#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 -0.26 -0.45 3.03 0.00 -1.26 -4.91 107.32 103.47 2kk1 s GLY 2 Ca 0.00 -1.80 -0.27 0.00 0.00 0.00 0.00 44.72 42.65 2kk1 s GLY 2 CO 0.00 3.80 1.02 -2.38 0.00 0.00 0.00 173.10 175.54 2kk1 s HIS 3 N 12.82 2.91 0.07 1.90 0.00 -1.26 -5.02 115.29 126.71 2kk1 s HIS 3 Ca 0.74 0.62 0.03 0.00 -3.00 0.00 0.00 55.06 53.45 2kk1 s HIS 3 Cb -0.03 -4.11 -0.03 0.00 -4.00 0.00 0.00 32.58 24.40 2kk1 s HIS 3 CO 0.12 -1.12 -0.10 -1.01 -1.00 0.00 0.00 174.74 171.63 2kk1 s HIS 4 N 4.01 0.95 -0.25 0.38 4.02 -1.26 -5.16 115.29 117.97 2kk1 s HIS 4 Ca 0.42 -0.57 -0.15 0.00 1.02 0.00 0.00 55.06 55.79 2kk1 s HIS 4 Cb -0.09 -0.54 0.07 0.00 -1.02 0.00 0.00 32.58 31.01 2kk1 s HIS 4 CO 0.27 -0.03 0.63 -3.38 1.02 0.00 0.00 174.74 173.25 2kk1 s HIS 5 N -1.84 -0.95 -0.05 1.40 0.00 -1.26 -5.16 115.29 107.43 2kk1 s HIS 5 Ca -0.02 1.93 -0.01 0.00 -3.00 0.00 0.00 55.06 53.97 2kk1 s HIS 5 Cb -0.07 0.54 0.03 0.00 -4.00 0.00 0.00 32.58 29.08 2kk1 s HIS 5 CO 0.00 -0.48 0.01 -1.01 -1.00 0.00 0.00 174.74 172.26 2kk1 s HIS 6 N 1.51 0.42 -0.20 0.38 4.02 -1.26 -5.12 115.29 115.05 2kk1 s HIS 6 Ca -0.09 -0.02 -0.03 0.00 1.02 0.00 0.00 55.06 55.93 2kk1 s HIS 6 Cb -0.06 -0.58 0.06 0.00 -1.02 0.00 0.00 32.58 30.98 2kk1 s HIS 6 CO -0.17 -0.22 0.05 -1.58 1.02 0.00 0.00 174.74 173.84 2kk1 s HIS 7 N 1.57 0.87 0.46 1.40 5.65 -1.26 -5.15 115.29 118.84 2kk1 s HIS 7 Ca -0.02 -0.79 0.08 0.00 0.25 0.00 0.00 55.06 54.58 2kk1 s HIS 7 Cb -0.13 -0.99 0.01 0.00 -1.18 0.00 0.00 32.58 30.29 2kk1 s HIS 7 CO -0.03 -0.61 0.47 -3.38 -0.65 0.00 0.00 174.74 170.53 2kk1 s HIS 8 N 1.91 2.32 -0.31 3.88 -0.00 -1.26 -5.08 115.29 116.76 2kk1 s HIS 8 Ca 0.00 -0.58 -0.29 0.00 -0.00 0.00 0.00 55.06 54.19 2kk1 s HIS 8 Cb -0.17 -2.15 0.02 0.00 -0.00 0.00 0.00 32.58 30.27 2kk1 s HIS 8 CO -0.10 -0.38 1.09 0.45 -0.00 0.00 0.00 174.74 175.80 2kk1 s SER 9 N -4.26 6.93 -0.55 7.38 0.15 -1.26 -5.00 113.70 117.09 2kk1 s SER 9 Ca 0.48 1.10 -0.28 0.00 0.70 0.00 0.00 55.95 57.95 2kk1 s SER 9 Cb -0.04 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 2kk1 s SER 9 CO 0.29 -0.87 1.27 -2.28 1.20 0.00 0.00 173.24 172.85 2kk1 s HIS 10 N 3.65 2.51 0.61 3.44 2.46 -1.26 -5.02 115.29 121.69 2kk1 s HIS 10 Ca 0.46 0.48 -0.18 0.00 0.47 0.00 0.00 55.06 56.29 2kk1 s HIS 10 Cb -0.13 -4.46 -0.02 0.00 -0.13 0.00 0.00 32.58 27.84 2kk1 s HIS 10 CO 0.15 -1.71 1.20 -1.64 -2.47 0.00 0.00 174.74 170.27 2kk1 s MET 11 N 5.07 2.87 0.94 2.88 1.00 -1.26 -4.99 119.30 125.81 2kk1 s MET 11 Ca 0.48 1.78 -0.11 0.00 0.00 0.00 0.00 55.69 57.84 2kk1 s MET 11 Cb -0.09 -1.92 0.16 0.00 0.00 0.00 0.00 34.83 32.98 2kk1 s MET 11 CO 0.27 -1.28 1.11 0.00 0.00 0.00 0.00 175.02 175.12 2kk1 s ALA 12 N -1.70 1.25 0.44 3.03 0.00 -1.26 -4.90 121.76 118.61 2kk1 s ALA 12 Ca 0.76 0.37 0.28 0.00 0.00 0.00 0.00 51.96 53.37 2kk1 s ALA 12 Cb -0.29 -3.37 1.50 0.00 0.00 0.00 0.00 23.12 20.95 2kk1 s ALA 12 CO 0.35 -2.78 2.10 -0.91 0.00 0.00 0.00 175.76 174.51 2kk1 h ASN 13 N -1.88 0.00 0.00 0.00 4.21 -2.03 -3.13 115.58 112.75 2kk1 h ASN 13 Ca -0.47 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 56.94 2kk1 h ASN 13 Cb 1.28 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.46 2kk1 h ASN 13 CO 0.45 0.10 -0.54 1.23 -1.29 0.00 0.00 177.43 177.38 2kk1 h GLY 14 N 0.73 0.00 0.00 2.83 0.00 -2.04 -3.48 103.07 101.11 2kk1 h GLY 14 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kk1 h GLY 14 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 2kk1 n ALA 15 N -2.95 0.00 -3.05 3.60 0.00 -1.19 -4.58 120.51 112.34 2kk1 n ALA 15 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2kk1 n ALA 15 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2kk1 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 n ALA 16 N 0.00 0.00 -1.36 0.00 0.00 -1.26 -5.03 120.51 112.86 2kk1 n ALA 16 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2kk1 n ALA 16 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2kk1 n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kk1 n GLY 17 N 0.46 2.74 0.28 0.00 0.00 -1.26 -4.78 105.19 102.62 2kk1 n GLY 17 Ca 0.00 -1.28 0.04 0.00 0.00 0.00 0.00 46.02 44.78 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 4.57 0.30 -0.73 2.61 2.02 -1.97 0.38 112.91 120.10 2kk1 h THR 18 Ca 0.43 -0.02 0.10 0.00 0.77 0.00 0.00 66.41 67.68 2kk1 h THR 18 Cb 0.69 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 2kk1 h THR 18 CO 1.87 0.01 0.48 0.07 0.37 0.00 0.00 175.52 178.33 2kk1 h LYS 19 N 0.07 0.61 0.00 6.66 2.10 -1.98 -2.00 116.57 122.03 2kk1 h LYS 19 Ca 0.40 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 59.00 2kk1 h LYS 19 Cb 0.69 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2kk1 h LYS 19 CO -0.70 0.40 -1.77 0.28 -2.00 0.00 0.00 179.45 175.66 2kk1 n VAL 20 N -4.49 0.24 0.08 0.07 0.31 -0.05 -4.34 118.33 110.15 2kk1 n VAL 20 Ca 0.12 -0.53 -0.01 0.00 -0.01 0.00 0.00 64.34 63.91 2kk1 n VAL 20 Cb 0.34 -0.12 0.27 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 1.94 1.24 0.00 3.52 0.00 0.40 -1.79 119.26 124.57 2kk1 h ALA 21 Ca -0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2kk1 h ALA 21 Cb 1.