#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 1.30 3.62 3.03 0.00 -1.26 -4.69 105.19 107.19 2kk1 n GLY 2 Ca 0.00 0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 2kk1 n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kk1 s HIS 3 N 0.00 3.25 -0.21 1.61 5.04 -1.26 -5.02 115.29 118.70 2kk1 s HIS 3 Ca 0.00 0.84 -0.29 0.00 -1.54 0.00 0.00 55.06 54.07 2kk1 s HIS 3 Cb 0.00 -3.01 -0.00 0.00 0.04 0.00 0.00 32.58 29.60 2kk1 s HIS 3 CO 0.00 -0.43 1.20 -1.01 -2.34 0.00 0.00 174.74 172.16 2kk1 s HIS 4 N 2.72 2.96 -0.45 3.88 3.76 -1.26 -4.94 115.29 121.95 2kk1 s HIS 4 Ca 0.29 1.11 -0.28 0.00 -0.15 0.00 0.00 55.06 56.04 2kk1 s HIS 4 Cb -0.15 -3.52 -0.08 0.00 1.11 0.00 0.00 32.58 29.94 2kk1 s HIS 4 CO 0.10 -1.35 2.38 -2.39 -0.85 0.00 0.00 174.74 172.62 2kk1 n HIS 5 N 6.70 1.50 -3.66 1.40 -0.00 -1.26 -4.93 115.22 114.98 2kk1 n HIS 5 Ca 0.13 0.09 -0.27 0.00 -0.00 0.00 0.00 57.72 57.68 2kk1 n HIS 5 Cb 0.45 -2.63 -0.17 0.00 -0.00 0.00 0.00 29.99 27.65 2kk1 n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk1 s HIS 6 N 10.70 0.55 -0.78 -1.40 4.02 -1.26 -5.08 115.29 122.03 2kk1 s HIS 6 Ca 1.03 -0.57 -0.26 0.00 1.02 0.00 0.00 55.06 56.28 2kk1 s HIS 6 Cb -0.35 -0.85 -0.09 0.00 -1.02 0.00 0.00 32.58 30.28 2kk1 s HIS 6 CO 0.32 -0.57 2.19 -1.58 1.02 0.00 0.00 174.74 176.12 2kk1 s HIS 7 N 2.02 1.42 -0.63 1.40 5.65 -1.26 -4.89 115.29 118.99 2kk1 s HIS 7 Ca 0.01 1.34 -0.27 0.00 0.25 0.00 0.00 55.06 56.40 2kk1 s HIS 7 Cb -0.16 -3.73 -0.01 0.00 -1.18 0.00 0.00 32.58 27.49 2kk1 s HIS 7 CO -0.10 -1.82 1.79 -1.01 -0.65 0.00 0.00 174.74 172.95 2kk1 s HIS 8 N 12.25 1.74 0.24 3.88 4.02 -1.26 -4.98 115.29 131.18 2kk1 s HIS 8 Ca 0.83 0.68 0.09 0.00 1.02 0.00 0.00 55.06 57.68 2kk1 s HIS 8 Cb -0.11 -4.16 -0.04 0.00 -1.02 0.00 0.00 32.58 27.25 2kk1 s HIS 8 CO 0.08 -2.28 -0.02 0.45 1.02 0.00 0.00 174.74 174.00 2kk1 s SER 9 N 7.56 4.54 -0.09 1.40 0.15 -1.26 -5.13 113.70 120.86 2kk1 s SER 9 Ca 0.63 -0.59 -0.01 0.00 0.70 0.00 0.00 55.95 56.68 2kk1 s SER 9 Cb -0.12 -0.86 0.03 0.00 -1.71 0.00 0.00 66.02 63.36 2kk1 s SER 9 CO 0.20 0.03 -0.04 -1.00 1.20 0.00 0.00 173.24 173.63 2kk1 s HIS 10 N -2.12 1.05 0.29 3.44 4.02 -1.26 -5.13 115.29 115.58 2kk1 s HIS 10 Ca 0.30 -0.44 -0.30 0.00 1.02 0.00 0.00 55.06 55.64 2kk1 s HIS 10 Cb -0.07 -1.00 -0.11 0.00 -1.02 0.00 0.00 32.58 30.38 2kk1 s HIS 10 CO 0.19 -0.41 1.47 -1.64 1.02 0.00 0.00 174.74 175.36 2kk1 s MET 11 N 1.82 4.22 0.03 1.40 1.00 -1.26 -5.02 119.30 121.49 2kk1 s MET 11 Ca 0.05 2.39 0.05 0.00 0.00 0.00 0.00 55.69 58.18 2kk1 s MET 11 Cb -0.12 -3.07 -0.03 0.00 0.00 0.00 0.00 34.83 31.61 2kk1 s MET 11 CO -0.06 -0.46 -0.10 0.00 0.00 0.00 0.00 175.02 174.40 2kk1 s ALA 12 N -0.29 2.91 0.44 3.03 0.00 -1.26 -5.13 121.76 121.46 2kk1 s ALA 12 Ca 0.58 -1.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 2kk1 s ALA 12 Cb -0.44 -1.00 -0.06 0.00 0.00 0.00 0.00 23.12 21.62 2kk1 s ALA 12 CO 0.48 0.61 0.82 0.54 0.00 0.00 0.00 175.76 178.21 2kk1 s ASN 13 N -1.53 6.48 -0.78 0.00 4.22 -1.26 -4.32 114.94 117.75 2kk1 s ASN 13 Ca 0.17 1.18 -0.05 0.00 -2.14 0.00 0.00 52.86 52.02 2kk1 s ASN 13 Cb -0.11 -2.34 0.01 0.00 1.28 0.00 0.00 41.25 40.08 2kk1 s ASN 13 CO 0.08 -0.48 0.64 0.61 -2.04 0.00 0.00 177.10 175.91 2kk1 n GLY 14 N -1.57 0.09 0.11 0.45 0.00 -1.26 -4.95 105.19 98.05 2kk1 n GLY 14 Ca 0.03 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 2kk1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk1 h ALA 15 N 0.58 0.24 -3.34 4.61 0.00 -2.04 -3.42 119.26 115.88 2kk1 h ALA 15 Ca -0.32 -0.05 -0.48 0.00 0.00 0.00 0.00 54.91 54.06 2kk1 h ALA 15 Cb 1.21 -0.07 -0.35 0.00 0.00 0.00 0.00 17.79 18.57 2kk1 h ALA 15 CO 0.32 -0.24 -0.79 0.00 0.00 0.00 0.00 179.25 178.54 2kk1 s ALA 16 N -5.91 1.06 -0.18 0.00 0.00 -1.26 -5.03 121.76 110.44 2kk1 s ALA 16 Ca -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2kk1 s ALA 16 Cb 0.08 -0.65 0.17 0.00 0.00 0.00 0.00 23.12 22.72 2kk1 s ALA 16 CO 0.70 -0.13 1.70 0.41 0.00 0.00 0.00 175.76 178.43 2kk1 n GLY 17 N 4.34 3.20 0.32 0.00 0.00 -1.26 -4.49 105.19 107.30 2kk1 n GLY 17 Ca -0.19 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.42 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 0.70 0.88 0.00 2.61 2.02 -1.99 -0.16 112.91 116.98 2kk1 h THR 18 Ca 0.19 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.33 2kk1 h THR 18 Cb 1.21 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2kk1 h THR 18 CO 0.42 0.01 -0.15 0.07 0.37 0.00 0.00 175.52 176.24 2kk1 h LYS 19 N 0.03 0.00 -3.50 6.66 2.10 -2.06 -3.35 116.57 116.44 2kk1 h LYS 19 Ca 0.13 0.00 -0.71 0.00 -2.00 0.00 0.00 60.65 58.06 2kk1 h LYS 19 Cb 0.48 0.00 -0.34 0.00 -0.90 0.00 0.00 32.23 31.47 2kk1 h LYS 19 CO -0.01 0.15 -0.19 0.08 -2.00 0.00 0.00 179.45 177.49 2kk1 s VAL 20 N -4.20 4.25 0.00 0.07 1.01 -0.07 -4.72 120.40 116.73 2kk1 s VAL 20 Ca -0.03 -3.25 0.00 0.00 0.00 0.00 0.00 61.98 58.70 2kk1 s VAL 20 Cb 0.13 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2kk1 s VAL 20 CO 0.61 -0.98 0.00 0.00 0.00 0.00 0.00 175.10 174.73 2kk1 n ALA 21 N 3.09 3.00 0.14 5.51 0.00 -1.26 -4.90 120.51 126.09 2kk1 n ALA 21 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.33 2kk1 n ALA 21 Cb 0.39 0.01 -0.16 0.00 0.00 0.00 0.00 19.45 19.69 2kk1 n ALA 21 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2kk1 h LEU 22 N 0.00 0.83 -4.50 0.00 3.38 -1.88 -3.38 115.31 109.76 2kk1 h LEU 22 Ca 0.00 -0.92 -0.43 0.00 0.09 0.00 0.00 57.88 56.62 2kk1 h LEU 22 Cb 0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2kk1 h LEU 22 CO 0.00 1.72 1.59 0.54 0.09 0.00 0.00 178.44 182.38 2kk1 n ARG 23 N -3.71 2.84 -0.02 1.13 5.12 -1.26 -4.24 116.66 116.53 2kk1 n ARG 23 Ca -0.18 -1.64 -0.21 0.00 -1.93 0.00 0.00 57.85 53.89 2kk1 n ARG 23 Cb 1.11 -2.37 -0.14 0.00 -1.16 0.00 0.00 32.46 29.90 2kk1 n ARG 23 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2kk1 n LYS 24 N 2.90 0.74 -1.16 5.56 4.76 -1.26 -4.95 118.16 124.75 2kk1 n LYS 24 Ca 0.60 0.25 -0.30 0.00 -2.87 0.00 0.00 58.31 55.98 2kk1 n LYS 24 Cb 0.59 -1.68 0.13 0.00 -1.84 0.00 0.00 35.03 32.23 2kk1 n LYS 24 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2kk1 s THR 25 N -2.55 2.82 0.32 -0.18 -1.32 -1.26 -5.03 115.64 108.45 2kk1 s THR 25 Ca -0.25 0.27 -0.06 0.00 -1.21 0.00 0.00 61.69 60.45 2kk1 s THR 25 Cb 0.07 -2.70 -0.05 0.00 -1.51 0.00 0.00 72.50 68.31 2kk1 s THR 25 CO 0.74 -0.35 0.60 -0.54 -2.21 0.00 0.00 174.62 172.87 2kk1 s LYS 26 N -4.88 3.65 -0.00 7.08 -0.14 -1.26 -5.03 119.74 119.16 2kk1 s LYS 26 Ca 0.63 0.08 0.00 0.00 -1.36 0.00 0.00 55.97 55.32 2kk1 s LYS 26 Cb -0.18 -2.59 -0.00 0.00 -1.68 0.00 0.00 37.83 33.38 2kk1 s LYS 26 CO 0.57 0.14 -0.00 0.00 -0.76 0.00 0.00 175.35 175.30 2kk1 n GLN 27 N -1.11 0.19 -3.71 1.68 10.64 -1.26 -5.07 117.38 118.74 2kk1 n GLN 27 Ca -0.01 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.04 2kk1 n GLN 27 Cb 0.54 -1.00 -0.12 0.00 -0.86 0.00 0.00 30.24 28.80 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 -0.74 0.46 2.61 0.00 -1.26 -5.03 121.76 115.80 2kk1 s ALA 28 Ca -0.00 1.18 0.16 0.00 0.00 0.00 0.00 51.96 53.30 2kk1 s ALA 28 Cb 0.00 -0.79 1.11 0.00 0.00 0.00 0.00 23.12 23.44 2kk1 s ALA 28 CO 0.00 -0.28 2.00 0.00 0.00 0.00 0.00 175.76 177.48 2kk1 h ALA 29 N 7.32 2.09 -0.00 0.00 0.00 -1.97 -0.60 119.26 126.09 2kk1 h ALA 29 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2kk1 h ALA 29 Cb 1.16 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kk1 h ALA 29 CO 0.32 -0.21 0.03 1.05 0.00 0.00 0.00 179.25 180.44 2kk1 h GLU 30 N 0.30 0.00 0.00 0.00 4.11 -1.99 -2.42 114.58 114.58 2kk1 h GLU 30 Ca 0.24 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.33 2kk1 h GLU 30 Cb 0.54 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2kk1 h GLU 30 CO -0.05 0.00 -2.26 1.17 0.07 0.00 0.00 179.01 177.93 2kk1 n LYS 31 N -3.12 0.82 -1.58 1.06 0.00 -0.29 -4.96 118.16 110.09 2kk1 n LYS 31 Ca -0.03 0.07 -0.43 0.00 0.00 0.00 0.00 58.31 57.92 2kk1 n LYS 31 Cb 0.10 -1.46 -0.03 0.00 0.00 0.00 0.00 35.03 33.64 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 -2.93 0.27 -0.20 3.15 5.41 -0.86 -4.84 119.36 119.35 2kk1 n ILE 32 Ca -0.35 -0.48 0.06 0.00 1.00 0.00 0.00 62.75 62.98 2kk1 n ILE 32 Cb 1.00 -2.50 0.33 0.00 -0.71 0.00 0.00 39.64 37.77 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 15.38 0.70 -0.05 4.38 0.02 -1.93 -1.09 113.55 130.98 2kk1 h SER 33 Ca -0.37 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.59 2kk1 h SER 33 Cb 1.25 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 2kk1 h SER 33 CO 0.99 0.45 0.04 0.00 -1.14 0.00 0.00 176.83 177.17 2kk1 h ALA 34 N 1.59 1.82 0.00 3.77 0.00 -1.92 -1.03 119.26 123.48 2kk1 h ALA 34 Ca 0.33 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.05 2kk1 h ALA 34 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2kk1 h ALA 34 CO -0.11 -0.06 -1.21 0.22 0.00 0.00 0.00 179.25 178.08 2kk1 h ASP 35 N 0.00 0.00 0.39 0.00 3.58 -1.51 -3.29 116.42 115.59 2kk1 h ASP 35 Ca 0.02 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 2kk1 h ASP 35 Cb 0.10 