#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 -0.31 -1.38 -5.12 0.00 -1.26 -5.06 107.32 94.19 2kk1 s GLY 2 Ca 0.00 0.46 -0.12 0.00 0.00 0.00 0.00 44.72 45.06 2kk1 s GLY 2 CO 0.00 0.10 2.08 1.57 0.00 0.00 0.00 173.10 176.85 2kk1 n HIS 3 N -0.43 3.22 0.00 1.90 -0.00 -1.26 -4.55 115.22 114.10 2kk1 n HIS 3 Ca -0.07 -2.89 0.00 0.00 -0.00 0.00 0.00 57.72 54.77 2kk1 n HIS 3 Cb 0.61 -2.26 0.00 0.00 -0.00 0.00 0.00 29.99 28.34 2kk1 n HIS 3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kk1 n HIS 4 N 4.94 0.00 -2.17 1.57 -0.00 -1.26 -4.91 115.22 113.39 2kk1 n HIS 4 Ca 0.47 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.81 2kk1 n HIS 4 Cb 0.37 -0.45 -0.03 0.00 -0.00 0.00 0.00 29.99 29.88 2kk1 n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk1 s HIS 5 N -1.03 1.84 -1.17 4.41 5.65 -1.26 -4.90 115.29 118.83 2kk1 s HIS 5 Ca 0.00 0.54 -0.18 0.00 0.25 0.00 0.00 55.06 55.67 2kk1 s HIS 5 Cb 0.00 -4.22 -0.04 0.00 -1.18 0.00 0.00 32.58 27.14 2kk1 s HIS 5 CO 0.00 -2.20 2.07 1.58 -0.65 0.00 0.00 174.74 175.54 2kk1 n HIS 6 N 12.00 2.93 -3.45 3.88 -0.00 -1.26 -4.84 115.22 124.48 2kk1 n HIS 6 Ca 0.19 -2.44 -0.43 0.00 -0.00 0.00 0.00 57.72 55.03 2kk1 n HIS 6 Cb 0.51 -2.24 -0.06 0.00 -0.00 0.00 0.00 29.99 28.20 2kk1 n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk1 s HIS 7 N 4.33 3.41 -0.23 1.57 2.46 -1.26 -5.01 115.29 120.56 2kk1 s HIS 7 Ca 0.53 -1.74 -0.10 0.00 0.47 0.00 0.00 55.06 54.21 2kk1 s HIS 7 Cb 0.13 -3.63 0.09 0.00 -0.13 0.00 0.00 32.58 29.04 2kk1 s HIS 7 CO 0.01 -0.99 0.52 -1.01 -2.47 0.00 0.00 174.74 170.80 2kk1 s HIS 8 N 1.19 -0.93 0.61 3.88 0.09 -1.26 -5.13 115.29 113.74 2kk1 s HIS 8 Ca 0.07 1.78 -0.15 0.00 -0.00 0.00 0.00 55.06 56.76 2kk1 s HIS 8 Cb -0.25 0.48 -0.03 0.00 -0.00 0.00 0.00 32.58 32.78 2kk1 s HIS 8 CO -0.01 -0.50 1.05 -1.54 -0.00 0.00 0.00 174.74 173.75 2kk1 s SER 9 N 2.18 5.76 -0.04 1.40 1.04 -1.26 -5.09 113.70 117.69 2kk1 s SER 9 Ca -0.06 1.77 -0.08 0.00 0.48 0.00 0.00 55.95 58.06 2kk1 s SER 9 Cb -0.10 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.51 2kk1 s SER 9 CO -0.16 -1.18 0.19 -1.38 0.98 0.00 0.00 173.24 171.69 2kk1 s HIS 10 N -2.56 -0.12 0.89 5.02 0.00 -1.26 -5.18 115.29 112.08 2kk1 s HIS 10 Ca 0.62 0.27 -0.11 0.00 -3.00 0.00 0.00 55.06 52.84 2kk1 s HIS 10 Cb -0.15 0.03 0.18 0.00 -4.00 0.00 0.00 32.58 28.64 2kk1 s HIS 10 CO 0.40 -0.21 1.22 -1.64 -1.00 0.00 0.00 174.74 173.52 2kk1 s MET 11 N -0.60 0.90 0.28 -0.38 1.00 -1.26 -4.98 119.30 114.27 2kk1 s MET 11 Ca -0.07 -0.69 0.00 0.00 0.00 0.00 0.00 55.69 54.93 2kk1 s MET 11 Cb -0.04 -2.00 0.00 0.00 0.00 0.00 0.00 34.83 32.79 2kk1 s MET 11 CO 0.01 -2.15 0.00 0.00 0.00 0.00 0.00 175.02 172.88 2kk1 n ALA 12 N -3.48 -2.14 -3.73 3.03 0.00 -1.26 -4.95 120.51 107.98 2kk1 n ALA 12 Ca 0.16 0.40 -0.24 0.00 0.00 0.00 0.00 53.44 53.76 2kk1 n ALA 12 Cb 0.60 -0.82 -0.17 0.00 0.00 0.00 0.00 19.45 19.06 2kk1 n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kk1 s ASN 13 N -6.25 1.72 -1.39 0.00 2.20 -1.26 -5.05 114.94 104.91 2kk1 s ASN 13 Ca 0.00 -0.22 -0.14 0.00 -0.94 0.00 0.00 52.86 51.56 2kk1 s ASN 13 Cb 0.00 -0.67 0.07 0.00 -2.00 0.00 0.00 41.25 38.65 2kk1 s ASN 13 CO 0.00 -0.09 2.03 0.61 -2.94 0.00 0.00 177.10 176.70 2kk1 n GLY 14 N 4.58 3.95 3.55 0.45 0.00 -1.26 -4.95 105.19 111.51 2kk1 n GLY 14 Ca -0.16 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 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 3.03 1.50 -0.19 4.61 0.00 -1.26 -4.94 121.76 124.50 2kk1 s ALA 15 Ca 0.48 -0.24 -0.07 0.00 0.00 0.00 0.00 51.96 52.13 2kk1 s ALA 15 Cb 0.10 -4.39 -0.04 0.00 0.00 0.00 0.00 23.12 18.79 2kk1 s ALA 15 CO -0.03 -4.70 0.07 0.00 0.00 0.00 0.00 175.76 171.09 2kk1 s ALA 16 N 12.37 3.37 -1.05 0.00 0.00 -1.26 -4.99 121.76 130.21 2kk1 s ALA 16 Ca 0.93 -0.81 0.20 0.00 0.00 0.00 0.00 51.96 52.29 2kk1 s ALA 16 Cb -0.16 -1.96 0.88 0.00 0.00 0.00 0.00 23.12 21.89 2kk1 s ALA 16 CO 0.21 0.07 1.65 0.41 0.00 0.00 0.00 175.76 178.10 2kk1 n GLY 17 N 3.76 -1.17 0.39 0.00 0.00 -1.26 -3.65 105.19 103.26 2kk1 n GLY 17 Ca -0.16 -0.07 0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 0.76 0.00 2.61 2.02 -2.00 -0.41 112.91 115.88 2kk1 h THR 18 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2kk1 h THR 18 Cb 0.33 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2kk1 h THR 18 CO 0.00 0.05 0.00 2.29 0.37 0.00 0.00 175.52 178.23 2kk1 n LYS 19 N -4.44 0.27 -0.99 6.66 2.85 -1.24 -3.10 118.16 118.17 2kk1 n LYS 19 Ca 0.13 0.07 -0.20 0.00 -1.05 0.00 0.00 58.31 57.26 2kk1 n LYS 19 Cb 0.58 -1.50 0.13 0.00 -0.65 0.00 0.00 35.03 33.59 2kk1 n LYS 19 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2kk1 n VAL 20 N -1.33 2.82 0.29 0.58 0.31 -0.16 -4.59 118.33 116.25 2kk1 n VAL 20 Ca 0.10 -1.65 0.18 0.00 -0.01 0.00 0.00 64.34 62.97 2kk1 n VAL 20 Cb 0.21 -0.69 0.99 0.00 -0.91 0.00 0.00 33.84 33.43 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 1.31 1.40 0.00 3.52 0.00 -1.73 -0.39 119.26 123.37 2kk1 h ALA 21 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2kk1 h ALA 21 Cb 2.