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2kk1 h ALA 21 CO 0.00 0.50 -0.03 -0.07 0.00 0.00 0.00 179.25 179.65 2kk1 h LEU 22 N 0.26 0.00 1.26 0.00 3.38 -1.66 -3.46 115.31 115.09 2kk1 h LEU 22 Ca 0.04 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.61 2kk1 h LEU 22 Cb 0.63 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.25 2kk1 h LEU 22 CO 0.05 0.03 -0.39 -1.14 0.09 0.00 0.00 178.44 177.08 2kk1 n ARG 23 N -3.19 -1.41 0.13 1.13 0.63 -0.67 -4.86 116.66 108.42 2kk1 n ARG 23 Ca -0.01 1.16 -0.01 0.00 -0.92 0.00 0.00 57.85 58.07 2kk1 n ARG 23 Cb 0.24 -5.54 0.15 0.00 0.45 0.00 0.00 32.46 27.76 2kk1 n ARG 23 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2kk1 h LYS 24 N 0.00 0.00 -5.70 -0.14 1.57 -1.85 -3.44 116.57 107.01 2kk1 h LYS 24 Ca -0.42 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.70 2kk1 h LYS 24 Cb 1.30 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.42 2kk1 h LYS 24 CO 0.59 0.63 -0.66 -0.08 -0.57 0.00 0.00 179.45 179.36 2kk1 s THR 25 N -3.46 4.00 0.10 -0.16 -1.32 -1.26 -5.12 115.64 108.42 2kk1 s THR 25 Ca -0.01 -0.34 0.06 0.00 -1.21 0.00 0.00 61.69 60.19 2kk1 s THR 25 Cb 0.12 -2.71 -0.04 0.00 -1.51 0.00 0.00 72.50 68.36 2kk1 s THR 25 CO 0.76 0.55 -0.02 -0.54 -2.21 0.00 0.00 174.62 173.15 2kk1 s LYS 26 N -0.29 2.42 -0.22 7.08 1.02 -1.26 -5.06 119.74 123.43 2kk1 s LYS 26 Ca 0.05 -0.92 -0.16 0.00 0.02 0.00 0.00 55.97 54.97 2kk1 s LYS 26 Cb -0.12 -2.46 -0.09 0.00 -0.52 0.00 0.00 37.83 34.63 2kk1 s LYS 26 CO 0.02 0.52 -0.31 0.00 -0.92 0.00 0.00 175.35 174.66 2kk1 n GLN 27 N 0.51 0.55 -3.66 1.68 10.64 -1.26 -5.06 117.38 120.79 2kk1 n GLN 27 Ca -0.11 0.27 -0.10 0.00 -1.83 0.00 0.00 57.00 55.23 2kk1 n GLN 27 Cb 0.52 -1.49 -0.08 0.00 -0.86 0.00 0.00 30.24 28.33 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 -2.70 -1.61 0.51 2.61 0.00 -1.26 -5.04 121.76 114.26 2kk1 s ALA 28 Ca -0.32 2.01 0.25 0.00 0.00 0.00 0.00 51.96 53.89 2kk1 s ALA 28 Cb 0.09 -1.18 1.34 0.00 0.00 0.00 0.00 23.12 23.36 2kk1 s ALA 28 CO 0.45 -0.33 1.94 0.00 0.00 0.00 0.00 175.76 177.83 2kk1 h ALA 29 N 6.22 2.51 -0.48 0.00 0.00 -1.97 0.89 119.26 126.43 2kk1 h ALA 29 Ca -0.30 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.67 2kk1 h ALA 29 Cb 1.20 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2kk1 h ALA 29 CO 0.16 -0.71 0.33 0.93 0.00 0.00 0.00 179.25 179.95 2kk1 h GLU 30 N 0.10 0.31 -0.00 0.00 5.08 -2.06 -3.13 114.58 114.88 2kk1 h GLU 30 Ca 0.34 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2kk1 h GLU 30 Cb 1.19 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2kk1 h GLU 30 CO -0.04 0.21 -0.16 1.17 -1.00 0.00 0.00 179.01 179.19 2kk1 n LYS 31 N -4.47 4.50 -2.09 2.33 4.81 0.16 -5.01 118.16 118.38 2kk1 n LYS 31 Ca 0.07 -0.15 -0.42 0.00 -0.87 0.00 0.00 58.31 56.94 2kk1 n LYS 31 Cb 0.32 -0.77 -0.03 0.00 0.02 0.00 0.00 35.03 34.57 2kk1 n LYS 31 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2kk1 s ILE 32 N -1.20 3.40 -0.02 3.15 1.01 -0.33 -4.91 121.20 122.29 2kk1 s ILE 32 Ca 0.02 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.50 2kk1 s ILE 32 Cb 0.03 -3.53 -0.26 0.00 0.01 0.00 0.00 42.46 38.71 2kk1 s ILE 32 CO 0.15 -0.00 0.76 -1.28 0.00 0.00 0.00 174.94 174.57 2kk1 h SER 33 N 8.03 0.29 0.12 3.58 0.87 -1.92 -3.39 113.55 121.13 2kk1 h SER 33 Ca -0.40 -0.46 0.01 0.00 -1.23 0.00 0.00 61.79 59.71 2kk1 h SER 33 Cb 1.19 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 63.01 2kk1 h SER 33 CO 0.91 1.40 -0.53 0.00 -0.53 0.00 0.00 176.83 178.08 2kk1 h ALA 34 N 0.56 -1.00 -0.09 6.23 0.00 -1.90 -0.84 119.26 122.22 2kk1 h ALA 34 Ca -0.27 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.56 2kk1 h ALA 34 Cb 2.00 0.91 -0.00 0.00 0.00 0.00 0.00 17.79 20.70 2kk1 h ALA 34 CO 0.13 -1.14 0.10 -0.44 0.00 0.00 0.00 179.25 177.90 2kk1 h ASP 35 N -0.76 0.00 0.43 0.00 5.19 -1.84 -1.77 116.42 117.67 2kk1 h ASP 35 Ca -0.01 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.18 2kk1 h ASP 35 Cb 0.76 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.27 2kk1 h ASP 35 CO -0.29 0.00 -0.96 0.50 -3.12 0.00 0.00 179.24 175.36 2kk1 h LYS 36 N 0.00 0.34 -6.00 3.56 3.11 -1.39 -3.44 116.57 112.75 2kk1 h LYS 36 Ca 0.04 -0.39 -0.59 0.00 -2.81 0.00 0.00 60.65 56.90 2kk1 h LYS 36 Cb 0.23 0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2kk1 h LYS 36 CO -0.00 1.08 1.48 0.42 -2.81 0.00 0.00 179.45 179.63 2kk1 s ILE 37 N -3.17 3.03 0.23 2.00 -1.09 -0.55 -4.97 121.20 116.68 2kk1 s ILE 37 Ca -0.05 0.03 0.05 0.00 -2.23 0.00 0.00 60.65 58.46 2kk1 s ILE 37 Cb 0.09 -3.