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2kk1 h ASP 35 CO -0.00 0.72 -0.31 0.50 -2.88 0.00 0.00 179.24 177.27 2kk1 h LYS 36 N 0.00 0.00 -5.48 0.28 3.11 -0.71 -3.42 116.57 110.36 2kk1 h LYS 36 Ca -0.13 0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.45 2kk1 h LYS 36 Cb 1.66 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.89 2kk1 h LYS 36 CO 0.07 0.31 0.93 -0.89 -2.81 0.00 0.00 179.45 177.06 2kk1 n ILE 37 N -4.00 -0.05 -2.74 2.00 2.08 -0.78 -4.94 119.36 110.93 2kk1 n ILE 37 Ca -0.02 -0.66 -0.28 0.00 0.56 0.00 0.00 62.75 62.35 2kk1 n ILE 37 Cb 0.37 -2.40 -0.01 0.00 -0.75 0.00 0.00 39.64 36.85 2kk1 n ILE 37 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2kk1 s SER 38 N 11.53 6.32 0.12 4.38 0.01 -1.26 -4.75 113.70 130.04 2kk1 s SER 38 Ca 0.97 0.93 -0.27 0.00 1.31 0.00 0.00 55.95 58.89 2kk1 s SER 38 Cb -0.17 -2.25 -0.07 0.00 0.21 0.00 0.00 66.02 63.74 2kk1 s SER 38 CO 0.19 -0.52 1.63 0.50 0.41 0.00 0.00 173.24 175.46 2kk1 h LYS 39 N 0.50 -0.43 -1.01 12.44 3.64 -1.99 -1.46 116.57 128.27 2kk1 h LYS 39 Ca -0.47 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.03 2kk1 h LYS 39 Cb 1.20 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 33.04 2kk1 h LYS 39 CO 0.62 -0.28 0.64 1.05 -2.27 0.00 0.00 179.45 179.21 2kk1 h GLU 40 N -0.44 1.05 -0.80 1.90 4.11 -1.99 -1.74 114.58 116.67 2kk1 h GLU 40 Ca 0.05 -0.06 0.02 0.00 0.07 0.00 0.00 59.36 59.43 2kk1 h GLU 40 Cb 0.50 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2kk1 h GLU 40 CO -0.20 0.70 0.52 0.00 0.07 0.00 0.00 179.01 180.10 2kk1 h ALA 41 N 1.50 1.03 -0.07 1.06 0.00 -1.68 0.27 119.26 121.37 2kk1 h ALA 41 Ca 0.47 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 2kk1 h ALA 41 Cb 0.34 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2kk1 h ALA 41 CO -0.22 0.39 -0.13 1.25 0.00 0.00 0.00 179.25 180.54 2kk1 h LEU 42 N 1.05 0.23 -0.42 0.00 6.46 -0.97 -3.04 115.31 118.62 2kk1 h LEU 42 Ca 0.30 -0.55 -0.00 0.00 -0.12 0.00 0.00 57.88 57.51 2kk1 h LEU 42 Cb -0.07 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.77 2kk1 h LEU 42 CO -0.08 0.74 0.25 -0.07 -0.62 0.00 0.00 178.44 178.66 2kk1 h LEU 43 N -0.27 0.50 -1.04 2.25 3.38 -1.06 1.00 115.31 120.07 2kk1 h LEU 43 Ca 0.00 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2kk1 h LEU 43 Cb 0.70 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2kk1 h LEU 43 CO 0.03 0.42 0.09 1.05 0.09 0.00 0.00 178.44 180.11 2kk1 h GLU 44 N 0.55 0.78 -0.12 1.13 4.11 -1.06 -1.16 114.58 118.81 2kk1 h GLU 44 Ca 0.15 -0.17 -0.19 0.00 0.07 0.00 0.00 59.36 59.22 2kk1 h GLU 44 Cb 0.01 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2kk1 h GLU 44 CO -0.03 0.72 -0.71 0.00 0.07 0.00 0.00 179.01 179.07 2kk1 h ALA 46 N 0.83 0.77 -0.00 0.00 0.00 -0.40 -2.85 119.26 117.61 2kk1 h ALA 46 Ca -0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2kk1 h ALA 46 Cb 1.30 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kk1 h ALA 46 CO 0.13 0.55 -0.01 0.22 0.00 0.00 0.00 179.25 180.14 2kk1 h ASP 47 N 0.87 0.00 -0.90 0.00 3.58 -1.27 -0.91 116.42 117.79 2kk1 h ASP 47 Ca 0.17 -0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.73 2kk1 h ASP 47 Cb 0.46 -0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.44 2kk1 h ASP 47 CO 0.02 0.02 0.58 -0.07 -2.88 0.00 0.00 179.24 176.90 2kk1 h LEU 48 N 0.00 0.77 -0.12 2.28 3.38 -1.54 -0.49 115.31 119.60 2kk1 h LEU 48 Ca 0.00 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2kk1 h LEU 48 Cb 0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2kk1 h LEU 48 CO 0.00 0.44 -0.15 -0.07 0.09 0.00 0.00 178.44 178.75 2kk1 h LEU 49 N 0.84 0.33 -0.92 1.67 4.07 -1.26 0.21 115.31 120.26 2kk1 h LEU 49 Ca 0.43 -0.51 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 2kk1 h LEU 49 Cb 0.49 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.09 2kk1 h LEU 49 CO -0.19 0.78 0.52 0.77 -1.08 0.00 0.00 178.44 179.23 2kk1 h SER 50 N -0.10 1.14 -0.03 -0.43 4.64 -1.34 0.70 113.55 118.13 2kk1 h SER 50 Ca 0.02 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 2kk1 h SER 50 Cb 0.69 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2kk1 h SER 50 CO 0.04 0.90 -0.01 -1.28 -0.87 0.00 0.00 176.83 175.60 2kk1 h SER 51 N 1.28 0.06 -0.87 4.97 0.87 -1.12 -3.11 113.55 115.63 2kk1 h SER 51 Ca 0.32 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 2kk1 h SER 51 Cb 0.01 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 2kk1 h SER 51 CO -0.05 0.47 0.51 0.00 -0.53 0.00 0.00 176.83 177.23 2kk1 h ALA 52 N 0.59 1.12 0.00 6.23 0.00 -0.64 -2.02 119.26 124.54 2kk1 h ALA 52 Ca 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2kk1 h ALA 52 Cb 0.45 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2kk1 h ALA 52 CO 0.00 0.59 -0.15 -0.07 0.00 0.00 0.00 179.25 179.63 2kk1 h LEU 53 N 1.21 0.00 -0.78 0.00 3.38 -0.95 -2.59 115.31 115.58 2kk1 h LEU 53 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2kk1 h LEU 53 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2kk1 h LEU 53 CO -0.06 0.15 -0.27 0.35 0.09 0.00 0.00 178.44 178.70 2kk1 n THR 54 N -3.42 0.00 -4.52 0.22 -2.24 -0.80 -4.59 114.28 98.93 2kk1 n THR 54 Ca -0.01 -0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.32 2kk1 n THR 54 Cb 0.33 0.72 -0.11 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.40 1.77 -0.17 -0.78 -1.05 -0.96 -5.05 118.70 110.06 2kk1 s GLU 55 Ca 0.25 -1.95 -0.29 0.00 -0.15 0.00 0.00 54.97 52.82 2kk1 s GLU 55 Cb 0.19 -1.41 -0.01 0.00 -0.44 0.00 0.00 34.13 32.46 2kk1 s GLU 55 CO 0.50 -0.00 1.25 -1.25 0.95 0.00 0.00 175.26 176.71 2kk1 s PRO 56 N -3.72 4.22 0.04 -4.83 0.04 -1.26 -4.74 135.00 124.75 2kk1 s PRO 56 Ca 0.33 1.63 -0.06 0.00 0.04 0.00 0.00 61.00 62.94 2kk1 s PRO 56 Cb 0.06 -3.76 -0.01 0.00 0.04 0.00 0.00 34.50 30.83 2kk1 s PRO 56 CO 0.16 -0.71 0.11 0.14 0.04 0.00 0.00 177.00 176.73 2kk1 s VAL 57 N 3.51 0.13 0.26 -0.36 -7.23 -1.25 -4.99 120.40 110.46 2kk1 s VAL 57 Ca 0.54 -1.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.32 2kk1 s VAL 57 Cb -0.21 -0.93 -0.10 0.00 0.56 0.00 0.00 36.38 35.70 2kk1 s VAL 57 CO 0.14 -0.60 1.46 -2.16 -0.31 0.00 0.00 175.10 173.63 2kk1 s PRO 58 N -2.69 4.25 0.31 4.82 0.04 -1.26 -4.28 135.00 136.18 2kk1 s PRO 58 Ca -0.04 2.34 0.02 0.00 0.04 0.00 0.00 61.00 63.36 2kk1 s PRO 58 Cb -0.01 -3.09 0.57 0.00 0.04 0.00 0.00 34.50 32.01 2kk1 s PRO 58 CO -0.05 -0.44 1.91 -0.91 0.04 0.00 0.00 177.00 177.55 2kk1 h ASN 59 N 4.92 0.87 -0.74 6.66 -0.26 -1.29 -0.74 115.58 124.99 2kk1 h ASN 59 Ca -0.46 0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.33 2kk1 h ASN 59 Cb 1.22 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 38.26 2kk1 h ASN 59 CO 0.77 0.55 0.49 0.28 -1.06 0.00 0.00 177.43 178.46 2kk1 h SER 60 N 0.98 0.75 -0.27 5.81 0.02 -1.92 -1.22 113.55 117.71 2kk1 h SER 60 Ca 0.38 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.30 2kk1 h SER 60 Cb 0.23 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2kk1 h SER 60 CO -0.15 0.51 0.03 -0.61 -1.14 0.00 0.00 176.83 175.48 2kk1 h GLN 61 N 0.87 0.45 -0.05 3.45 -0.00 -1.52 -1.90 115.11 116.40 2kk1 h GLN 61 Ca 0.30 -0.12 0.02 0.00 -0.00 0.00 0.00 58.65 58.85 2kk1 h GLN 61 Cb 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 27.48 27.51 2kk1 h GLN 61 CO -0.09 0.57 -0.08 -0.07 0.00 0.00 0.00 178.83 179.16 2kk1 h LEU 62 N 0.25 -0.26 -0.52 -2.39 3.38 -1.02 0.15 115.31 114.90 2kk1 h LEU 62 Ca 0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2kk1 h LEU 62 Cb 0.35 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2kk1 h LEU 62 CO 0.01 -0.12 0.34 0.58 0.09 0.00 0.00 178.44 179.33 2kk1 h VAL 63 N -0.12 1.14 -0.14 1.22 2.07 -1.23 0.80 116.25 119.99 2kk1 h VAL 63 Ca 0.05 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 2kk1 h VAL 63 Cb 0.19 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2kk1 h VAL 63 CO -0.13 0.14 -0.22 -0.78 0.02 0.00 0.00 177.57 176.60 2kk1 h ASP 64 N 0.70 0.44 0.03 0.57 3.58 -1.20 0.99 116.42 121.54 2kk1 h ASP 64 Ca 0.19 -0.53 -0.02 0.00 0.42 0.00 0.00 57.03 57.09 2kk1 h ASP 64 Cb -0.06 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 2kk1 h ASP 64 CO -0.04 0.89 -0.06 0.74 -2.88 0.00 0.00 179.24 177.88 2kk1 h THR 65 N 0.02 1.08 -0.02 2.25 2.02 -0.64 -1.54 112.91 116.08 2kk1 h THR 65 Ca 0.01 -0.36 -0.22 0.00 0.77 0.00 0.00 66.41 66.62 2kk1 h THR 65 Cb 0.79 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2kk1 h THR 65 CO 0.05 0.11 -0.90 1.23 0.37 0.00 0.00 175.52 176.39 2kk1 h GLY 66 N 0.36 0.49 0.65 2.16 0.00 -0.66 -3.33 103.07 102.72 2kk1 h GLY 66 Ca 0.02 -0.81 0.07 0.00 0.00 0.00 0.00 47.33 46.61 2kk1 h GLY 66 CO 0.01 0.72 0.48 0.84 0.00 0.00 0.00 176.54 178.59 2kk1 h HIS 67 N 0.26 0.89 -0.43 5.60 6.17 0.24 -1.50 115.15 126.38 2kk1 h HIS 67 Ca -0.07 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.03 2kk1 h HIS 67 Cb 1.52 -0.28 -0.02 0.00 2.52 0.00 0.00 27.41 31.15 2kk1 h HIS 67 CO 0.06 0.42 0.24 -0.56 0.71 0.00 0.00 177.93 178.80 2kk1 h GLN 68 N 0.86 0.57 -0.05 5.26 3.07 -1.60 -1.54 115.11 121.69 2kk1 h GLN 68 Ca 0.37 -0.05 0.01 0.00 0.09 0.00 0.00 58.65 59.07 2kk1 