#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 2.76 3.73 -5.12 0.00 -1.26 -4.92 105.19 100.38 2kk1 n GLY 2 Ca 0.00 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 2kk1 n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kk1 s HIS 3 N 4.76 3.83 0.01 1.61 0.00 -1.26 -5.06 115.29 119.19 2kk1 s HIS 3 Ca 0.56 1.80 -0.10 0.00 -3.00 0.00 0.00 55.06 54.32 2kk1 s HIS 3 Cb 0.14 -3.03 0.01 0.00 -4.00 0.00 0.00 32.58 25.70 2kk1 s HIS 3 CO 0.09 0.25 0.20 -3.38 -1.00 0.00 0.00 174.74 170.89 2kk1 s HIS 4 N -0.17 -0.01 1.21 0.38 0.00 -1.26 -5.16 115.29 110.28 2kk1 s HIS 4 Ca 0.46 -0.08 -0.14 0.00 -3.00 0.00 0.00 55.06 52.29 2kk1 s HIS 4 Cb -0.24 -0.01 0.30 0.00 -4.00 0.00 0.00 32.58 28.64 2kk1 s HIS 4 CO 0.30 -0.36 1.01 -3.38 -1.00 0.00 0.00 174.74 171.31 2kk1 s HIS 5 N -1.74 1.15 0.22 0.38 0.00 -1.26 -4.93 115.29 109.10 2kk1 s HIS 5 Ca -0.12 1.08 -0.32 0.00 -3.00 0.00 0.00 55.06 52.71 2kk1 s HIS 5 Cb -0.05 -3.07 -0.13 0.00 -4.00 0.00 0.00 32.58 25.34 2kk1 s HIS 5 CO 0.01 -4.06 1.64 0.72 -1.00 0.00 0.00 174.74 172.04 2kk1 n HIS 6 N -5.04 2.61 -5.00 0.38 -0.00 -1.26 -5.00 115.22 101.90 2kk1 n HIS 6 Ca 0.03 0.17 -0.31 0.00 -0.00 0.00 0.00 57.72 57.62 2kk1 n HIS 6 Cb 0.55 -2.61 -0.15 0.00 -0.00 0.00 0.00 29.99 27.78 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 0.77 2.40 0.03 4.41 5.65 -1.26 -5.09 115.29 122.20 2kk1 s HIS 7 Ca 0.73 -0.37 -0.30 0.00 0.25 0.00 0.00 55.06 55.37 2kk1 s HIS 7 Cb -0.56 -1.46 -0.08 0.00 -1.18 0.00 0.00 32.58 29.30 2kk1 s HIS 7 CO 0.38 0.10 1.72 -1.01 -0.65 0.00 0.00 174.74 175.28 2kk1 s HIS 8 N -0.75 2.07 -1.15 3.88 4.02 -1.26 -4.88 115.29 117.21 2kk1 s HIS 8 Ca 0.12 0.12 -0.22 0.00 1.02 0.00 0.00 55.06 56.10 2kk1 s HIS 8 Cb -0.10 -4.02 -0.03 0.00 -1.02 0.00 0.00 32.58 27.41 2kk1 s HIS 8 CO 0.01 -4.24 1.84 -1.12 1.02 0.00 0.00 174.74 172.25 2kk1 s SER 9 N 3.07 5.64 0.07 1.40 0.01 -1.26 -4.95 113.70 117.68 2kk1 s SER 9 Ca 0.77 -1.68 -0.24 0.00 1.31 0.00 0.00 55.95 56.10 2kk1 s SER 9 Cb -0.39 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.20 2kk1 s SER 9 CO 0.33 -2.39 0.74 -2.28 0.41 0.00 0.00 173.24 170.05 2kk1 s HIS 10 N 8.58 3.78 0.34 2.43 2.46 -1.26 -5.08 115.29 126.54 2kk1 s HIS 10 Ca 0.63 1.48 0.06 0.00 0.47 0.00 0.00 55.06 57.70 2kk1 s HIS 10 Cb -0.00 -2.77 -0.01 0.00 -0.13 0.00 0.00 32.58 29.66 2kk1 s HIS 10 CO 0.07 0.36 0.48 -1.64 -2.47 0.00 0.00 174.74 171.55 2kk1 s MET 11 N -0.39 3.15 0.00 2.88 -1.94 -1.26 -5.13 119.30 116.60 2kk1 s MET 11 Ca 0.37 -0.92 0.00 0.00 -1.71 0.00 0.00 55.69 53.43 2kk1 s MET 11 Cb -0.21 -2.79 0.00 0.00 2.01 0.00 0.00 34.83 33.84 2kk1 s MET 11 CO 0.23 0.06 0.00 0.00 -0.01 0.00 0.00 175.02 175.30 2kk1 n ALA 