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.01 2kk1 h ALA 21 CO 0.93 -0.12 0.00 1.28 0.00 0.00 0.00 179.25 181.34 2kk1 n LEU 22 N -3.46 0.00 -3.98 0.00 4.77 -1.26 -4.63 117.00 108.43 2kk1 n LEU 22 Ca -0.02 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.59 2kk1 n LEU 22 Cb 0.18 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2kk1 n LEU 22 CO 0.23 0.00 1.85 -1.14 -1.33 0.00 0.00 177.39 177.00 2kk1 n ARG 23 N -0.53 1.46 -0.06 3.23 0.63 -0.16 -4.30 116.66 116.94 2kk1 n ARG 23 Ca 0.01 -2.04 -0.06 0.00 -0.92 0.00 0.00 57.85 54.84 2kk1 n ARG 23 Cb 0.01 -3.21 -0.08 0.00 0.45 0.00 0.00 32.46 29.62 2kk1 n ARG 23 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2kk1 n LYS 24 N 7.54 1.88 -4.34 -0.14 5.02 -1.26 -5.08 118.16 121.78 2kk1 n LYS 24 Ca 0.48 0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.59 2kk1 n LYS 24 Cb 0.43 -1.28 -0.09 0.00 -0.02 0.00 0.00 35.03 34.07 2kk1 n LYS 24 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2kk1 s THR 25 N -2.27 0.33 0.74 -0.18 -4.23 -1.26 -5.15 115.64 103.63 2kk1 s THR 25 Ca -0.08 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.28 2kk1 s THR 25 Cb 0.04 -2.51 0.05 0.00 1.34 0.00 0.00 72.50 71.41 2kk1 s THR 25 CO 0.42 0.00 1.21 -0.54 -0.54 0.00 0.00 174.62 175.17 2kk1 s LYS 26 N -3.80 2.05 0.09 3.99 1.02 -1.26 -4.99 119.74 116.83 2kk1 s LYS 26 Ca 0.35 1.77 0.00 0.00 0.02 0.00 0.00 55.97 58.11 2kk1 s LYS 26 Cb 0.05 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.54 2kk1 s LYS 26 CO 0.18 -1.91 0.00 0.00 -0.92 0.00 0.00 175.35 172.70 2kk1 n GLN 27 N -2.82 0.00 -3.61 1.68 10.64 -1.26 -5.14 117.38 116.88 2kk1 n GLN 27 Ca 0.13 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.19 2kk1 n GLN 27 Cb 0.50 -0.32 -0.06 0.00 -0.86 0.00 0.00 30.24 29.50 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 -1.92 0.40 2.61 0.00 -1.26 -5.05 121.76 114.54 2kk1 s ALA 28 Ca 0.00 1.75 0.21 0.00 0.00 0.00 0.00 51.96 53.92 2kk1 s ALA 28 Cb 0.00 -1.04 1.19 0.00 0.00 0.00 0.00 23.12 23.28 2kk1 s ALA 28 CO 0.00 -0.28 1.70 0.00 0.00 0.00 0.00 175.76 177.18 2kk1 h ALA 29 N 3.68 2.32 -0.32 0.00 0.00 -1.96 0.61 119.26 123.59 2kk1 h ALA 29 Ca -0.25 0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.85 2kk1 h ALA 29 Cb 1.17 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2kk1 h ALA 29 CO 0.19 -0.84 0.23 0.93 0.00 0.00 0.00 179.25 179.76 2kk1 h GLU 30 N 0.29 0.00 0.00 0.00 4.39 -1.98 -2.39 114.58 114.89 2kk1 h GLU 30 Ca 0.69 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.39 2kk1 h GLU 30 Cb 1.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 2kk1 h GLU 30 CO -0.40 0.00 -1.23 1.17 -1.16 0.00 0.00 179.01 177.40 2kk1 n LYS 31 N -4.40 1.30 -3.38 2.33 3.00 0.13 -5.01 118.16 112.12 2kk1 n LYS 31 Ca 0.05 -0.08 -0.36 0.00 -0.00 0.00 0.00 58.31 57.93 2kk1 n LYS 31 Cb 0.40 -1.24 -0.06 0.00 0.00 0.00 0.00 35.03 34.14 2kk1 n LYS 31 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2kk1 s ILE 32 N -2.65 4.87 -0.09 3.15 1.01 -0.71 -5.01 121.20 121.76 2kk1 s ILE 32 Ca -0.01 0.83 -0.16 0.00 0.00 0.00 0.00 60.65 61.31 2kk1 s ILE 32 Cb 0.09 -3.74 -0.28 0.00 0.01 0.00 0.00 42.46 38.54 2kk1 s ILE 32 CO 0.54 0.29 0.60 0.77 0.00 0.00 0.00 174.94 177.14 2kk1 h SER 33 N 3.71 0.41 0.05 3.58 4.64 -1.92 -3.31 113.55 120.71 2kk1 h SER 33 Ca -0.49 -0.87 0.02 0.00 -0.47 0.00 0.00 61.79 59.98 2kk1 h SER 33 Cb 1.20 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.10 2kk1 h SER 33 CO 0.65 1.62 -0.52 0.00 -0.87 0.00 0.00 176.83 177.71 2kk1 h ALA 34 N -0.02 -0.96 0.00 5.18 0.00 -1.91 -0.03 119.26 121.52 2kk1 h ALA 34 Ca -0.29 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kk1 h ALA 34 Cb 1.79 0.92 -0.00 0.00 0.00 0.00 0.00 17.79 20.50 2kk1 h ALA 34 CO 0.08 -1.11 -0.00 -0.44 0.00 0.00 0.00 179.25 177.78 2kk1 h ASP 35 N -0.69 0.00 1.45 0.00 5.19 -1.83 -2.58 116.42 117.95 2kk1 h ASP 35 Ca 0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.35 