h GLN 68 Cb 0.24 -0.12 -0.00 0.00 0.08 0.00 0.00 27.48 27.68 2kk1 h GLN 68 CO -0.20 0.42 0.03 -0.07 0.09 0.00 0.00 178.83 179.10 2kk1 h LEU 69 N 0.59 0.00 -0.91 0.06 -0.00 -1.40 0.23 115.31 113.88 2kk1 h LEU 69 Ca 0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.98 2kk1 h LEU 69 Cb -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 2kk1 h LEU 69 CO -0.03 0.00 0.16 -0.07 -0.00 0.00 0.00 178.44 178.50 2kk1 h LEU 70 N 0.00 0.90 0.15 1.67 -0.00 -1.26 0.14 115.31 116.92 2kk1 h LEU 70 Ca 0.02 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.88 57.72 2kk1 h LEU 70 Cb 0.09 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.52 2kk1 h LEU 70 CO -0.00 0.87 -0.07 -0.78 -0.00 0.00 0.00 178.44 178.46 2kk1 h ASP 71 N 0.92 -0.18 -0.17 -0.43 1.82 -1.01 0.15 116.42 117.53 2kk1 h ASP 71 Ca 0.20 -0.27 0.04 0.00 -0.39 0.00 0.00 57.03 56.61 2kk1 h ASP 71 Cb 0.32 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.33 2kk1 h ASP 71 CO -0.00 0.20 -0.10 1.88 -1.61 0.00 0.00 179.24 179.61 2kk1 h TYR 72 N -0.58 -0.23 -0.65 0.28 0.05 -1.28 -2.62 116.97 111.94 2kk1 h TYR 72 Ca -0.02 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 2kk1 h TYR 72 Cb 0.44 0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.28 2kk1 h TYR 72 CO 0.04 -0.15 0.29 0.00 -1.05 0.00 0.00 178.16 177.29 2kk1 h SER 74 N 0.91 0.39 0.00 0.00 0.87 -0.39 -0.09 113.55 115.24 2kk1 h SER 74 Ca 0.22 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.68 2kk1 h SER 74 Cb 0.15 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2kk1 h SER 74 CO -0.02 0.20 -0.76 1.23 -0.53 0.00 0.00 176.83 176.95 2kk1 h GLY 75 N 0.42 0.00 1.27 5.77 0.00 -1.11 -3.40 103.07 106.01 2kk1 h GLY 75 Ca 0.38 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.73 2kk1 h GLY 75 CO -0.12 0.00 0.45 -1.82 0.00 0.00 0.00 176.54 175.05 2kk1 h TYR 76 N -1.00 0.82 -0.54 5.60 3.20 -0.64 -1.80 116.97 122.61 2kk1 h TYR 76 Ca -0.19 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.75 2kk1 h TYR 76 Cb 1.05 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 2kk1 h TYR 76 CO 0.10 0.50 0.36 -0.24 -1.64 0.00 0.00 178.16 177.24 2kk1 h VAL 77 N 0.87 1.01 0.00 1.81 3.04 -1.23 -0.23 116.25 121.52 2kk1 h VAL 77 Ca 0.26 -0.18 -0.04 0.00 -1.01 0.00 0.00 66.70 65.73 2kk1 h VAL 77 Cb -0.01 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 29.69 2kk1 h VAL 77 CO -0.07 0.10 -0.19 -0.78 -1.01 0.00 0.00 177.57 175.62 2kk1 h ASP 78 N 0.53 0.00 1.85 3.17 3.58 -1.53 -3.09 116.42 120.93 2kk1 h ASP 78 Ca 0.23 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 2kk1 h ASP 78 Cb 0.23 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 2kk1 h ASP 78 CO -0.06 0.19 -0.10 0.00 -2.88 0.00 0.00 179.24 176.39 2kk1 s ILE 80 N -3.19 3.45 -0.30 0.00 1.01 -0.87 -4.89 121.20 116.41 2kk1 s ILE 80 Ca 0.06 0.52 0.27 0.00 0.00 0.00 0.00 60.65 61.50 2kk1 s ILE 80 Cb 0.06 -3.42 0.34 0.00 0.01 0.00 0.00 42.46 39.45 2kk1 s ILE 80 CO 0.68 -0.14 1.77 -0.65 0.00 0.00 0.00 174.94 176.60 2kk1 h PRO 81 N 11.00 0.00 -4.69 2.79 0.11 -1.90 -3.43 132.00 135.89 2kk1 h PRO 81 Ca -0.39 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.03 2kk1 h PRO 81 Cb 1.19 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.09 2kk1 h PRO 81 CO 0.97 0.00 -0.49 -0.65 -0.21 0.00 0.00 178.00 177.62 2kk1 s GLN 82 N -3.36 3.31 0.40 1.05 -0.21 -1.26 -4.97 119.66 114.62 2kk1 s GLN 82 Ca 0.05 -0.76 0.07 0.00 0.02 0.00 0.00 55.36 54.75 2kk1 s GLN 82 Cb 0.08 -3.77 0.84 0.00 1.00 0.00 0.00 33.01 31.16 2kk1 s GLN 82 CO 0.59 -0.51 2.02 1.15 -2.12 0.00 0.00 175.29 176.42 2kk1 h THR 83 N 5.59 1.12 -0.12 -0.19 2.02 -1.98 0.16 112.91 119.51 2kk1 h THR 83 Ca -0.30 -0.32 0.04 0.00 0.77 0.00 0.00 66.41 66.59 2kk1 h THR 83 Cb 1.14 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 2kk1 h THR 83 CO 0.65 0.13 -0.15 0.03 0.37 0.00 0.00 175.52 176.55 2kk1 h ARG 84 N 0.48 -0.19 -0.42 6.66 2.47 -1.98 0.13 114.38 121.52 2kk1 h ARG 84 Ca 0.12 0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.73 2kk1 h ARG 84 Cb 0.04 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 2kk1 h ARG 84 CO -0.02 -0.12 -0.24 -0.91 0.56 0.00 0.00 179.97 179.24 2kk1 h ASN 85 N -0.19 0.90 -0.38 7.04 4.21 -1.81 -2.85 115.58 122.51 2kk1 h ASN 85 Ca 0.09 -0.34 -0.01 0.00 1.21 0.00 0.00 56.30 57.25 2kk1 h ASN 85 Cb 0.33 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 2kk1 h ASN 85 CO -0.24 1.10 0.19 0.50 -1.29 0.00 0.00 177.43 177.69 2kk1 h LYS 86 N 0.76 0.54 -0.30 0.81 3.64 -0.16 0.29 116.57 122.15 2kk1 h LYS 86 Ca 0.10 