12 N -1.67 0.00 -1.72 3.03 0.00 -1.26 -5.11 120.51 113.78 2kk1 n ALA 12 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2kk1 n ALA 12 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2kk1 n ALA 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kk1 n ASN 13 N 0.00 0.00 0.00 0.00 0.23 -1.26 -4.85 115.26 109.38 2kk1 n ASN 13 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2kk1 n ASN 13 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2kk1 n ASN 13 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kk1 n GLY 14 N 3.10 1.12 0.49 4.83 0.00 -1.26 -4.25 105.19 109.22 2kk1 n GLY 14 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.12 2kk1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk1 n ALA 15 N 0.00 2.54 -1.55 4.61 0.00 -1.26 -4.92 120.51 119.93 2kk1 n ALA 15 Ca 0.00 -0.47 -0.19 0.00 0.00 0.00 0.00 53.44 52.78 2kk1 n ALA 15 Cb 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 19.45 18.24 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 0.19 -0.29 -1.04 0.00 0.00 -1.26 -4.84 120.51 113.27 2kk1 n ALA 16 Ca 0.17 0.31 0.09 0.00 0.00 0.00 0.00 53.44 54.00 2kk1 n ALA 16 Cb 0.32 -1.99 0.23 0.00 0.00 0.00 0.00 19.45 18.01 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 -0.28 4.31 0.11 0.00 0.00 -1.26 -4.53 105.19 103.54 2kk1 n GLY 17 Ca -0.19 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 44.80 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 1.27 0.28 -0.70 2.61 2.02 -1.88 -3.35 112.91 113.17 2kk1 h THR 18 Ca 0.01 -1.56 -0.03 0.00 0.77 0.00 0.00 66.41 65.60 2kk1 h THR 18 Cb 1.33 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 69.52 2kk1 h THR 18 CO 0.17 0.16 0.30 0.07 0.37 0.00 0.00 175.52 176.59 2kk1 h LYS 19 N 0.00 1.02 -3.55 6.66 2.10 -1.98 -3.31 116.57 117.51 2kk1 h LYS 19 Ca -0.09 -0.17 -0.77 0.00 -2.00 0.00 0.00 60.65 57.62 2kk1 h LYS 19 Cb 1.32 -0.17 -0.30 0.00 -0.90 0.00 0.00 32.23 32.18 2kk1 h LYS 19 CO 0.03 0.83 0.26 0.08 -2.00 0.00 0.00 179.45 178.64 2kk1 s VAL 20 N -5.62 5.52 -0.02 0.07 1.01 -1.26 -4.76 120.40 115.34 2kk1 s VAL 20 Ca -0.13 -3.37 -0.07 0.00 0.00 0.00 0.00 61.98 58.41 2kk1 s VAL 20 Cb 0.14 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2kk1 s VAL 20 CO 0.81 -1.13 -0.14 0.00 0.00 0.00 0.00 175.10 174.63 2kk1 n ALA 21 N 2.83 2.14 1.16 5.51 0.00 -1.25 -4.68 120.51 126.21 2kk1 n ALA 21 Ca 0.21 -0.35 0.14 0.00 0.00 0.00 0.00 53.44 53.44 2kk1 n ALA 21 Cb 0.40 0.18 0.57 0.00 0.00 0.00 0.00 19.45 20.59 2kk1 n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kk1 n LEU 22 N -3.86 0.20 -3.28 0.00 4.77 -1.26 -4.98 117.00 108.58 2kk1 n LEU 22 Ca -0.07 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 