2kk1 h ASP 35 Cb 0.72 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.22 2kk1 h ASP 35 CO -0.32 0.00 -0.57 0.50 -3.12 0.00 0.00 179.24 175.73 2kk1 h LYS 36 N 0.00 0.00 -6.64 3.56 3.11 -1.13 -3.47 116.57 112.01 2kk1 h LYS 36 Ca -0.00 0.00 -0.52 0.00 -2.81 0.00 0.00 60.65 57.32 2kk1 h LYS 36 Cb 0.04 0.00 0.05 0.00 -1.00 0.00 0.00 32.23 31.32 2kk1 h LYS 36 CO 0.00 0.25 0.94 0.42 -2.81 0.00 0.00 179.45 178.25 2kk1 s ILE 37 N -3.09 2.33 0.37 2.00 -1.09 -0.68 -5.01 121.20 116.04 2kk1 s ILE 37 Ca 0.03 0.24 0.08 0.00 -2.23 0.00 0.00 60.65 58.77 2kk1 s ILE 37 Cb 0.07 -3.15 -0.06 0.00 -1.58 0.00 0.00 42.46 37.74 2kk1 s ILE 37 CO 0.74 0.02 0.06 -0.44 -1.23 0.00 0.00 174.94 174.09 2kk1 s SER 38 N 1.14 4.18 0.06 3.58 0.01 -1.26 -4.87 113.70 116.53 2kk1 s SER 38 Ca 0.72 -1.10 -0.29 0.00 1.31 0.00 0.00 55.95 56.59 2kk1 s SER 38 Cb -0.47 -0.48 -0.15 0.00 0.21 0.00 0.00 66.02 65.13 2kk1 s SER 38 CO 0.32 -0.37 1.45 0.50 0.41 0.00 0.00 173.24 175.55 2kk1 h LYS 39 N 1.70 -0.89 -0.24 12.44 3.64 -2.00 -2.44 116.57 128.77 2kk1 h LYS 39 Ca -0.43 0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 58.93 2kk1 h LYS 39 Cb 1.25 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.26 2kk1 h LYS 39 CO 0.71 -0.60 -0.21 1.05 -2.27 0.00 0.00 179.45 178.13 2kk1 h GLU 40 N -0.93 0.43 -0.64 1.90 9.09 -1.98 -1.00 114.58 121.46 2kk1 h GLU 40 Ca -0.08 -0.14 0.07 0.00 0.05 0.00 0.00 59.36 59.26 2kk1 h GLU 40 Cb 0.76 -0.03 -0.06 0.00 -1.65 0.00 0.00 28.75 27.76 2kk1 h GLU 40 CO 0.05 0.62 0.32 0.00 0.05 0.00 0.00 179.01 180.05 2kk1 h ALA 41 N 1.39 0.85 -0.08 1.06 0.00 -1.97 0.62 119.26 121.13 2kk1 h ALA 41 Ca 0.06 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2kk1 h ALA 41 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kk1 h ALA 41 CO 0.04 -0.04 -0.18 1.25 0.00 0.00 0.00 179.25 180.32 2kk1 h LEU 42 N 0.58 0.30 -0.61 0.00 6.46 -1.00 -2.95 115.31 118.09 2kk1 h LEU 42 Ca 0.30 -0.57 0.05 0.00 -0.12 0.00 0.00 57.88 57.53 2kk1 h LEU 42 Cb 0.25 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.04 2kk1 h LEU 42 CO -0.22 0.82 0.34 -0.07 -0.62 0.00 0.00 178.44 178.68 2kk1 h LEU 43 N -0.21 0.50 -0.20 2.25 3.38 -0.89 -0.46 115.31 119.67 2kk1 h LEU 43 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kk1 h LEU 43 Cb 0.77 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2kk1 h LEU 43 CO 0.04 0.33 0.10 -0.33 0.09 0.00 0.00 178.44 178.67 2kk1 h GLU 44 N 0.63 0.28 -0.90 1.13 4.39 -0.97 0.28 114.58 119.42 2kk1 h GLU 44 Ca 0.27 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 60.01 2kk1 h GLU 44 Cb 0.15 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.69 2kk1 h GLU 44 CO -0.17 0.29 0.58 0.00 -1.16 0.00 0.00 179.01 178.56 2kk1 h ALA 46 N 1.53 0.23 -0.26 0.00 0.00 -0.82 -3.24 119.26 116.70 2kk1 h ALA 46 Ca 0.40 -0.48 0.08 0.00 0.00 0.00 0.00 54.91 54.90 2kk1 h ALA 46 Cb 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kk1 h ALA 46 CO -0.16 0.38 0.19 0.22 0.00 0.00 0.00 179.25 179.88 2kk1 h ASP 47 N 0.16 0.00 -0.88 0.00 3.58 0.20 0.56 116.42 120.04 2kk1 h ASP 47 Ca -0.02 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.52 2kk1 h ASP 47 Cb 1.09 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.06 2kk1 h ASP 47 CO 0.10 0.00 0.53 -0.07 -2.88 0.00 0.00 179.24 176.91 2kk1 h LEU 48 N 0.00 0.78 0.20 2.28 3.38 -1.33 -0.47 115.31 120.15 2kk1 h LEU 48 Ca 0.12 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2kk1 h LEU 48 Cb 0.50 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kk1 h LEU 48 CO -0.00 0.45 -0.10 -0.07 0.09 0.00 0.00 178.44 178.81 2kk1 h LEU 49 N 0.89 -0.23 -0.91 1.67 4.07 -1.02 -0.29 115.31 119.49 2kk1 h LEU 49 Ca 0.42 -0.23 0.07 0.00 0.08 0.00 0.00 57.88 58.22 2kk1 h LEU 49 Cb 0.35 0.06 -0.07 0.00 1.08 0.00 0.00 40.66 42.08 2kk1 h LEU 49 CO -0.24 0.13 0.57 0.77 -1.08 0.00 0.00 178.44 178.59 2kk1 h SER 50 N -0.62 0.88 -0.11 -0.43 4.64 -1.35 0.08 113.55 116.63 2kk1 h SER 50 Ca -0.03 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2kk1 h SER 50 Cb 0.45 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2kk1 h SER 50 CO 0.05 0.54 -0.04 -1.28 -0.87 0.00 0.00 176.83 175.23 2kk1 h SER 51 N 1.01 0.23 -0.65 4.97 0.87 -1.10 -3.29 113.55 115.58 2kk1 h SER 51 Ca 0.41 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2kk1 h SER 51 Cb 0.23 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 2kk1 h SER 51 CO -0.19 0.56 0.28 0.00 -0.53 0.00 0.00 176.83 176.95 2kk1 h ALA 52 N 0.68 1.23 0.00 6.23 0.00 -0.39 -2.78 