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.23 2kk1 h LYS 86 Cb 0.79 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2kk1 h LYS 86 CO 0.07 0.47 -0.47 0.35 -2.27 0.00 0.00 179.45 177.60 2kk1 h PHE 87 N 0.48 1.05 -0.52 1.91 3.57 -0.84 0.17 116.94 122.76 2kk1 h PHE 87 Ca 0.13 -0.36 -0.00 0.00 3.53 0.00 0.00 57.97 61.27 2kk1 h PHE 87 Cb 0.10 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2kk1 h PHE 87 CO -0.02 1.17 0.31 0.00 -2.23 0.00 0.00 178.31 177.55 2kk1 h ALA 88 N 0.69 1.57 -0.25 2.41 0.00 -1.30 -0.10 119.26 122.29 2kk1 h ALA 88 Ca 0.03 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2kk1 h ALA 88 Cb 1.07 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2kk1 h ALA 88 CO 0.11 0.38 -0.40 0.35 0.00 0.00 0.00 179.25 179.68 2kk1 h PHE 89 N 0.72 0.88 0.09 0.00 3.57 -0.17 -1.89 116.94 120.14 2kk1 h PHE 89 Ca 0.19 -0.30 0.02 0.00 3.53 0.00 0.00 57.97 61.40 2kk1 h PHE 89 Cb -0.03 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 2kk1 h PHE 89 CO 0.00 1.08 -0.18 0.00 -2.23 0.00 0.00 178.31 176.98 2kk1 h ARG 90 N 0.44 -0.33 -0.74 1.11 2.47 0.03 0.27 114.38 117.62 2kk1 h ARG 90 Ca 0.02 0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 2kk1 h ARG 90 Cb 1.00 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.36 2kk1 h ARG 90 CO 0.09 -0.22 0.27 1.05 0.56 0.00 0.00 179.97 181.72 2kk1 h GLU 91 N -0.34 1.13 -0.50 0.04 4.11 -1.10 0.17 114.58 118.09 2kk1 h GLU 91 Ca 0.03 -0.22 0.03 0.00 0.07 0.00 0.00 59.36 59.26 2kk1 h GLU 91 Cb 0.37 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2kk1 h GLU 91 CO -0.11 0.94 0.29 0.00 0.07 0.00 0.00 179.01 180.20 2kk1 h ALA 92 N 1.13 0.64 -0.60 1.06 0.00 -1.11 0.12 119.26 120.51 2kk1 h ALA 92 Ca 0.24 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2kk1 h ALA 92 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2kk1 h ALA 92 CO -0.01 -0.02 0.01 0.28 0.00 0.00 0.00 179.25 179.50 2kk1 h VAL 93 N 0.57 1.26 -0.06 0.00 2.07 -0.65 -1.57 116.25 117.87 2kk1 h VAL 93 Ca 0.21 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2kk1 h VAL 93 Cb 0.05 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2kk1 h VAL 93 CO -0.11 0.41 -0.05 0.28 0.02 0.00 0.00 177.57 178.12 2kk1 h SER 94 N 0.96 0.08 -0.14 0.57 0.02 0.01 -0.99 113.55 114.07 2kk1 h SER 94 Ca 0.17 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 2kk1 h SER 94 Cb 0.54 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2kk1 h SER 94 CO 0.03 0.15 -0.21 0.11 -1.14 0.00 0.00 176.83 175.77 2kk1 h LYS 95 N 0.09 0.38 0.12 3.45 1.57 -0.42 -3.15 116.57 118.60 2kk1 h LYS 95 Ca 0.02 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2kk1 h LYS 95 Cb 0.16 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2kk1 h LYS 95 CO 0.01 0.81 -0.11 1.25 -0.57 0.00 0.00 179.45 180.84 2kk1 h LEU 96 N -0.02 -0.29 -0.60 2.94 5.85 -0.33 -0.86 115.31 122.00 2kk1 h LEU 96 Ca 0.01 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2kk1 h LEU 96 Cb 0.78 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 2kk1 h LEU 96 CO 0.05 -0.17 0.33 1.05 -0.34 0.00 0.00 178.44 179.36 2kk1 h GLU 97 N -0.25 0.83 0.00 1.25 4.11 -1.36 0.28 114.58 119.45 2kk1 h GLU 97 Ca 0.00 -0.09 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 2kk1 h GLU 97 Cb 0.24 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kk1 h GLU 97 CO -0.03 0.63 -0.00 -0.07 0.07 0.00 0.00 179.01 179.61 2kk1 h LEU 98 N 0.81 -0.00 -2.02 3.06 -0.00 -1.49 -0.62 115.31 115.06 2kk1 h LEU 98 Ca 0.21 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 58.02 2kk1 h LEU 98 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.70 2kk1 h LEU 98 CO -0.03 0.05 -0.08 0.77 -0.00 0.00 0.00 178.44 179.14 2kk1 h SER 99 N -0.06 0.00 -0.09 -0.43 4.64 -0.92 -0.62 113.55 116.07 2kk1 h SER 99 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2kk1 h SER 99 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2kk1 h SER 99 CO 0.00 0.08 -0.22 -0.07 -0.87 0.00 0.00 176.83 175.75 2kk1 h LEU 100 N 0.00 0.36 -0.49 5.97 3.38 -0.46 -2.78 115.31 121.29 2kk1 h LEU 100 Ca -0.00 -0.58 -0.17 0.00 0.09 0.00 0.00 57.88 57.23 2kk1 h LEU 100 Cb 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2kk1 h LEU 100 CO 0.01 0.87 -0.74 0.06 0.09 0.00 0.00 178.44 178.73 2kk1 h GLN 101 N -0.14 0.16 0.00 1.13 3.07 -0.65 -2.56 115.11 116.12 2kk1 h GLN 101 Ca -0.00 -0.14 -0.15 0.00 0.09 0.00 0.00 58.65 58.46 2kk1 h GLN 101 Cb 0.82 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.39 2kk1 h GLN 101 CO 0.05 0.83 -0.69 1.05 0.09 0.00 0.00 