56.09 2kk1 n LEU 22 Cb 0.25 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 2kk1 n LEU 22 CO 0.08 0.04 0.17 -1.14 -1.33 0.00 0.00 177.39 175.21 2kk1 n ARG 23 N -1.35 -1.42 0.06 3.23 0.63 -1.26 -4.94 116.66 111.62 2kk1 n ARG 23 Ca 0.09 1.23 -0.05 0.00 -0.92 0.00 0.00 57.85 58.21 2kk1 n ARG 23 Cb 0.31 -4.84 -0.09 0.00 0.45 0.00 0.00 32.46 28.29 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 0.07 0.00 -4.90 -0.14 1.57 -1.93 -3.48 116.57 107.75 2kk1 h LYS 24 Ca -0.22 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.09 2kk1 h LYS 24 Cb 1.13 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.31 2kk1 h LYS 24 CO 0.33 0.77 -0.51 -0.08 -0.57 0.00 0.00 179.45 179.40 2kk1 s THR 25 N -2.76 0.14 0.59 -0.16 -1.32 -1.26 -5.15 115.64 105.72 2kk1 s THR 25 Ca 0.01 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.31 2kk1 s THR 25 Cb 0.09 -2.47 -0.03 0.00 -1.51 0.00 0.00 72.50 68.58 2kk1 s THR 25 CO 0.80 0.00 1.12 -0.54 -2.21 0.00 0.00 174.62 173.80 2kk1 s LYS 26 N -3.59 3.11 0.03 7.08 1.02 -1.26 -5.01 119.74 121.12 2kk1 s LYS 26 Ca 0.37 1.53 -0.02 0.00 0.02 0.00 0.00 55.97 57.87 2kk1 s LYS 26 Cb 0.03 -1.98 -0.01 0.00 -0.52 0.00 0.00 37.83 35.35 2kk1 s LYS 26 CO 0.23 -1.03 -0.04 0.00 -0.92 0.00 0.00 175.35 173.59 2kk1 n GLN 27 N -1.78 0.06 -3.64 1.68 10.64 -1.26 -5.11 117.38 117.97 2kk1 n GLN 27 Ca 0.11 0.02 -0.10 0.00 -1.83 0.00 0.00 57.00 55.20 2kk1 n GLN 27 Cb 0.51 -0.60 -0.07 0.00 -0.86 0.00 0.00 30.24 29.22 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 -2.08 -1.90 -0.11 2.61 0.00 -1.26 -5.03 121.76 113.99 2kk1 s ALA 28 Ca -0.03 2.08 0.19 0.00 0.00 0.00 0.00 51.96 54.20 2kk1 s ALA 28 Cb 0.01 -1.35 1.04 0.00 0.00 0.00 0.00 23.12 22.82 2kk1 s ALA 28 CO 0.05 -0.32 1.55 0.00 0.00 0.00 0.00 175.76 177.04 2kk1 n ALA 29 N 2.97 0.90 0.04 0.00 0.00 -1.26 -0.32 120.51 122.85 2kk1 n ALA 29 Ca -0.15 0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 2kk1 n ALA 29 Cb 0.56 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.90 2kk1 n ALA 29 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2kk1 h GLU 30 N 0.00 0.46 0.00 0.00 4.11 -2.05 -3.29 114.58 113.80 2kk1 h GLU 30 Ca 0.00 -0.36 -0.12 0.00 0.07 0.00 0.00 59.36 58.96 2kk1 h GLU 30 Cb 0.21 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2kk1 h GLU 30 CO 0.00 0.99 -1.65 1.63 0.07 0.00 0.00 179.01 180.05 2kk1 n LYS 31 N -3.87 0.64 -2.70 1.06 4.76 0.57 -4.94 118.16 113.68 2kk1 n LYS 31 Ca -0.04 0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 55.04 2kk1 n LYS 31 Cb 0.69 -1.69 -0.05 0.00 -1.84 0.00 0.00 35.03 32.15 2kk1 n LYS 31 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2kk1 s ILE 32 N -3.12 4.23 -0.71 -0.18 1.01 0.08 -4.96 121.20 117.55 2kk1 s ILE 32 Ca -0.05 2.00 0.16 0.00 0.00 0.00 0.00 60.65 62.77 2kk1 s ILE 32 Cb 0.10 -4.28 -0.19 0.00 0.01 0.00 0.00 42.46 38.11 2kk1 s ILE 32 CO 0.84 0.38 0.67 -0.24 0.00 0.00 0.00 174.94 176.59 2kk1 n SER 33 N 2.19 0.80 -0.23 3.58 2.88 -1.26 -4.58 113.62 117.00 2kk1 n SER 33 Ca 0.01 -0.81 -0.02 0.00 -1.33 0.00 0.00 58.87 56.71 2kk1 n SER 33 Cb 0.48 1.06 0.09 0.00 -0.75 0.00 0.00 64.21 65.10 2kk1 n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kk1 h ALA 34 N 2.26 0.90 0.00 -1.46 0.00 -1.93 0.24 119.26 119.27 2kk1 h ALA 34 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kk1 h ALA 34 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kk1 h ALA 34 CO 0.00 0.08 0.00 0.38 0.00 0.00 0.00 179.25 179.71 2kk1 h ASP 35 N 0.72 0.00 0.84 0.00 2.03 -1.89 -2.99 116.42 115.13 2kk1 h ASP 35 Ca 0.30 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.44 2kk1 h ASP 35 Cb 0.15 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.63 2kk1 h ASP 35 CO -0.17 0.00 -0.76 0.50 -1.03 0.00 0.00 179.24 177.79 2kk1 h LYS 36 N 0.00 0.00 -5.85 4.15 3.11 -1.29 -3.41 116.57 113.28 2kk1 h LYS 36 Ca 0.00 0.00 -0.44 0.00 -2.81 0.00 0.00 60.65 57.40 2kk1 h LYS 36 Cb 0.80 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.00 2kk1 h LYS 36 CO 0.00 0.76 1.23 0.42 -2.81 0.00 0.00 179.45 179.05 2kk1 s ILE 37 N -3.19 3.30 0.40 2.00 -1.09 -0.13 -4.97 121.20 117.52 2kk1 s ILE 37 Ca 0.00 0.06 -0.08 0.00 -2.23 0.00 0.00 60.65 58.40 2kk1 s ILE 37 Cb 0.11 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 2kk1 s ILE 37 CO 0.78 -0.74 0.72 -0.44 -1.23 0.00 0.00 174.94 174.04 2kk1 s SER 38 N 8.86 6.44 0.23 3.58 0.01 -1.26 -4.85 113.70 126.70 2kk1 s SER 38 Ca 0.74 0.98 -0.07 0.00 1.31 0.00 0.00 55.95 58.90 2kk1 s SER 38 Cb -0.12 -2.26 0.39 0.00 0.21 0.00 0.00 66.02 64.24 2kk1 s SER 38 CO 0.17 -0.40 1.70 0.50 0.41 0.00 0.00 173.24 175.62 2kk1 h LYS 39 N 1.08 0.27 -0.59 12.44 3.64 -1.98 -0.33 116.57 131.10 2kk1 h LYS 39 Ca -0.47 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 58.95 2kk1 h LYS 39 Cb 1.19 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 2kk1 h LYS 39 CO 0.64 0.18 0.29 1.05 -2.27 0.00 0.00 179.45 179.33 2kk1 h GLU 40 N 0.28 0.52 -0.37 1.90 4.11 -2.00 -2.40 114.58 116.63 2kk1 h GLU 40 Ca 0.37 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.76 2kk1 h GLU 40 Cb 0.60 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2kk1 h GLU 40 CO -0.46 0.35 0.19 0.00 0.07 0.00 0.00 179.01 179.16 2kk1 h ALA 41 N 1.33 0.48 0.11 1.06 0.00 -1.46 -0.55 119.26 120.23 2kk1 h ALA 41 Ca 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2kk1 h ALA 41 Cb 