119.26 124.22 2kk1 h ALA 52 Ca 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kk1 h ALA 52 Cb 0.47 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kk1 h ALA 52 CO 0.01 0.57 -0.00 -0.07 0.00 0.00 0.00 179.25 179.76 2kk1 h LEU 53 N 0.97 0.00 0.00 0.00 3.38 -1.07 -1.45 115.31 117.14 2kk1 h LEU 53 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2kk1 h LEU 53 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2kk1 h LEU 53 CO -0.02 0.00 -0.21 0.71 0.09 0.00 0.00 178.44 179.01 2kk1 h THR 54 N 0.00 0.00 -2.30 0.22 1.35 -1.61 -3.19 112.91 107.38 2kk1 h THR 54 Ca -0.00 -0.90 -0.58 0.00 -0.55 0.00 0.00 66.41 64.38 2kk1 h THR 54 Cb 0.01 1.79 -0.11 0.00 -1.73 0.00 0.00 68.15 68.11 2kk1 h THR 54 CO 0.00 0.00 -0.68 -1.83 -0.25 0.00 0.00 175.52 172.76 2kk1 s GLU 55 N -3.22 2.11 0.04 4.72 -1.05 -0.55 -4.84 118.70 115.91 2kk1 s GLU 55 Ca 0.06 -1.49 -0.30 0.00 -0.15 0.00 0.00 54.97 53.09 2kk1 s GLU 55 Cb 0.07 -2.06 -0.09 0.00 -0.44 0.00 0.00 34.13 31.62 2kk1 s GLU 55 CO 0.68 0.36 1.89 -2.14 0.95 0.00 0.00 175.26 177.01 2kk1 s PRO 56 N -3.53 4.15 0.04 -4.83 0.02 -1.26 -4.49 135.00 125.10 2kk1 s PRO 56 Ca 0.30 2.54 -0.04 0.00 0.02 0.00 0.00 61.00 63.82 2kk1 s PRO 56 Cb -0.06 -4.04 -0.02 0.00 0.02 0.00 0.00 34.50 30.40 2kk1 s PRO 56 CO 0.18 -0.92 0.06 0.14 -0.33 0.00 0.00 177.00 176.13 2kk1 s VAL 57 N 4.10 0.14 0.43 3.83 -7.23 -1.26 -4.97 120.40 115.44 2kk1 s VAL 57 Ca 0.85 -1.19 -0.23 0.00 -1.81 0.00 0.00 61.98 59.60 2kk1 s VAL 57 Cb -0.42 -0.91 -0.09 0.00 0.56 0.00 0.00 36.38 35.52 2kk1 s VAL 57 CO 0.39 -0.66 1.06 -2.84 -0.31 0.00 0.00 175.10 172.74 2kk1 s PRO 58 N -2.68 4.03 0.28 4.82 0.02 -1.26 -4.00 135.00 136.20 2kk1 s PRO 58 Ca -0.04 1.50 -0.00 0.00 0.02 0.00 0.00 61.00 62.48 2kk1 s PRO 58 Cb -0.01 -2.41 0.50 0.00 0.02 0.00 0.00 34.50 32.60 2kk1 s PRO 58 CO -0.05 -0.26 1.85 -0.97 -0.33 0.00 0.00 177.00 177.24 2kk1 h ASN 59 N 2.21 0.95 0.08 2.53 -0.73 -1.96 -2.60 115.58 116.06 2kk1 h ASN 59 Ca -0.49 0.04 -0.00 0.00 1.87 0.00 0.00 56.30 57.72 2kk1 h ASN 59 Cb 1.22 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.65 2kk1 h ASN 59 CO 0.61 0.54 -0.04 0.77 -0.37 0.00 0.00 177.43 178.95 2kk1 h SER 60 N 1.05 -0.09 -0.74 1.15 4.64 -1.98 -1.77 113.55 115.81 2kk1 h SER 60 Ca 0.48 -0.01 0.11 0.00 -0.47 0.00 0.00 61.79 61.89 2kk1 h SER 60 Cb 0.39 0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 62.42 2kk1 h SER 60 CO -0.24 -0.05 0.36 -0.61 -0.87 0.00 0.00 176.83 175.43 2kk1 h GLN 61 N -0.12 0.57 0.30 4.77 4.15 -1.87 -0.28 115.11 122.63 2kk1 h GLN 61 Ca -0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2kk1 h GLN 61 Cb 0.09 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.66 2kk1 h GLN 61 CO 0.02 0.38 -0.14 -0.07 -1.93 0.00 0.00 178.83 177.08 2kk1 h LEU 62 N 0.59 -0.34 -0.33 -2.39 3.38 -1.22 -0.88 115.31 114.11 2kk1 h LEU 62 Ca 0.37 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 2kk1 h LEU 62 Cb 0.44 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2kk1 h LEU 62 CO -0.30 -0.11 0.12 0.58 0.09 0.00 0.00 178.44 178.82 2kk1 h VAL 63 N -0.56 1.19 -0.41 1.22 2.07 -1.02 0.66 116.25 119.42 2kk1 h VAL 63 Ca -0.04 -0.61 -0.15 0.00 0.82 0.00 0.00 66.70 66.72 2kk1 h VAL 63 Cb 0.41 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2kk1 h VAL 63 CO 0.07 0.21 -0.33 0.44 0.02 0.00 0.00 177.57 177.98 2kk1 h ASP 64 N 0.39 0.97 0.43 0.57 3.32 -1.12 0.43 116.42 121.42 2kk1 h ASP 64 Ca 0.11 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 2kk1 h ASP 64 Cb 0.21 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2kk1 h ASP 64 CO -0.01 1.21 -0.17 0.74 -1.72 0.00 0.00 179.24 179.29 2kk1 h THR 65 N 0.77 0.69 -0.05 0.35 2.02 -1.05 -2.20 112.91 113.44 2kk1 h THR 65 Ca 0.08 -0.72 -0.21 0.00 0.77 0.00 0.00 66.41 66.33 2kk1 h THR 65 Cb 0.91 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2kk1 h THR 65 CO 0.08 0.17 -0.83 1.23 0.37 0.00 0.00 175.52 176.54 2kk1 h GLY 66 N 1.04 0.48 0.37 2.16 0.00 -0.29 -3.34 103.07 103.49 2kk1 h GLY 66 Ca -0.00 -0.75 0.08 0.00 0.00 0.00 0.00 47.33 46.66 2kk1 h GLY 66 CO 0.02 0.66 0.05 0.45 0.00 0.00 0.00 176.54 177.73 2kk1 h HIS 67 N 0.27 0.08 -0.58 5.60 -0.00 -0.27 -1.49 115.15 118.76 2kk1 h HIS 67 Ca -0.05 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.39 2kk1 h HIS 67 Cb 1.44 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.85 2kk1 h HIS 67 CO 0.05 -0.04 0.38 -0.56 -0.00 0.00 0.00 177.93 177.77 2kk1 h GLN 68 N 0.18 0.62 -0.71 2.45 3.07 -1.66 -1.05 115.11 118.01 2kk1 