178.83 180.15 2kk1 h GLU 102 N 0.10 0.00 0.32 0.06 4.11 -1.25 -3.29 114.58 114.63 2kk1 h GLU 102 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 2kk1 h GLU 102 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2kk1 h GLU 102 CO 0.11 0.69 -0.15 1.25 0.07 0.00 0.00 179.01 180.98 2kk1 h LEU 103 N 0.00 -0.36 -1.39 3.06 5.85 -1.34 -2.58 115.31 118.55 2kk1 h LEU 103 Ca -0.01 -0.18 0.17 0.00 0.84 0.00 0.00 57.88 58.70 2kk1 h LEU 103 Cb 1.23 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.29 2kk1 h LEU 103 CO 0.09 0.03 0.57 0.06 -0.34 0.00 0.00 178.44 178.85 2kk1 h GLN 104 N -0.81 0.54 0.00 1.25 3.07 -1.56 0.55 115.11 118.16 2kk1 h GLN 104 Ca -0.04 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.63 2kk1 h GLN 104 Cb 0.52 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.95 2kk1 h GLN 104 CO 0.07 0.36 -0.41 -0.39 0.09 0.00 0.00 178.83 178.55 2kk1 h VAL 105 N 0.56 0.21 -0.31 1.86 -1.51 -1.63 -3.32 116.25 112.11 2kk1 h VAL 105 Ca 0.45 -1.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 2kk1 h VAL 105 Cb 0.89 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 32.04 2kk1 h VAL 105 CO -0.19 0.12 0.00 -1.20 -1.23 0.00 0.00 177.57 175.07 2kk1 n SER 106 N -3.02 3.24 0.02 4.19 7.64 0.51 -4.78 113.62 121.42 2kk1 n SER 106 Ca 0.02 -2.36 -0.01 0.00 1.01 0.00 0.00 58.87 57.53 2kk1 n SER 106 Cb 0.60 -0.34 -0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2kk1 n SER 106 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2kk1 h SER 107 N 1.89 -0.05 0.00 6.43 4.64 -0.16 -3.46 113.55 122.83 2kk1 h SER 107 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kk1 h SER 107 Cb 0.98 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2kk1 h SER 107 CO 0.08 -0.03 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 2kk1 n ALA 108 N -2.04 0.00 -1.91 5.18 0.00 -1.26 -4.91 120.51 115.57 2kk1 n ALA 108 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2kk1 n ALA 108 Cb 0.03 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.56 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 0.00 2.86 -0.14 0.00 0.00 -1.26 -5.06 121.76 118.16 2kk1 s ALA 109 Ca 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.08 2kk1 s ALA 109 Cb 0.00 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 2kk1 s ALA 109 CO 0.00 -1.54 -0.19 0.00 0.00 0.00 0.00 175.76 174.03 2kk1 n ALA 110 N -3.16 0.48 -2.69 0.00 0.00 -1.26 -4.74 120.51 109.12 2kk1 n ALA 110 Ca 0.08 -0.45 -0.06 0.00 0.00 0.00 0.00 53.44 53.02 2kk1 n ALA 110 Cb 0.61 0.02 0.11 0.00 0.00 0.00 0.00 19.45 20.18 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 1.61 1.55 3.66 0.00 0.00 -1.26 -0.86 105.19 109.89 2kk1 n GLY 111 Ca -0.08 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.40 4.86 0.06 1.61 1.01 -1.26 -3.90 120.40 122.38 2kk1 s VAL 112 Ca 0.20 1.59 -0.30 0.00 0.00 0.00 0.00 61.98 63.46 2kk1 s VAL 112 Cb 0.42 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 2kk1 s VAL 112 CO -0.08 -0.02 1.86 -2.16 0.00 0.00 0.00 175.10 174.70 2kk1 s PRO 113 N 2.46 4.15 -1.70 2.72 0.04 -1.26 -2.23 135.00 139.18 2kk1 s PRO 113 Ca 0.36 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.94 2kk1 s PRO 113 Cb -0.16 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.47 2kk1 s PRO 113 CO 0.10 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.66 2kk1 n GLY 114 N 4.35 0.15 0.25 0.56 0.00 -1.26 -4.89 105.19 104.35 2kk1 n GLY 114 Ca 0.19 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 1.16 -3.89 2.61 1.03 -1.87 -3.43 112.91 108.53 2kk1 h THR 115 Ca -0.43 -0.66 -0.54 0.00 -0.01 0.00 0.00 66.41 64.77 2kk1 h THR 115 Cb 1.30 1.07 -0.31 0.00 -1.07 0.00 0.00 68.15 69.14 2kk1 h THR 115 CO 0.54 0.22 -0.83 0.20 -0.01 0.00 0.00 175.52 175.63 2kk1 s ASN 116 N -6.85 1.98 0.56 0.00 0.01 -1.26 -5.03 114.94 104.36 2kk1 s ASN 116 Ca -0.06 -0.32 0.28 0.00 -0.71 0.00 0.00 52.86 52.05 2kk1 s ASN 116 Cb 0.16 -0.55 1.47 0.00 0.41 0.00 0.00 41.25 42.74 2kk1 s ASN 116 CO 0.73 0.14 1.94 -0.65 -1.51 0.00 0.00 177.10 177.75 2kk1 h PRO 117 N 6.28 0.00 -0.28 -0.60 0.11 -2.00 -0.75 132.00 134.76 2kk1 h PRO 117 Ca -0.33 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.86 2kk1 h PRO 117 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2kk1 h PRO 117 CO 0.48 0.00 0.22 0.28 -0.21 0.00 0.00 178.00 178.77 2kk1 h VAL 118 N 0.00 0.75 -0.52 3.15 2.07 -1.96 0.36 116.25 120.11 2kk1 h VAL 118 Ca 0.26 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.75 2kk1 h VAL 118 Cb 1.18 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2kk1 