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 2kk1 s ILE 37 CO 0.86 -0.03 0.31 -0.44 -1.23 0.00 0.00 174.94 174.41 2kk1 s SER 38 N 8.24 6.15 0.12 3.58 0.01 -1.26 -4.80 113.70 125.75 2kk1 s SER 38 Ca 0.99 0.02 -0.32 0.00 1.31 0.00 0.00 55.95 57.95 2kk1 s SER 38 Cb -0.32 -1.77 -0.11 0.00 0.21 0.00 0.00 66.02 64.02 2kk1 s SER 38 CO 0.35 -0.04 1.53 0.50 0.41 0.00 0.00 173.24 175.99 2kk1 h LYS 39 N 1.39 -0.44 -0.94 12.44 3.64 -1.99 -1.07 116.57 129.60 2kk1 h LYS 39 Ca -0.51 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.04 2kk1 h LYS 39 Cb 1.23 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 33.07 2kk1 h LYS 39 CO 0.62 -0.29 0.60 1.05 -2.27 0.00 0.00 179.45 179.15 2kk1 h GLU 40 N -0.46 0.79 -0.07 1.90 4.11 -1.99 -0.26 114.58 118.59 2kk1 h GLU 40 Ca 0.06 -0.05 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 2kk1 h GLU 40 Cb 0.61 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2kk1 h GLU 40 CO -0.52 0.52 -0.51 0.00 0.07 0.00 0.00 179.01 178.57 2kk1 h ALA 41 N 1.58 1.00 0.01 1.06 0.00 -1.75 -2.50 119.26 118.66 2kk1 h ALA 41 Ca 0.47 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2kk1 h ALA 41 Cb 0.64 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2kk1 h ALA 41 CO -0.24 0.66 -0.25 1.25 0.00 0.00 0.00 179.25 180.67 2kk1 h LEU 42 N 0.16 0.20 -0.40 0.00 6.46 -0.19 -3.27 115.31 118.28 2kk1 h LEU 42 Ca 0.00 -0.82 0.04 0.00 -0.12 0.00 0.00 57.88 56.99 2kk1 h LEU 42 Cb 0.96 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.78 2kk1 h LEU 42 CO 0.08 1.00 0.16 -0.07 -0.62 0.00 0.00 178.44 178.99 2kk1 h LEU 43 N -0.57 0.21 -0.87 2.25 3.38 -1.08 -1.08 115.31 117.54 2kk1 h LEU 43 Ca -0.03 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2kk1 h LEU 43 Cb 1.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 2kk1 h LEU 43 CO 0.05 0.16 0.57 1.05 0.09 0.00 0.00 178.44 180.35 2kk1 h GLU 44 N 0.34 1.09 -0.30 1.13 4.11 -1.59 -0.65 114.58 118.71 2kk1 h GLU 44 Ca 0.18 -0.07 -0.17 0.00 0.07 0.00 0.00 59.36 59.37 2kk1 h GLU 44 Cb 0.13 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 2kk1 h GLU 44 CO -0.16 0.72 -0.49 0.00 0.07 0.00 0.00 179.01 179.14 2kk1 h ALA 46 N 0.77 1.12 -0.23 0.00 0.00 -0.89 -2.36 119.26 117.67 2kk1 h ALA 46 Ca 0.03 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2kk1 h ALA 46 Cb 1.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2kk1 h ALA 46 CO 0.11 0.56 0.21 0.22 0.00 0.00 0.00 179.25 180.34 2kk1 h ASP 47 N 0.69 0.00 -0.54 0.00 3.58 -1.01 -0.58 116.42 118.55 2kk1 h ASP 47 Ca 0.13 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 2kk1 h ASP 47 Cb 0.47 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 2kk1 h ASP 47 CO 0.02 0.00 0.12 -0.07 -2.88 0.00 0.00 179.24 176.43 2kk1 h LEU 48 N 0.00 0.84 -0.26 2.28 3.38 -1.39 -2.82 115.31 117.33 2kk1 h LEU 48 Ca 0.11 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2kk1 h LEU 48 Cb 0.52 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2kk1 h LEU 48 CO -0.00 0.86 -0.06 -0.07 0.09 0.00 0.00 178.44 179.26 2kk1 h LEU 49 N 0.78 0.50 -0.19 1.67 4.07 -1.19 -0.00 115.31 120.95 2kk1 h LEU 49 Ca 0.17 -0.36 0.05 0.00 0.08 0.00 0.00 57.88 57.81 2kk1 h LEU 49 Cb 0.36 -0.14 -0.05 0.00 1.08 0.00 0.00 40.66 41.91 2kk1 h LEU 49 CO 0.00 0.75 -0.13 0.77 -1.08 0.00 0.00 178.44 178.75 2kk1 h SER 50 N 0.25 -0.43 -0.12 -0.43 4.64 -1.44 0.69 113.55 116.71 2kk1 h SER 50 Ca 0.07 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 2kk1 h SER 50 Cb 0.53 0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2kk1 h SER 50 CO 0.03 -0.17 0.02 -1.28 -0.87 0.00 0.00 176.83 174.55 2kk1 h SER 51 N -0.13 0.19 -0.80 4.97 0.87 -1.52 -3.18 113.55 113.96 2kk1 h SER 51 Ca 0.11 -0.26 0.11 0.00 -1.23 0.00 0.00 61.79 60.52 2kk1 h SER 51 Cb 0.30 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.15 2kk1 h SER 51 CO -0.27 0.40 0.52 0.00 -0.53 0.00 0.00 176.83 176.95 2kk1 h ALA 52 N 0.80 1.82 0.00 6.23 0.00 -0.57 -0.20 119.26 127.35 2kk1 h ALA 52 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kk1 h ALA 52 Cb 0.29 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kk1 h ALA 52 CO 0.00 -0.00 -0.07 -0.07 0.00 0.00 0.00 179.25 179.11 2kk1 h LEU 53 N 0.68 0.00 0.04 0.00 3.38 -0.87 -3.22 115.31 115.32 2kk1 h LEU 53 Ca 0.38 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 58.03 2kk1 h LEU 53 Cb 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2kk1 h LEU 53 CO -0.15 0.07 -1.84 0.35 0.09 0.00 0.00 178.44 176.96 2kk1 n THR 54 N -3.16 1.65 -2.97 0.22 -2.24 -0.20 -4.55 114.28 103.03 2kk1 n THR 54 Ca 0.01 -0.76 -0.22 0.00 -2.27 0.00 0.00 64.05 60.82 2kk1 n THR 54 Cb 0.41 -1.21 0.02 0.00 -2.10 0.00 0.00 70.33 67.44 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 -2.58 2.93 -0.10 -0.78 -1.05 -0.54 -4.91 118.70 111.68 2kk1 s GLU 55 Ca -0.10 -0.68 -0.30 0.00 -0.15 0.00 0.00 54.97 53.75 2kk1 s GLU 55 Cb 0.07 -2.59 -0.03 0.00 -0.44 0.00 0.00 34.13 31.15 2kk1 s GLU 55 CO 0.81 -0.33 1.32 -1.25 0.95 0.00 0.00 175.26 176.75 2kk1 s PRO 56 N -4.54 4.26 0.03 -4.83 0.04 -1.26 -4.66 135.00 124.04 2kk1 s PRO 56 Ca 0.50 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 63.28 2kk1 s PRO 56 Cb -0.10 -3.72 -0.02 0.00 0.04 0.00 0.00 34.50 30.70 2kk1 s PRO 56 CO 0.37 -0.65 0.04 0.14 0.04 0.00 0.00 177.00 176.94 2kk1 s VAL 57 N 3.12 0.13 0.32 -0.36 -7.23 -1.25 -5.01 120.40 110.12 2kk1 s VAL 57 Ca 0.59 -1.08 -0.29 0.00 -1.81 0.00 0.00 61.98 59.39 2kk1 s VAL 57 Cb -0.25 -0.70 -0.10 0.00 0.56 0.00 0.00 36.38 35.88 2kk1 s VAL 57 CO 0.20 -0.59 1.22 -2.16 -0.31 0.00 0.00 175.10 173.45 2kk1 s PRO 58 N -2.24 4.44 0.33 4.82 0.04 -1.26 -4.07 135.00 137.07 2kk1 s PRO 58 Ca -0.08 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.08 2kk1 s PRO 58 Cb -0.04 -3.09 0.83 0.00 0.04 0.00 0.00 34.50 32.24 2kk1 s PRO 58 CO -0.03 -0.04 1.80 -0.97 0.04 0.00 0.00 177.00 177.80 2kk1 h ASN 59 N 3.49 0.69 -0.56 6.66 -0.73 -1.54 -0.32 115.58 123.28 2kk1 h ASN 59 Ca -0.48 0.08 0.06 0.00 1.87 0.00 0.00 56.30 57.83 2kk1 h ASN 59 Cb 1.22 -0.05 -0.05 0.00 0.27 0.00 0.00 38.32 39.71 2kk1 h ASN 59 CO 0.66 0.26 0.26 0.77 -0.37 0.00 0.00 177.43 179.01 2kk1 h SER 60 N 0.68 0.35 -0.15 1.15 4.64 -1.92 -1.21 113.55 117.09 2kk1 h SER 60 Ca 0.55 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.93 2kk1 h SER 60 Cb 0.97 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 2kk1 h SER 60 CO -0.32 0.24 0.03 -0.61 -0.87 0.00 0.00 176.83 175.30 2kk1 h GLN 61 N 0.50 0.09 0.35 4.77 -0.00 -1.44 0.36 115.11 119.74 2kk1 h GLN 61 Ca 0.26 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.90 2kk1 h GLN 61 Cb 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.65 2kk1 h GLN 61 CO -0.20 0.06 -0.30 -0.07 0.00 0.00 0.00 178.83 178.32 2kk1 h LEU 62 N 0.09 -0.79 -0.41 -2.39 3.38 -1.18 0.12 115.31 114.13 2kk1 h LEU 62 Ca 0.07 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2kk1 h LEU 62 Cb 0.06 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2kk1 h LEU 62 CO -0.09 -0.44 0.19 0.58 0.09 0.00 0.00 178.44 178.77 2kk1 h VAL 63 N -0.66 1.18 -0.15 1.22 2.07 -1.16 0.52 116.25 119.28 2kk1 h VAL 63 Ca -0.03 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2kk1 h VAL 63 Cb 0.58 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2kk1 h VAL 63 CO -0.03 0.20 0.02 -0.78 0.02 0.00 0.00 177.57 177.00 2kk1 h ASP 64 N 0.52 0.24 -0.31 0.57 3.58 -0.89 -1.63 116.42 118.50 2kk1 h ASP 64 Ca 0.14 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 2kk1 h ASP 64 Cb 0.15 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2kk1 h ASP 64 CO -0.02 0.45 0.15 0.74 -2.88 0.00 0.00 179.24 177.68 2kk1 h THR 65 N 0.01 1.14 -0.04 2.25 2.02 -0.92 -1.59 112.91 115.78 2kk1 h THR 65 Ca 0.04 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 2kk1 h THR 65 Cb 0.32 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2kk1 h THR 65 CO 0.00 0.16 -0.24 1.23 0.37 0.00 0.00 175.52 177.05 2kk1 h GLY 66 N 0.65 0.06 0.58 2.16 0.00 -0.52 -3.13 103.07 102.87 2kk1 h GLY 66 Ca 0.13 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.44 2kk1 h GLY 66 CO -0.01 0.04 -0.19 0.45 0.00 0.00 0.00 176.54 176.82 2kk1 h HIS 67 N 0.06 -0.50 -0.55 5.60 -0.00 -0.31 -2.00 115.15 117.44 2kk1 h HIS 67 Ca 0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 2kk1 h HIS 67 Cb 0.45 0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 28.06 2kk1 h HIS 67 CO 0.00 -0.28 0.26 -0.56 -0.00 0.00 0.00 177.93 177.35 2kk1 h GLN 68 N -0.33 0.77 -0.90 2.45 3.07 -1.60 -1.23 115.11 117.34 