h GLN 68 Ca 0.22 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 58.92 2kk1 h GLN 68 Cb 0.30 -0.14 -0.03 0.00 0.08 0.00 0.00 27.48 27.69 2kk1 h GLN 68 CO -0.32 0.41 0.42 -0.07 0.09 0.00 0.00 178.83 179.36 2kk1 h LEU 69 N 0.64 0.84 -0.57 0.06 -0.00 -1.39 0.15 115.31 115.04 2kk1 h LEU 69 Ca 0.24 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 58.06 2kk1 h LEU 69 Cb 0.15 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.57 2kk1 h LEU 69 CO -0.07 0.65 0.31 -0.07 -0.00 0.00 0.00 178.44 179.27 2kk1 h LEU 70 N 0.97 0.71 0.34 1.67 -0.00 -0.97 0.17 115.31 118.21 2kk1 h LEU 70 Ca 0.25 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 58.03 2kk1 h LEU 70 Cb -0.04 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.45 2kk1 h LEU 70 CO -0.05 0.60 -0.16 -0.78 -0.00 0.00 0.00 178.44 178.05 2kk1 h ASP 71 N 0.77 -0.39 0.09 -0.43 3.58 -1.06 -0.03 116.42 118.95 2kk1 h ASP 71 Ca 0.20 -0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.57 2kk1 h ASP 71 Cb 0.04 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2kk1 h ASP 71 CO -0.03 -0.14 -0.13 1.88 -2.88 0.00 0.00 179.24 177.94 2kk1 h TYR 72 N -0.63 -0.32 -0.86 0.28 -1.99 -0.97 -2.77 116.97 109.70 2kk1 h TYR 72 Ca -0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 2kk1 h TYR 72 Cb 0.45 0.13 -0.04 0.00 2.00 0.00 0.00 36.73 39.27 2kk1 h TYR 72 CO -0.01 -0.19 0.55 0.00 -0.00 0.00 0.00 178.16 178.51 2kk1 h SER 74 N 1.18 -0.35 0.57 0.00 0.87 -0.76 -0.29 113.55 114.76 2kk1 h SER 74 Ca 0.31 0.10 -0.24 0.00 -1.23 0.00 0.00 61.79 60.73 2kk1 h SER 74 Cb -0.10 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2kk1 h SER 74 CO -0.06 -0.13 -1.05 1.23 -0.53 0.00 0.00 176.83 176.28 2kk1 h GLY 75 N -0.05 0.30 1.24 5.77 0.00 -1.21 -3.36 103.07 105.76 2kk1 h GLY 75 Ca 0.14 -0.63 -0.20 0.00 0.00 0.00 0.00 47.33 46.64 2kk1 h GLY 75 CO -0.31 0.56 -0.64 -1.82 0.00 0.00 0.00 176.54 174.32 2kk1 h TYR 76 N 0.12 1.01 -0.94 5.60 3.20 -0.56 -3.27 116.97 122.13 2kk1 h TYR 76 Ca -0.09 -0.39 0.07 0.00 3.14 0.00 0.00 58.73 61.46 2kk1 h TYR 76 Cb 1.73 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 39.76 2kk1 h TYR 76 CO 0.05 1.21 0.60 -0.24 -1.64 0.00 0.00 178.16 178.14 2kk1 h VAL 77 N 0.57 1.06 0.00 1.81 3.04 -1.19 0.87 116.25 122.41 2kk1 h VAL 77 Ca -0.01 -0.37 -0.01 0.00 -1.01 0.00 0.00 66.70 65.30 2kk1 h VAL 77 Cb 1.25 -0.12 -0.00 0.00 -2.01 0.00 0.00 31.29 30.41 2kk1 h VAL 77 CO 0.13 0.20 -0.04 -0.78 -1.01 0.00 0.00 177.57 176.07 2kk1 h ASP 78 N 1.08 0.00 -0.41 3.17 3.58 -1.72 -1.98 116.42 120.15 2kk1 h ASP 78 Ca 0.41 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.86 2kk1 h ASP 78 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2kk1 h ASP 78 CO -0.18 0.04 0.00 0.00 -2.88 0.00 0.00 179.24 176.22 2kk1 s ILE 80 N -1.48 4.74 0.05 0.00 1.01 -0.75 -4.98 121.20 119.80 2kk1 s ILE 80 Ca 0.39 1.89 -0.31 0.00 0.00 0.00 0.00 60.65 62.62 2kk1 s ILE 80 Cb 0.22 -4.25 -0.18 0.00 0.01 0.00 0.00 42.46 38.26 2kk1 s ILE 80 CO 0.31 -0.13 1.49 -0.65 0.00 0.00 0.00 174.94 175.96 2kk1 h PRO 81 N 7.48 -0.82 -6.38 2.79 0.11 -1.91 -3.42 132.00 129.85 2kk1 h PRO 81 Ca -0.21 0.06 -0.57 0.00 0.11 0.00 0.00 66.00 65.38 2kk1 h PRO 81 Cb 1.08 0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 2kk1 h PRO 81 CO 0.94 -0.52 1.04 -0.65 -0.21 0.00 0.00 178.00 178.60 2kk1 s GLN 82 N -5.64 3.78 0.42 1.05 -0.21 -1.26 -4.89 119.66 112.90 2kk1 s GLN 82 Ca -0.17 1.27 0.09 0.00 0.02 0.00 0.00 55.36 56.57 2kk1 s GLN 82 Cb 0.03 -3.96 0.89 0.00 1.00 0.00 0.00 33.01 30.97 2kk1 s GLN 82 CO 0.58 -1.30 2.02 1.15 -2.12 0.00 0.00 175.29 175.62 2kk1 h THR 83 N 6.16 1.11 -0.34 -0.19 2.02 -1.98 -0.21 112.91 119.49 2kk1 h THR 83 Ca -0.28 -0.35 0.07 0.00 0.77 0.00 0.00 66.41 66.61 2kk1 h THR 83 Cb 1.11 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 2kk1 h THR 83 CO 1.04 0.13 -0.08 0.03 0.37 0.00 0.00 175.52 177.01 2kk1 h ARG 84 N 0.37 0.00 -0.26 6.66 2.47 -1.97 0.70 114.38 122.35 2kk1 h ARG 84 Ca 0.09 -0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.76 2kk1 h ARG 84 Cb 0.09 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 2kk1 h ARG 84 CO -0.01 0.00 -0.05 -0.91 0.56 0.00 0.00 179.97 179.57 2kk1 h ASN 85 N 0.00 0.49 -0.98 7.04 4.21 -1.70 -2.90 115.58 121.75 2kk1 h ASN 85 Ca 0.16 -0.35 0.08 0.00 1.21 0.00 0.00 56.30 57.40 2kk1 h ASN 85 Cb 0.25 -0.13 -0.07 0.00 -1.12 0.00 0.00 38.32 37.24 2kk1 h ASN 85 CO -0.34 0.73 0.62 0.50 -1.29 0.00 0.00 177.43 177.64 2kk1 h LYS 86 N 0.24 1.05 0.30 0.81 3.64 -0.54 0.48 116.57 122.54 2kk1 h LYS 86 Ca 0.07 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2kk1 h LYS 86 Cb 0.51 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2kk1 h LYS 86 CO 0.02 0.69 -0.14 0.35 -2.27 0.00 0.00 179.45 178.10 2kk1 h PHE 87 N 1.08 -0.37 -0.13 1.91 3.57 -0.91 -1.81 116.94 120.27 2kk1 h PHE 87 Ca 0.44 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.97 2kk1 h PHE 87 Cb 0.27 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2kk1 h PHE 87 CO -0.01 -0.03 0.10 0.00 -2.23 0.00 0.00 178.31 176.14 2kk1 h ALA 88 N -0.28 2.10 -0.12 2.41 0.00 -1.27 -1.83 119.26 120.27 2kk1 h ALA 88 Ca -0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2kk1 h ALA 88 Cb 0.51 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kk1 h ALA 88 CO 0.07 -0.17 -0.08 0.35 0.00 0.00 0.00 179.25 179.42 2kk1 h PHE 89 N 0.00 0.30 -0.60 0.00 3.57 0.01 -1.58 116.94 118.64 2kk1 h PHE 89 Ca 0.06 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2kk1 h PHE 89 Cb 0.26 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 2kk1 h PHE 89 CO 0.00 0.63 0.34 0.00 -2.23 0.00 0.00 178.31 177.05 2kk1 h ARG 90 N -0.11 0.84 -0.28 1.11 2.47 -0.55 0.55 114.38 118.40 2kk1 h ARG 90 Ca 0.02 -0.09 -0.12 0.00 -1.26 0.00 0.00 59.98 58.54 2kk1 h ARG 90 Cb 0.57 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 2kk1 h ARG 90 CO 0.02 0.62 -0.31 1.05 0.56 0.00 0.00 179.97 181.92 2kk1 h GLU 91 N 0.82 0.58 -0.29 0.04 4.11 -1.42 -2.01 114.58 116.42 2kk1 h GLU 91 Ca 0.21 -0.25 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 2kk1 h GLU 91 Cb 0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2kk1 h GLU 91 CO -0.04 0.82 0.11 0.00 0.07 0.00 0.00 179.01 179.97 2kk1 h ALA 92 N 1.16 0.37 -0.79 1.06 0.00 -0.89 -2.18 119.26 118.00 2kk1 h ALA 92 Ca 0.06 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2kk1 h ALA 92 Cb 0.78 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2kk1 h ALA 92 CO 0.06 -0.02 0.52 0.28 0.00 0.00 0.00 179.25 180.09 2kk1 h VAL 93 N 0.31 1.12 -0.77 0.00 2.07 -0.79 -0.57 116.25 117.62 2kk1 h VAL 93 Ca 0.09 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2kk1 h VAL 93 Cb 0.20 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 2kk1 h VAL 93 CO -0.01 0.18 0.41 -1.28 0.02 0.00 0.00 177.57 176.89 2kk1 h SER 94 N 0.96 0.97 -0.67 0.57 0.87 -1.08 -1.33 113.55 113.84 2kk1 h SER 94 Ca 0.32 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.71 2kk1 h SER 94 Cb 0.06 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 2kk1 h SER 94 CO -0.09 0.79 0.18 0.11 -0.53 0.00 0.00 176.83 177.29 2kk1 h LYS 95 N 1.07 1.07 0.28 2.24 1.57 -0.71 -1.17 116.57 120.92 2kk1 h LYS 95 Ca 0.27 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2kk1 h LYS 95 Cb 0.05 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2kk1 h LYS 95 CO -0.04 0.94 -0.14 1.25 -0.57 0.00 0.00 179.45 180.89 2kk1 h LEU 96 N 1.02 -0.32 -0.84 2.94 5.85 -0.46 0.46 115.31 123.96 2kk1 h LEU 96 Ca 0.22 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 2kk1 h LEU 96 Cb 0.33 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2kk1 h LEU 96 CO -0.00 -0.13 -0.15 1.05 -0.34 0.00 0.00 178.44 178.87 2kk1 h GLU 97 N -0.49 0.70 -0.18 1.25 4.11 -1.28 -0.04 114.58 118.66 2kk1 h GLU 97 Ca -0.04 -0.24 0.02 0.00 0.07 0.00 0.00 59.36 59.17 2kk1 h GLU 97 Cb 0.37 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2kk1 h GLU 97 CO 0.06 0.82 0.03 1.25 0.07 0.00 0.00 179.01 181.24 2kk1 h LEU 98 N 0.63 -0.00 -1.11 3.06 5.85 -1.13 -1.23 115.31 121.37 2kk1 h LEU 98 Ca 0.10 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 2kk1 h LEU 98 Cb 0.61 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2kk1 h LEU 98 CO 0.04 0.03 -0.08 0.28 -0.34 0.00 0.00 178.44 178.37 2kk1 h SER 99 N 0.10 0.52 -0.42 1.25 0.02 -0.52 -1.99 113.55 112.50 2kk1 h SER 99 Ca 0.08 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 2kk1 h SER 99 Cb 0.08 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2kk1 h SER 99 CO -0.11 0.64 0.01 -0.07 -1.14 0.00 0.00 176.83 176.16 2kk1 h LEU 100 N 0.51 0.73 -0.51 5.07 3.38 -0.70 -0.66 115.31 123.12 2kk1 h LEU 100 Ca 0.10 -0.30 -0.17 0.00 0.09 0.00 0.00 57.88 57.60 2kk1 h LEU 100 Cb 0.44 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2kk1 h LEU 100 CO 0.02 0.85 -0.67 0.06 0.09 0.00 0.00 178.44 178.79 2kk1 h GLN 101 N 0.58 0.32 0.00 1.13 3.07 -1.06 -2.72 115.11 116.44 2kk1 h GLN 101 Ca 0.12 -0.25 -0.15 0.00 0.09 0.00 0.00 58.65 58.46 2kk1 h GLN 101 Cb 0.48 