.33 111.46 2kk1 n VAL 105 Ca 0.09 -0.74 0.10 0.00 -2.04 0.00 0.00 64.34 61.75 2kk1 n VAL 105 Cb 0.54 -0.66 0.30 0.00 -1.47 0.00 0.00 33.84 32.54 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 -2.82 3.95 0.32 -1.34 2.88 0.69 -4.59 113.62 112.71 2kk1 n SER 106 Ca -0.17 -2.15 -0.17 0.00 -1.33 0.00 0.00 58.87 55.06 2kk1 n SER 106 Cb 0.94 -0.46 -0.09 0.00 -0.75 0.00 0.00 64.21 63.86 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 3.70 -0.67 -0.48 -3.46 4.64 0.76 -3.46 113.55 114.58 2kk1 h SER 107 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 2kk1 h SER 107 Cb 1.07 0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 63.25 2kk1 h SER 107 CO 0.07 -0.44 -0.19 0.00 -0.87 0.00 0.00 176.83 175.40 2kk1 n ALA 108 N -2.47 -0.15 -3.26 5.18 0.00 -1.26 -4.93 120.51 113.62 2kk1 n ALA 108 Ca -0.13 0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 2kk1 n ALA 108 Cb 0.33 -1.68 -0.08 0.00 0.00 0.00 0.00 19.45 18.02 2kk1 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 s ALA 109 N -1.94 -0.88 0.11 0.00 0.00 -1.26 -5.04 121.76 112.75 2kk1 s ALA 109 Ca 0.00 0.42 0.22 0.00 0.00 0.00 0.00 51.96 52.60 2kk1 s ALA 109 Cb 0.00 0.07 0.79 0.00 0.00 0.00 0.00 23.12 23.98 2kk1 s ALA 109 CO 0.00 -0.27 1.77 0.00 0.00 0.00 0.00 175.76 177.26 2kk1 h ALA 110 N 3.77 0.99 0.00 0.00 0.00 -1.97 -3.43 119.26 118.62 2kk1 h ALA 110 Ca -0.29 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2kk1 h ALA 110 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2kk1 h ALA 110 CO 0.40 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.40 2kk1 n GLY 111 N 0.27 -1.27 3.29 0.00 0.00 -1.26 -3.27 105.19 102.95 2kk1 n GLY 111 Ca 0.00 0.63 -0.33 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 2.88 0.04 1.61 1.01 -1.26 -4.44 120.40 120.24 2kk1 s VAL 112 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 2kk1 s VAL 112 Cb 0.00 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 2kk1 s VAL 112 CO 0.00 0.50 1.90 -2.16 0.00 0.00 0.00 175.10 175.34 2kk1 s PRO 113 N 0.86 4.15 -1.93 2.72 0.04 -1.26 -2.55 135.00 137.03 2kk1 s PRO 113 Ca -0.04 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.56 2kk1 s PRO 113 Cb -0.15 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2kk1 s PRO 113 CO -0.00 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.53 2kk1 n GLY 114 N 4.43 0.86 0.25 0.56 0.00 -1.26 -4.90 105.19 105.13 2kk1 n GLY 114 Ca 0.19 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 1.26 -4.20 2.61 1.03 -1.93 -3.44 112.91 108.24 2kk1 h THR 115 Ca -0.44 -1.06 -0.69 0.00 -0.01 0.00 0.00 66.41 64.21 2kk1 h THR 115 Cb 1.32 1.02 -0.31 0.00 -1.07 0.00 0.00 68.15 69.11 2kk1 h THR 115 CO 0.58 0.37 -0.89 0.20 -0.01 0.00 0.00 175.52 175.77 2kk1 s ASN 116 N -6.32 3.07 0.52 0.00 0.01 -1.26 -5.02 114.94 105.93 2kk1 s ASN 116 Ca -0.13 -0.50 0.30 0.00 -0.71 0.00 0.00 52.86 51.82 2kk1 s ASN 116 Cb 0.11 -0.68 1.42 0.00 0.41 0.00 0.00 41.25 42.51 2kk1 s ASN 116 CO 0.81 0.27 1.88 -0.65 -1.51 0.00 0.00 177.10 177.90 2kk1 h PRO 117 N 5.88 0.07 -0.76 -0.60 0.11 -2.00 -0.85 132.00 133.85 2kk1 h PRO 117 Ca -0.35 -0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.94 2kk1 h PRO 117 Cb 1.16 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2kk1 h PRO 117 CO 0.47 0.04 0.53 0.28 -0.21 0.00 0.00 178.00 179.11 2kk1 h VAL 118 N 0.07 0.69 -0.68 3.15 2.07 -1.97 0.36 116.25 119.94 2kk1 h VAL 118 Ca 0.45 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.89 2kk1 h VAL 118 Cb 1.66 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2kk1 h VAL 118 CO -0.04 0.03 0.35 -0.07 0.02 0.00 0.00 177.57 177.86 2kk1 h LEU 119 N 0.18 0.87 -0.63 2.57 3.38 -1.53 -0.59 115.31 119.56 2kk1 h LEU 119 Ca 0.37 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 2kk1 h LEU 119 Cb 1.19 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2kk1 h LEU 119 CO -0.07 0.74 -0.49 0.78 0.09 0.00 0.00 178.44 179.50 2kk1 h ASN 120 N 0.94 0.54 -0.64 -0.43 4.21 -1.12 -1.95 115.58 117.14 2kk1 h ASN 120 Ca 0.24 -0.27 -0.06 0.00 1.21 0.00 0.00 