2kk1 h GLN 68 Ca 0.05 -0.09 0.08 0.00 0.09 0.00 0.00 58.65 58.77 2kk1 h GLN 68 Cb 0.39 -0.15 -0.06 0.00 0.08 0.00 0.00 27.48 27.74 2kk1 h GLN 68 CO -0.16 0.60 0.58 -0.07 0.09 0.00 0.00 178.83 179.87 2kk1 h LEU 69 N 0.77 0.86 -0.51 0.06 -0.00 -1.39 0.30 115.31 115.40 2kk1 h LEU 69 Ca 0.19 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.07 2kk1 h LEU 69 Cb 0.09 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.56 2kk1 h LEU 69 CO -0.03 0.53 0.25 -0.07 -0.00 0.00 0.00 178.44 179.12 2kk1 h LEU 70 N 0.96 0.67 0.18 1.67 -0.00 -0.51 0.21 115.31 118.48 2kk1 h LEU 70 Ca 0.40 -0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 58.15 2kk1 h LEU 70 Cb 0.30 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2kk1 h LEU 70 CO -0.16 0.60 -0.09 -0.78 -0.00 0.00 0.00 178.44 178.02 2kk1 h ASP 71 N 0.68 -0.20 -0.31 -0.43 1.82 -0.99 -0.21 116.42 116.77 2kk1 h ASP 71 Ca 0.18 -0.14 0.03 0.00 -0.39 0.00 0.00 57.03 56.71 2kk1 h ASP 71 Cb 0.11 0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.14 2kk1 h ASP 71 CO -0.02 0.02 0.11 1.88 -1.61 0.00 0.00 179.24 179.62 2kk1 h TYR 72 N -0.43 0.20 -0.00 0.28 -1.99 -0.95 -1.59 116.97 112.49 2kk1 h TYR 72 Ca -0.02 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 2kk1 h TYR 72 Cb 0.33 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 39.02 2kk1 h TYR 72 CO -0.01 0.09 0.00 0.00 -0.00 0.00 0.00 178.16 178.24 2kk1 h SER 74 N -0.27 0.48 0.08 0.00 4.64 -0.96 -0.33 113.55 117.19 2kk1 h SER 74 Ca 0.00 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.16 2kk1 h SER 74 Cb 0.28 -0.12 0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2kk1 h SER 74 CO 0.00 0.35 -0.62 1.23 -0.87 0.00 0.00 176.83 176.93 2kk1 h GLY 75 N 0.58 0.32 1.20 -0.77 0.00 -1.22 -3.37 103.07 99.81 2kk1 h GLY 75 Ca 0.15 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 2kk1 h GLY 75 CO -0.03 0.62 0.08 -1.82 0.00 0.00 0.00 176.54 175.39 2kk1 h TYR 76 N -0.38 1.04 -0.25 5.60 3.20 -0.61 -3.00 116.97 122.57 2kk1 h TYR 76 Ca -0.10 -0.14 0.05 0.00 3.14 0.00 0.00 58.73 61.69 2kk1 h TYR 76 Cb 1.43 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 2kk1 h TYR 76 CO 0.19 0.89 0.17 -0.24 -1.64 0.00 0.00 178.16 177.54 2kk1 h VAL 77 N 0.92 0.93 -0.54 1.81 3.04 -1.21 -0.88 116.25 120.31 2kk1 h VAL 77 Ca 0.18 -0.03 -0.12 0.00 -1.01 0.00 0.00 66.70 65.72 2kk1 h VAL 77 Cb 0.43 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 30.51 2kk1 h VAL 77 CO 0.01 0.02 -0.11 -0.78 -1.01 0.00 0.00 177.57 175.70 2kk1 h ASP 78 N 0.10 1.04 0.00 3.17 3.58 -1.68 -2.99 116.42 119.64 2kk1 h ASP 78 Ca 0.11 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.21 2kk1 h ASP 78 Cb 0.33 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2kk1 h ASP 78 CO -0.01 1.15 0.00 0.00 -2.88 0.00 0.00 179.24 177.50 2kk1 s ILE 80 N -2.00 4.29 0.25 0.00 1.01 -1.13 -4.94 121.20 118.68 2kk1 s ILE 80 Ca 0.30 1.51 0.01 0.00 0.00 0.00 0.00 60.65 62.48 2kk1 s ILE 80 Cb 0.14 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.49 2kk1 s ILE 80 CO 0.23 -0.32 1.64 -0.65 0.00 0.00 0.00 174.94 175.85 2kk1 h PRO 81 N 8.55 0.45 -5.68 2.79 0.11 -1.90 -3.43 132.00 132.90 2kk1 h PRO 81 Ca -0.25 -0.22 -0.61 0.00 0.11 0.00 0.00 66.00 65.03 2kk1 h PRO 81 Cb 1.09 -0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.08 2kk1 h PRO 81 CO 1.00 0.77 0.30 -0.65 -0.21 0.00 0.00 178.00 179.22 2kk1 s GLN 82 N -4.24 3.81 0.44 1.05 1.11 -1.26 -4.94 119.66 115.64 2kk1 s GLN 82 Ca -0.06 0.33 0.11 0.00 0.01 0.00 0.00 55.36 55.74 2kk1 s GLN 82 Cb 0.13 -3.78 1.01 0.00 -1.01 0.00 0.00 33.01 29.36 2kk1 s GLN 82 CO 0.80 -0.74 2.06 1.15 0.01 0.00 0.00 175.29 178.57 2kk1 h THR 83 N 5.67 1.02 0.39 -0.19 2.02 -1.99 -0.02 112.91 119.81 2kk1 h THR 83 Ca -0.25 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 2kk1 h THR 83 Cb 1.10 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2kk1 h THR 83 CO 0.87 0.07 -0.40 0.03 0.37 0.00 0.00 175.52 176.46 2kk1 h ARG 84 N 0.39 -0.79 -0.85 6.66 2.47 -1.97 0.21 114.38 120.49 2kk1 h ARG 84 Ca 0.15 0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.90 2kk1 h ARG 84 Cb 0.14 0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.60 2kk1 h ARG 84 CO -0.04 -0.53 0.44 -0.91 0.56 0.00 0.00 179.97 179.49 2kk1 h ASN 85 N -0.82 1.09 0.11 7.04 4.21 -1.84 -2.03 115.58 123.35 2kk1 h ASN 85 Ca -0.03 -0.12 0.01 0.00 1.21 0.00 0.00 56.30 57.37 2kk1 h ASN 85 Cb 0.73 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.63 2kk1 h ASN 85 CO -0.07 0.90 -0.17 0.50 -1.29 0.00 0.00 177.43 177.30 2kk1 h LYS 86 N 