0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.06 2kk1 h GLN 101 CO 0.02 0.88 -0.71 1.05 0.09 0.00 0.00 178.83 180.16 2kk1 h GLU 102 N 0.23 0.00 -0.03 0.06 4.11 -1.36 -3.29 114.58 114.29 2kk1 h GLU 102 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 2kk1 h GLU 102 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2kk1 h GLU 102 CO 0.11 0.71 0.01 1.25 0.07 0.00 0.00 179.01 181.16 2kk1 h LEU 103 N 0.00 0.05 -1.59 3.06 5.85 -0.98 0.11 115.31 121.81 2kk1 h LEU 103 Ca -0.01 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2kk1 h LEU 103 Cb 1.33 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2kk1 h LEU 103 CO 0.09 0.25 0.00 0.06 -0.34 0.00 0.00 178.44 178.50 2kk1 h GLN 104 N -0.15 0.00 0.00 1.25 3.07 -1.56 0.31 115.11 118.03 2kk1 h GLN 104 Ca 0.01 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.41 2kk1 h GLN 104 Cb 0.21 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.71 2kk1 h GLN 104 CO -0.00 0.00 -2.29 1.33 0.09 0.00 0.00 178.83 177.96 2kk1 n VAL 105 N -2.58 1.30 -0.77 1.86 0.24 -1.16 -4.56 118.33 112.66 2kk1 n VAL 105 Ca -0.00 -0.51 0.08 0.00 -2.04 0.00 0.00 64.34 61.86 2kk1 n VAL 105 Cb 0.14 -1.25 0.39 0.00 -1.47 0.00 0.00 33.84 31.65 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 -3.13 5.35 0.00 -1.34 7.64 0.36 -4.74 113.62 117.76 2kk1 n SER 106 Ca -0.39 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 56.75 2kk1 n SER 106 Cb 0.94 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2kk1 n SER 106 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2kk1 n SER 107 N 0.82 0.00 -1.10 6.43 2.88 0.11 -4.83 113.62 117.94 2kk1 n SER 107 Ca 0.27 0.98 -0.13 0.00 -1.33 0.00 0.00 58.87 58.66 2kk1 n SER 107 Cb 1.08 -0.48 -0.06 0.00 -0.75 0.00 0.00 64.21 64.00 2kk1 n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kk1 n ALA 108 N -2.55 -0.20 -3.99 -1.46 0.00 -1.26 -4.78 120.51 106.27 2kk1 n ALA 108 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 2kk1 n ALA 108 Cb 0.00 -1.68 -0.16 0.00 0.00 0.00 0.00 19.45 17.61 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 -2.07 1.89 -0.14 0.00 0.00 -1.26 -5.00 121.76 115.18 2kk1 s ALA 109 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2kk1 s ALA 109 Cb 0.00 -1.19 0.15 0.00 0.00 0.00 0.00 23.12 22.08 2kk1 s ALA 109 CO 0.00 -0.67 1.58 0.00 0.00 0.00 0.00 175.76 176.67 2kk1 n ALA 110 N 4.74 3.88 0.00 0.00 0.00 -1.26 -4.61 120.51 123.25 2kk1 n ALA 110 Ca -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.48 2kk1 n ALA 110 Cb 0.48 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 0.43 0.68 3.35 0.00 0.00 -1.26 -4.94 105.19 103.44 2kk1 n GLY 111 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.28 3.27 0.10 1.61 1.01 -1.26 -4.14 120.40 119.71 2kk1 s VAL 112 Ca 0.00 -0.56 -0.31 0.00 0.00 0.00 0.00 61.98 61.11 2kk1 s VAL 112 Cb 0.00 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 33.87 2kk1 s VAL 112 CO 0.00 0.47 1.43 -2.16 0.00 0.00 0.00 175.10 174.85 2kk1 s PRO 113 N 0.91 4.29 -1.39 2.72 0.04 -1.26 -3.57 135.00 136.74 2kk1 s PRO 113 Ca -0.02 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2kk1 s PRO 113 Cb -0.15 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.06 2kk1 s PRO 113 CO 0.00 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 176.95 2kk1 n GLY 114 N 3.59 -0.01 0.08 0.56 0.00 -1.21 -4.88 105.19 103.33 2kk1 n GLY 114 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 1.31 -3.09 2.61 1.03 -1.93 -3.46 112.91 109.38 2kk1 h THR 115 Ca -0.35 -1.53 -0.56 0.00 -0.01 0.00 0.00 66.41 63.96 2kk1 h THR 115 Cb 1.20 2.27 -0.03 0.00 -1.07 0.00 0.00 68.15 70.52 2kk1 h THR 115 CO 0.44 0.37 -0.30 0.54 -0.01 0.00 0.00 175.52 176.55 2kk1 s ASN 116 N -5.79 6.46 0.60 0.00 2.20 -1.26 -4.99 114.94 112.15 2kk1 s ASN 116 Ca -0.15 0.55 0.37 0.00 -0.94 0.00 0.00 52.86 52.69 2kk1 s ASN 116 Cb -0.00 -2.07 1.91 0.00 -2.00 0.00 0.00 41.25 39.09 2kk1 s ASN 116 CO 0.59 0.00 2.21 1.55 -2.94 0.00 0.00 177.10 178.51 2kk1 h PRO 117 N 2.49 0.00 -0.26 3.55 0.13 -1.95 -2.50 132.00 133.45 2kk1 h PRO 117 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 2kk1 h PRO 117 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kk1 h PRO 117 CO 0.71 0.03 -0.15 0.28 -0.23 0.00 0.00 178.00 178.63 2kk1 h VAL 118 N 0.00 1.23 -0.56 1.56 2.07 -1.94 -0.22 116.25 118.40 2kk1 h VAL 118 Ca -0.00 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 2kk1 h VAL 118 Cb 0.20 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2kk1 h VAL 118 CO 0.00 