56.30 57.42 2kk1 h ASN 120 Cb 0.08 -0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.10 2kk1 h ASN 120 CO -0.03 0.94 0.18 0.78 -1.29 0.00 0.00 177.43 178.01 2kk1 h ASN 121 N 0.40 0.96 -0.05 5.81 2.35 -0.96 0.88 115.58 124.97 2kk1 h ASN 121 Ca 0.02 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2kk1 h ASN 121 Cb 1.00 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 39.11 2kk1 h ASN 121 CO 0.09 0.92 0.03 -0.07 -1.65 0.00 0.00 177.43 176.75 2kk1 h LEU 122 N 0.99 0.05 -0.66 1.61 3.38 -0.98 -1.34 115.31 118.36 2kk1 h LEU 122 Ca 0.21 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.28 2kk1 h LEU 122 Cb 0.32 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 2kk1 h LEU 122 CO -0.00 0.05 0.25 0.25 0.09 0.00 0.00 178.44 179.08 2kk1 h LEU 123 N 0.05 0.24 -0.20 1.67 5.85 -0.87 0.91 115.31 122.97 2kk1 h LEU 123 Ca 0.02 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2kk1 h LEU 123 Cb 0.00 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2kk1 h LEU 123 CO -0.00 0.13 0.04 -1.28 -0.34 0.00 0.00 178.44 176.99 2kk1 h SER 124 N 0.43 0.01 -0.67 1.25 0.87 -0.66 -0.54 113.55 114.25 2kk1 h SER 124 Ca 0.34 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.95 2kk1 h SER 124 Cb 0.45 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 2kk1 h SER 124 CO -0.34 0.04 0.43 0.00 -0.53 0.00 0.00 176.83 176.42 2kk1 h VAL 126 N 0.85 1.09 -0.36 0.00 2.07 -0.61 0.35 116.25 119.63 2kk1 h VAL 126 Ca 0.26 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2kk1 h VAL 126 Cb -0.04 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2kk1 h VAL 126 CO -0.08 0.08 0.17 1.56 0.02 0.00 0.00 177.57 179.31 2kk1 h GLN 127 N 0.07 0.50 0.25 1.57 4.20 -0.83 -1.61 115.11 119.27 2kk1 h GLN 127 Ca 0.04 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2kk1 h GLN 127 Cb 0.08 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2kk1 h GLN 127 CO -0.01 0.40 -0.12 1.49 -0.67 0.00 0.00 178.83 179.92 2kk1 h GLU 128 N 0.51 -0.33 0.18 1.46 4.57 -0.38 -2.57 114.58 118.02 2kk1 h GLU 128 Ca 0.13 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2kk1 h GLU 128 Cb 0.07 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2kk1 h GLU 128 CO -0.02 0.03 -0.13 0.82 -1.18 0.00 0.00 179.01 178.53 2kk1 h ILE 129 N -0.81 0.71 -0.91 2.32 2.04 -0.85 -0.90 117.51 119.12 2kk1 h ILE 129 Ca -0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.92 2kk1 h ILE 129 Cb 0.51 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 2kk1 h ILE 129 CO 0.06 0.00 0.55 0.77 0.00 0.00 0.00 178.15 179.53 2kk1 h SER 130 N -0.32 0.83 -0.05 1.72 4.64 -1.42 -0.98 113.55 117.96 2kk1 h SER 130 Ca -0.01 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2kk1 h SER 130 Cb 0.28 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2kk1 h SER 130 CO -0.00 0.48 0.04 -0.78 -0.87 0.00 0.00 176.83 175.69 2kk1 h ASP 131 N 0.93 0.06 -0.79 4.97 3.58 -1.11 -1.68 116.42 122.39 2kk1 h ASP 131 Ca 0.43 -0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.96 2kk1 h ASP 131 Cb 0.35 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.33 2kk1 h ASP 131 CO -0.23 0.05 0.52 0.58 -2.88 0.00 0.00 179.24 177.27 2kk1 h VAL 132 N 0.07 0.98 -0.27 2.25 2.07 -0.30 -0.49 116.25 120.55 2kk1 h VAL 132 Ca 0.02 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 2kk1 h VAL 132 Cb -0.00 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2kk1 h VAL 132 CO -0.00 0.14 -0.25 0.58 0.02 0.00 0.00 177.57 178.06 2kk1 h VAL 133 N 0.77 1.27 0.00 2.57 2.07 -0.87 -3.00 116.25 119.05 2kk1 h VAL 133 Ca 0.36 -1.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.49 2kk1 h VAL 133 Cb 0.37 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2kk1 h VAL 133 CO -0.13 0.41 -0.52 1.56 0.02 0.00 0.00 177.57 178.90 2kk1 h GLN 134 N 0.46 0.00 0.00 1.57 4.20 -0.17 -3.52 115.11 117.65 2kk1 h GLN 134 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2kk1 h GLN 134 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2kk1 h GLN 134 CO 0.05 0.52 0.00 0.54 -0.67 0.00 0.00 178.83 179.27