1.20 -0.33 -0.15 0.81 3.64 -0.69 0.33 116.57 121.39 2kk1 h LYS 86 Ca 0.30 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 2kk1 h LYS 86 Cb 0.08 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2kk1 h LYS 86 CO -0.04 -0.22 0.01 0.35 -2.27 0.00 0.00 179.45 177.28 2kk1 h PHE 87 N -0.35 0.27 -0.38 1.91 3.57 -0.93 -1.90 116.94 119.14 2kk1 h PHE 87 Ca 0.02 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2kk1 h PHE 87 Cb 0.36 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 2kk1 h PHE 87 CO -0.17 0.45 0.17 0.00 -2.23 0.00 0.00 178.31 176.53 2kk1 h ALA 88 N 0.79 1.59 0.24 2.41 0.00 -1.24 -1.34 119.26 121.71 2kk1 h ALA 88 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2kk1 h ALA 88 Cb 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kk1 h ALA 88 CO 0.00 0.33 -0.11 0.35 0.00 0.00 0.00 179.25 179.82 2kk1 h PHE 89 N 0.53 -0.29 -0.75 0.00 3.04 -0.20 -2.49 116.94 116.77 2kk1 h PHE 89 Ca 0.13 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 2kk1 h PHE 89 Cb 0.08 0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.65 2kk1 h PHE 89 CO 0.00 0.08 0.41 0.00 -2.02 0.00 0.00 178.31 176.78 2kk1 h ARG 90 N -0.76 1.04 -0.35 1.11 2.47 -1.20 -1.26 114.38 115.43 2kk1 h ARG 90 Ca -0.03 -0.11 -0.09 0.00 -1.26 0.00 0.00 59.98 58.49 2kk1 h ARG 90 Cb 0.50 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 2kk1 h ARG 90 CO 0.05 0.76 -0.13 1.05 0.56 0.00 0.00 179.97 182.26 2kk1 h GLU 91 N 1.04 0.63 -0.64 0.04 4.11 -1.30 -0.10 114.58 118.36 2kk1 h GLU 91 Ca 0.26 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.48 2kk1 h GLU 91 Cb 0.02 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2kk1 h GLU 91 CO -0.04 0.74 0.34 0.00 0.07 0.00 0.00 179.01 180.12 2kk1 h ALA 92 N 1.28 0.83 -0.47 1.06 0.00 -0.90 -2.19 119.26 118.87 2kk1 h ALA 92 Ca 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2kk1 h ALA 92 Cb 0.56 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2kk1 h ALA 92 CO 0.04 0.35 0.22 0.28 0.00 0.00 0.00 179.25 180.13 2kk1 h VAL 93 N 0.88 1.16 -0.92 0.00 2.07 -0.71 -2.27 116.25 116.47 2kk1 h VAL 93 Ca 0.23 -0.47 0.11 0.00 0.82 0.00 0.00 66.70 67.39 2kk1 h VAL 93 Cb 0.06 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 2kk1 h VAL 93 CO -0.03 0.19 0.59 0.28 0.02 0.00 0.00 177.57 178.62 2kk1 h SER 94 N 0.66 0.79 -0.19 0.57 0.02 -0.38 0.33 113.55 115.36 2kk1 h SER 94 Ca 0.17 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2kk1 h SER 94 Cb 0.09 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2kk1 h SER 94 CO -0.02 0.44 0.06 0.11 -1.14 0.00 0.00 176.83 176.28 2kk1 h LYS 95 N 0.86 0.29 -0.06 3.45 6.56 -1.26 -2.55 116.57 123.86 2kk1 h LYS 95 Ca 0.44 -0.06 0.03 0.00 -1.06 0.00 0.00 60.65 60.00 2kk1 h LYS 95 Cb 0.51 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.09 2kk1 h LYS 95 CO -0.20 0.39 -0.13 1.25 -2.06 0.00 0.00 179.45 178.69 2kk1 h LEU 96 N 0.13 -0.40 -0.24 2.94 5.85 -0.80 0.24 115.31 123.02 2kk1 h LEU 96 Ca 0.06 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2kk1 h LEU 96 Cb 0.22 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2kk1 h LEU 96 CO -0.00 -0.18 0.04 1.05 -0.34 0.00 0.00 178.44 179.01 2kk1 h GLU 97 N -0.20 0.40 -0.19 1.25 4.11 -1.09 -0.50 114.58 118.36 2kk1 h GLU 97 Ca 0.07 -0.11 -0.04 0.00 0.07 0.00 0.00 59.36 59.35 2kk1 h GLU 97 Cb 0.29 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2kk1 h GLU 97 CO -0.17 0.53 -0.08 -0.07 0.07 0.00 0.00 179.01 179.28 2kk1 h LEU 98 N 0.21 0.28 -0.37 3.06 3.38 -1.33 -2.05 115.31 118.50 2kk1 h LEU 98 Ca 0.07 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 2kk1 h LEU 98 Cb 0.32 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2kk1 h LEU 98 CO 0.00 0.40 -0.73 -1.28 0.09 0.00 0.00 178.44 176.92 2kk1 h SER 99 N 0.28 0.57 -0.29 -0.43 0.87 -0.23 -2.82 113.55 111.51 2kk1 h SER 99 Ca 0.06 -0.37 -0.14 0.00 -1.23 0.00 0.00 61.79 60.11 2kk1 h SER 99 Cb 0.33 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2kk1 h SER 99 CO 0.02 1.12 -0.35 -0.07 -0.53 0.00 0.00 176.83 177.02 2kk1 h LEU 100 N 0.33 0.86 -0.71 2.23 3.38 -0.77 -0.18 115.31 120.46 2kk1 h LEU 100 Ca -0.03 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.46 2kk1 h LEU 100 Cb 1.31 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2kk1 h LEU 100 CO 0.13 1.12 -0.15 0.06 0.09 0.00 0.00 178.44 179.69 2kk1 h GLN 101 N 0.68 0.83 0.05 1.13 3.07 -1.39 -2.67 115.11 116.82 2kk1 h GLN 101 Ca 0.07 -0.30 -0.25 0.00 0.09 0.00 0.00 58.65 58.25 2kk1 h GLN 101 Cb 0.90 -0.05 0.01 0.00 0.08 0.00 0.00 27.48 28.42 2kk1 