0.33 0.33 -0.07 0.02 0.00 0.00 177.57 178.19 2kk1 h LEU 119 N 0.42 0.66 -0.40 2.57 3.38 -1.83 0.35 115.31 120.46 2kk1 h LEU 119 Ca 0.08 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2kk1 h LEU 119 Cb 0.51 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2kk1 h LEU 119 CO 0.03 0.51 -0.30 0.78 0.09 0.00 0.00 178.44 179.55 2kk1 h ASN 120 N 0.76 0.97 -0.21 -0.43 -0.26 -1.32 -0.03 115.58 115.06 2kk1 h ASN 120 Ca 0.20 -0.44 0.04 0.00 -0.56 0.00 0.00 56.30 55.54 2kk1 h ASN 120 Cb -0.03 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 36.93 2kk1 h ASN 120 CO -0.04 1.20 -0.01 0.78 -1.06 0.00 0.00 177.43 178.31 2kk1 h ASN 121 N 0.74 -0.10 -0.46 5.81 2.35 -0.39 -0.14 115.58 123.40 2kk1 h ASN 121 Ca 0.08 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 2kk1 h ASN 121 Cb 0.89 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.32 2kk1 h ASN 121 CO 0.08 -0.02 0.29 -0.07 -1.65 0.00 0.00 177.43 176.06 2kk1 h LEU 122 N 0.05 0.49 -0.32 1.61 3.38 -0.89 -0.51 115.31 119.13 2kk1 h LEU 122 Ca 0.10 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.12 2kk1 h LEU 122 Cb 0.13 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 2kk1 h LEU 122 CO -0.17 0.35 -0.04 0.25 0.09 0.00 0.00 178.44 178.92 2kk1 h LEU 123 N 0.59 -0.20 -0.48 1.67 5.85 -0.55 0.19 115.31 122.37 2kk1 h LEU 123 Ca 0.18 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.99 2kk1 h LEU 123 Cb -0.03 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2kk1 h LEU 123 CO -0.06 -0.07 0.31 -1.28 -0.34 0.00 0.00 178.44 177.00 2kk1 h SER 124 N 0.05 0.52 -0.04 1.25 0.87 -0.82 -1.81 113.55 113.57 2kk1 h SER 124 Ca 0.15 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2kk1 h SER 124 Cb 0.22 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2kk1 h SER 124 CO -0.29 0.37 0.02 0.00 -0.53 0.00 0.00 176.83 176.40 2kk1 h VAL 126 N -0.05 0.76 -0.93 0.00 2.07 -0.60 -0.45 116.25 117.05 2kk1 h VAL 126 Ca 0.01 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2kk1 h VAL 126 Cb 0.11 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 2kk1 h VAL 126 CO -0.00 0.01 0.60 1.56 0.02 0.00 0.00 177.57 179.75 2kk1 h GLN 127 N -0.34 1.11 0.23 1.57 4.20 -1.32 -1.26 115.11 119.30 2kk1 h GLN 127 Ca -0.03 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2kk1 h GLN 127 Cb 0.26 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2kk1 h GLN 127 CO 0.06 0.74 -0.25 1.49 -0.67 0.00 0.00 178.83 180.19 2kk1 h GLU 128 N 1.15 -0.50 0.12 1.46 4.57 -0.49 -0.17 114.58 120.72 2kk1 h GLU 128 Ca 0.38 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.60 2kk1 h GLU 128 Cb 0.04 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 2kk1 h GLU 128 CO -0.13 -0.34 -0.16 0.82 -1.18 0.00 0.00 179.01 178.02 2kk1 h ILE 129 N -0.52 0.64 -1.00 2.32 2.04 -0.78 -0.81 117.51 119.41 2kk1 h ILE 129 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 2kk1 h ILE 129 Cb 0.49 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 2kk1 h ILE 129 CO -0.07 0.00 0.64 0.77 0.00 0.00 0.00 178.15 179.49 2kk1 h SER 130 N -0.33 1.01 0.25 1.72 4.64 -1.18 -2.71 113.55 116.96 2kk1 h SER 130 Ca 0.01 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2kk1 h SER 130 Cb 0.33 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2kk1 h SER 130 CO -0.07 0.63 -0.12 -0.78 -0.87 0.00 0.00 176.83 175.63 2kk1 h ASP 131 N 1.14 -0.28 -0.90 4.97 3.58 -0.64 -2.85 116.42 121.44 2kk1 h ASP 131 Ca 0.44 -0.10 0.20 0.00 0.42 0.00 0.00 57.03 57.98 2kk1 h ASP 131 Cb 0.21 0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.27 2kk1 h ASP 131 CO -0.19 -0.06 0.59 0.58 -2.88 0.00 0.00 179.24 177.28 2kk1 h VAL 132 N -0.49 0.69 -0.15 2.25 2.07 -0.86 0.71 116.25 120.47 2kk1 h VAL 132 Ca -0.03 -0.15 -0.16 0.00 0.82 0.00 0.00 66.70 67.18 2kk1 h VAL 132 Cb 0.37 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2kk1 h VAL 132 CO 0.06 0.08 -0.57 0.58 0.02 0.00 0.00 177.57 177.74 2kk1 h VAL 133 N 0.45 1.34 0.00 2.57 2.07 -1.40 -3.26 116.25 118.01 2kk1 h VAL 133 Ca 0.47 -1.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.06 2kk1 h VAL 133 Cb 1.11 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2kk1 h VAL 133 CO -0.19 0.56 -0.42 1.56 0.02 0.00 0.00 177.57 179.10 2kk1 h GLN 134 N 0.35 0.00 0.00 1.57 4.20 -0.63 -3.52 115.11 117.08 2kk1 h GLN 134 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kk1 h GLN 134 Cb 1.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 2kk1 h GLN 134 CO 0.10 0.42 0.00 0.54 -0.67 0.00 0.00 178.83 179.22