h VAL 118 CO -0.00 0.00 0.18 -0.07 0.02 0.00 0.00 177.57 177.70 2kk1 h LEU 119 N 0.00 0.69 -0.67 2.57 3.38 -1.50 -0.35 115.31 119.44 2kk1 h LEU 119 Ca 0.13 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2kk1 h LEU 119 Cb 0.57 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2kk1 h LEU 119 CO -0.00 0.65 -0.55 -1.13 0.09 0.00 0.00 178.44 177.49 2kk1 h ASN 120 N 0.75 0.36 -0.24 -0.43 -1.24 -1.10 -1.21 115.58 112.47 2kk1 h ASN 120 Ca 0.18 -0.19 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 2kk1 h ASN 120 Cb 0.19 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 2kk1 h ASN 120 CO -0.01 0.84 0.13 0.78 -1.29 0.00 0.00 177.43 177.88 2kk1 h ASN 121 N 0.25 0.29 -0.19 1.15 2.35 -0.87 0.15 115.58 118.71 2kk1 h ASN 121 Ca 0.00 -0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 2kk1 h ASN 121 Cb 1.05 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.31 2kk1 h ASN 121 CO 0.09 0.29 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.07 2kk1 h LEU 122 N 0.27 -0.12 -0.38 1.61 3.38 -1.00 0.37 115.31 119.43 2kk1 h LEU 122 Ca 0.08 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.17 2kk1 h LEU 122 Cb 0.06 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2kk1 h LEU 122 CO -0.01 -0.04 -0.03 0.25 0.09 0.00 0.00 178.44 178.70 2kk1 h LEU 123 N 0.03 -0.22 -0.99 1.67 5.85 -0.96 0.85 115.31 121.53 2kk1 h LEU 123 Ca 0.09 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2kk1 h LEU 123 Cb 0.12 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2kk1 h LEU 123 CO -0.17 -0.07 0.32 -1.28 -0.34 0.00 0.00 178.44 176.90 2kk1 h SER 124 N 0.07 0.95 -0.03 1.25 0.87 -0.44 -0.25 113.55 115.96 2kk1 h SER 124 Ca 0.19 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2kk1 h SER 124 Cb 0.27 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2kk1 h SER 124 CO -0.34 0.82 0.01 0.00 -0.53 0.00 0.00 176.83 176.80 2kk1 h VAL 126 N -0.09 1.13 -0.88 0.00 2.07 -0.60 -0.28 116.25 117.61 2kk1 h VAL 126 Ca 0.01 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.23 2kk1 h VAL 126 Cb 0.15 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 2kk1 h VAL 126 CO -0.00 0.13 0.57 1.56 0.02 0.00 0.00 177.57 179.86 2kk1 h GLN 127 N 0.31 0.98 0.29 1.57 4.20 -1.06 -1.17 115.11 120.22 2kk1 h GLN 127 Ca 0.09 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2kk1 h GLN 127 Cb 0.09 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2kk1 h GLN 127 CO -0.01 0.65 -0.14 1.49 -0.67 0.00 0.00 178.83 180.14 2kk1 h GLU 128 N 1.01 -0.37 0.12 1.46 4.57 -0.91 -2.34 114.58 118.10 2kk1 h GLU 128 Ca 0.37 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.60 2kk1 h GLU 128 Cb 0.18 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 2kk1 h GLU 128 CO -0.14 -0.06 -0.37 0.82 -1.18 0.00 0.00 179.01 178.08 2kk1 h ILE 129 N -0.70 0.24 -0.54 2.32 2.04 -0.74 0.31 117.51 120.44 2kk1 h ILE 129 Ca -0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.87 2kk1 h ILE 129 Cb 0.48 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 2kk1 h ILE 129 CO 0.06 0.00 0.36 0.77 0.00 0.00 0.00 178.15 179.35 2kk1 h SER 130 N -0.60 0.48 0.29 1.72 4.64 -1.33 -1.20 113.55 117.56 2kk1 h SER 130 Ca 0.03 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.17 2kk1 h SER 130 Cb 0.63 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2kk1 h SER 130 CO -0.22 0.32 -0.70 -0.78 -0.87 0.00 0.00 176.83 174.58 2kk1 h ASP 131 N 0.55 0.42 -0.07 4.97 3.58 -0.77 -3.15 116.42 121.95 2kk1 h ASP 131 Ca 0.23 -0.27 -0.06 0.00 0.42 0.00 0.00 57.03 57.34 2kk1 h ASP 131 Cb 0.20 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2kk1 h ASP 131 CO -0.06 1.00 -0.12 0.58 -2.88 0.00 0.00 179.24 177.75 2kk1 h VAL 132 N 0.25 1.21 0.00 2.25 2.07 0.78 -1.15 116.25 121.66 2kk1 h VAL 132 Ca -0.02 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2kk1 h VAL 132 Cb 1.26 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2kk1 h VAL 132 CO 0.12 0.30 0.00 0.52 0.02 0.00 0.00 177.57 178.53 2kk1 n VAL 133 N -4.23 1.04 0.12 2.57 0.31 -0.86 -2.31 118.33 114.96 2kk1 n VAL 133 Ca 0.00 0.39 0.10 0.00 -0.01 0.00 0.00 64.34 64.81 2kk1 n VAL 133 Cb 0.30 -1.31 0.19 0.00 -0.91 0.00 0.00 33.84 32.12 2kk1 n VAL 133 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kk1 n GLN 134 N -2.03 2.36 0.00 5.55 6.02 -0.44 -5.13 117.38 123.72 2kk1 n GLN 134 Ca 0.01 -2.14 0.10 0.00 -0.01 0.00 0.00 57.00 54.96 2kk1 n GLN 134 Cb 0.15 -1.43 0.61 0.00 1.02 0.00 0.00 30.24 30.59 2kk1 n GLN 134 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59