h GLN 101 CO 0.08 0.93 -1.07 1.05 0.09 0.00 0.00 178.83 179.91 2kk1 h GLU 102 N 0.74 0.45 -0.08 0.06 4.11 -1.47 -3.34 114.58 115.04 2kk1 h GLU 102 Ca 0.12 -0.55 0.02 0.00 0.07 0.00 0.00 59.36 59.01 2kk1 h GLU 102 Cb 0.66 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2kk1 h GLU 102 CO 0.05 1.20 -0.03 1.25 0.07 0.00 0.00 179.01 181.55 2kk1 h LEU 103 N 0.22 -0.09 -2.18 3.06 5.85 -0.94 0.29 115.31 121.51 2kk1 h LEU 103 Ca -0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2kk1 h LEU 103 Cb 1.73 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.82 2kk1 h LEU 103 CO 0.19 -0.04 0.00 0.06 -0.34 0.00 0.00 178.44 178.31 2kk1 h GLN 104 N -0.01 0.00 0.00 1.25 3.07 -1.60 0.25 115.11 118.07 2kk1 h GLN 104 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 2kk1 h GLN 104 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.63 2kk1 h GLN 104 CO -0.09 0.00 -0.99 1.33 0.09 0.00 0.00 178.83 179.17 2kk1 n VAL 105 N -2.81 0.00 0.26 1.86 0.24 -1.03 -4.64 118.33 112.21 2kk1 n VAL 105 Ca -0.02 -0.25 0.05 0.00 -2.04 0.00 0.00 64.34 62.09 2kk1 n VAL 105 Cb 0.11 0.66 -0.07 0.00 -1.47 0.00 0.00 33.84 33.07 2kk1 n VAL 105 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2kk1 n SER 106 N -1.56 1.45 0.13 -1.34 2.88 0.06 -4.77 113.62 110.47 2kk1 n SER 106 Ca 0.00 -0.39 -0.05 0.00 -1.33 0.00 0.00 58.87 57.10 2kk1 n SER 106 Cb 0.24 1.25 -0.02 0.00 -0.75 0.00 0.00 64.21 64.92 2kk1 n SER 106 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2kk1 h SER 107 N 0.00 -0.28 0.00 -3.46 4.64 -0.74 -3.46 113.55 110.25 2kk1 h SER 107 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2kk1 h SER 107 Cb 0.38 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2kk1 h SER 107 CO 0.00 -0.17 0.00 0.00 -0.87 0.00 0.00 176.83 175.79 2kk1 n ALA 108 N -2.20 0.00 -1.54 5.18 0.00 -1.26 -4.91 120.51 115.77 2kk1 n ALA 108 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.07 2kk1 n ALA 108 Cb 0.13 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.62 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 2.55 -0.05 0.00 0.00 -1.26 -5.02 121.76 117.98 2kk1 s ALA 109 Ca 0.00 0.45 -0.05 0.00 0.00 0.00 0.00 51.96 52.36 2kk1 s ALA 109 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2kk1 s ALA 109 CO 0.00 -1.17 0.26 0.00 0.00 0.00 0.00 175.76 174.85 2kk1 h ALA 110 N 0.01 -0.23 -0.04 0.00 0.00 -1.93 -3.42 119.26 113.65 2kk1 h ALA 110 Ca -0.46 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.17 2kk1 h ALA 110 Cb 1.24 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.94 2kk1 h ALA 110 CO 0.55 -0.22 -0.43 0.41 0.00 0.00 0.00 179.25 179.56 2kk1 n GLY 111 N 1.23 0.86 3.60 0.00 0.00 -1.26 -1.57 105.19 108.05 2kk1 n GLY 111 Ca -0.02 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 0.18 5.09 0.05 1.61 1.01 -1.26 -3.96 120.40 123.12 2kk1 s VAL 112 Ca 0.22 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 2kk1 s VAL 112 Cb 0.32 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 33.24 2kk1 s VAL 112 CO -0.06 0.33 1.80 -2.16 0.00 0.00 0.00 175.10 175.01 2kk1 s PRO 113 N 1.29 4.16 -0.64 2.72 0.04 -1.26 -1.97 135.00 139.34 2kk1 s PRO 113 Ca 0.07 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2kk1 s PRO 113 Cb -0.14 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.53 2kk1 s PRO 113 CO 0.06 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.65 2kk1 n GLY 114 N 4.26 0.85 0.35 0.56 0.00 -1.26 -4.93 105.19 105.01 2kk1 n GLY 114 Ca 0.18 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.47 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 1.12 -3.96 2.61 1.03 -1.81 -3.43 112.91 108.46 2kk1 h THR 115 Ca -0.12 -0.30 -0.33 0.00 -0.01 0.00 0.00 66.41 65.64 2kk1 h THR 115 Cb 0.40 0.16 -0.25 0.00 -1.07 0.00 0.00 68.15 67.39 2kk1 h THR 115 CO 0.18 0.16 -0.76 0.20 -0.01 0.00 0.00 175.52 175.30 2kk1 s ASN 116 N -6.33 0.93 0.49 0.00 0.01 -1.26 -5.04 114.94 103.73 2kk1 s ASN 116 Ca -0.10 -0.32 0.15 0.00 -0.71 0.00 0.00 52.86 51.87 2kk1 s ASN 116 Cb 0.18 -0.04 1.19 0.00 0.41 0.00 0.00 41.25 42.99 2kk1 s ASN 116 CO 0.77 -0.03 2.11 1.55 -1.51 0.00 0.00 177.10 179.99 2kk1 h PRO 117 N 5.29 0.13 -0.62 -0.60 0.13 -1.99 -2.24 132.00 132.10 2kk1 h PRO 117 Ca -0.33 -0.01 0.18 0.00 -0.87 0.00 0.00 66.00 64.97 2kk1 h PRO 117 Cb 1.19 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2kk1 h PRO 117 CO 0.46 0.08 0.46 0.28 -0.23 0.00 0.00 178.00 179.05 2kk1 h VAL 118 N 0.13 0.66 -0.63 1.56 2.07 -1.96 0.20 116.25 118.28 2kk1 h VAL 118 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 2kk1 h VAL 118 Cb 0.12 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2kk1 h VAL 118 CO -0.01 0.00 0.29 -0.07 0.02 0.00 0.00 177.57 177.80 2kk1 h LEU 119 N 0.00 0.81 -0.80 2.57 3.38 -1.80 -0.81 115.31 118.66 2kk1 h LEU 119 Ca 0.29 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 2kk1 h LEU 119 Cb 1.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2kk1 h LEU 119 CO -0.00 0.69 -0.44 0.78 0.09 0.00 0.00 178.44 179.56 2kk1 h ASN 120 N 0.89 0.38 0.06 -0.43 2.35 -0.78 -1.14 115.58 116.91 2kk1 h ASN 120 Ca 0.22 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2kk1 h ASN 120 Cb 0.11 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2kk1 h ASN 120 CO -0.03 0.78 -0.04 0.78 -1.65 0.00 0.00 177.43 177.27 2kk1 h ASN 121 N 0.29 -0.10 -0.66 5.81 4.21 -0.97 -0.27 115.58 123.89 2kk1 h ASN 121 Ca 0.02 0.01 0.07 0.00 1.21 0.00 0.00 56.30 57.61 2kk1 h ASN 121 Cb 0.90 0.03 -0.06 0.00 -1.12 0.00 0.00 38.32 38.07 2kk1 h ASN 121 CO 0.07 -0.07 0.34 -0.07 -1.29 0.00 0.00 177.43 176.42 2kk1 h LEU 122 N -0.10 0.48 -0.13 1.61 3.38 -1.03 -0.12 115.31 119.40 2kk1 h LEU 122 Ca -0.00 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2kk1 h LEU 122 Cb 0.09 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2kk1 h LEU 122 CO -0.00 0.30 -0.10 0.25 0.09 0.00 0.00 178.44 178.98 2kk1 h LEU 123 N 0.62 -0.31 -0.90 1.67 5.85 -0.92 0.88 115.31 122.20 2kk1 h LEU 123 Ca 0.31 0.07 0.09 0.00 0.84 0.00 0.00 57.88 59.18 2kk1 h LEU 123 Cb 0.25 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 2kk1 h LEU 123 CO -0.21 -0.13 0.55 -1.28 -0.34 0.00 0.00 178.44 177.02 2kk1 h SER 124 N -0.11 0.82 0.04 1.25 0.87 -0.55 -0.11 113.55 115.76 2kk1 h SER 124 Ca 0.08 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2kk1 h SER 124 Cb 0.23 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2kk1 h SER 124 CO -0.19 0.49 -0.02 0.00 -0.53 0.00 0.00 176.83 176.57 2kk1 h VAL 126 N -0.17 1.16 -0.51 0.00 2.07 -0.48 0.10 116.25 118.42 2kk1 h VAL 126 Ca -0.01 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.09 2kk1 h VAL 126 Cb 0.15 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2kk1 h VAL 126 CO 0.01 0.17 0.30 1.56 0.02 0.00 0.00 177.57 179.63 2kk1 h GLN 127 N 0.48 0.57 0.33 1.57 4.20 -1.00 -1.27 115.11 119.99 2kk1 h GLN 127 Ca 0.13 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 2kk1 h GLN 127 Cb 0.10 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2kk1 h GLN 127 CO -0.02 0.38 -0.16 1.49 -0.67 0.00 0.00 178.83 179.85 2kk1 h GLU 128 N 0.59 -0.42 -0.03 1.46 4.57 -0.82 -2.13 114.58 117.80 2kk1 h GLU 128 Ca 0.21 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.45 2kk1 h GLU 128 Cb 0.03 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 2kk1 h GLU 128 CO -0.10 -0.13 -0.27 0.82 -1.18 0.00 0.00 179.01 178.16 2kk1 h ILE 129 N -0.73 0.39 -0.79 2.32 2.04 -0.77 -1.24 117.51 118.74 2kk1 h ILE 129 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2kk1 h ILE 129 Cb 0.50 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2kk1 h ILE 129 CO 0.07 0.00 0.45 0.77 0.00 0.00 0.00 178.15 179.44 2kk1 h SER 130 N -0.40 0.97 -0.44 1.72 4.64 -1.31 -2.74 113.55 115.99 2kk1 h SER 130 Ca 0.07 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2kk1 h SER 130 Cb 0.49 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2kk1 h SER 130 CO -0.25 0.76 -0.01 -0.78 -0.87 0.00 0.00 176.83 175.68 2kk1 h ASP 131 N 1.10 0.78 -0.99 4.97 3.58 -1.00 -2.97 116.42 121.88 2kk1 h ASP 131 Ca 0.28 -0.31 0.11 0.00 0.42 0.00 0.00 57.03 57.53 2kk1 h ASP 131 Cb -0.00 -0.21 -0.08 0.00 1.72 0.00 0.00 39.33 40.76 2kk1 h ASP 131 CO -0.05 0.90 0.62 0.58 -2.88 0.00 0.00 179.24 178.41 2kk1 h VAL 132 N 0.63 0.93 0.00 2.25 2.07 -0.94 0.34 116.25 121.54 2kk1 h VAL 132 Ca 0.13 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2kk1 h VAL 132 Cb 0.51 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2kk1 h VAL 132 CO 0.02 0.18 -0.06 0.58 0.02 0.00 0.00 177.57 178.32 2kk1 h VAL 133 N 1.00 0.25 -0.66 2.57 2.07 -1.36 -2.60 116.25 117.52 2kk1 h VAL 133 Ca 0.49 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2kk1 h VAL 133 Cb 0.45 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2kk1 h VAL 133 CO -0.26 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.39 2kk1 n GLN 134 N -3.31 2.88 0.00 1.57 6.02 0.09 -5.11 117.38 119.53 2kk1 n GLN 134 Ca -0.01 -2.52 0.12 0.00 -0.01 0.00 0.00 57.00 54.58 2kk1 n GLN 134 Cb 0.24 -1.63 0.16 0.00 1.02 0.00 0.00 30.24 30.02 2kk1 n GLN 134 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59