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kk1 h ALA 41 CO -0.20 0.02 -0.05 1.25 0.00 0.00 0.00 179.25 180.27 2kk1 h LEU 42 N 0.47 -0.12 -0.56 0.00 6.46 -1.27 -1.04 115.31 119.24 2kk1 h LEU 42 Ca 0.13 -0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.88 2kk1 h LEU 42 Cb 0.09 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 2kk1 h LEU 42 CO -0.02 -0.04 0.33 -0.07 -0.62 0.00 0.00 178.44 178.03 2kk1 h LEU 43 N -0.20 0.53 -0.34 2.25 3.38 -1.29 -0.43 115.31 119.22 2kk1 h LEU 43 Ca -0.01 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2kk1 h LEU 43 Cb 0.16 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2kk1 h LEU 43 CO 0.02 0.37 0.20 -0.33 0.09 0.00 0.00 178.44 178.79 2kk1 h GLU 44 N 0.65 0.40 -0.78 1.13 4.39 -0.97 0.65 114.58 120.06 2kk1 h GLU 44 Ca 0.23 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.85 2kk1 h GLU 44 Cb 0.05 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 2kk1 h GLU 44 CO -0.11 0.26 0.28 0.00 -1.16 0.00 0.00 179.01 178.29 2kk1 h ALA 46 N 1.15 0.56 -0.38 0.00 0.00 -0.86 -3.05 119.26 116.68 2kk1 h ALA 46 Ca 0.26 -0.50 0.11 0.00 0.00 0.00 0.00 54.91 54.78 2kk1 h ALA 46 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2kk1 h ALA 46 CO -0.02 0.68 0.29 0.22 0.00 0.00 0.00 179.25 180.42 2kk1 h ASP 47 N 0.61 0.00 -0.85 0.00 1.82 -0.73 -0.79 116.42 116.48 2kk1 h ASP 47 Ca 0.02 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.71 2kk1 h ASP 47 Cb 1.10 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.06 2kk1 h ASP 47 CO 0.11 0.00 0.56 -0.07 -1.61 0.00 0.00 179.24 178.23 2kk1 h LEU 48 N 0.00 0.87 -0.00 2.28 3.38 -1.45 0.70 115.31 121.09 2kk1 h LEU 48 Ca 0.18 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2kk1 h LEU 48 Cb 0.75 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kk1 h LEU 48 CO -0.00 0.58 -0.02 -0.07 0.09 0.00 0.00 178.44 179.02 2kk1 h LEU 49 N 1.00 0.02 -0.89 1.67 4.07 -1.29 -1.14 115.31 118.75 2kk1 h LEU 49 Ca 0.36 -0.72 0.02 0.00 0.08 0.00 0.00 57.88 57.62 2kk1 h LEU 49 Cb 0.13 -0.01 -0.05 0.00 1.08 0.00 0.00 40.66 41.82 2kk1 h LEU 49 CO -0.12 0.74 0.58 0.77 -1.08 0.00 0.00 178.44 179.33 2kk1 h SER 50 N -0.69 0.98 -0.14 -0.43 4.64 -1.44 -0.75 113.55 115.72 2kk1 h SER 50 Ca -0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2kk1 h SER 50 Cb 0.74 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2kk1 h SER 50 CO 0.00 0.69 0.04 -1.28 -0.87 0.00 0.00 176.83 175.41 2kk1 h SER 51 N 1.15 0.20 -0.36 4.97 0.87 -0.92 -3.25 113.55 116.22 2kk1 h SER 51 Ca 0.34 -0.22 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 2kk1 h SER 51 Cb -0.05 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2kk1 h SER 51 CO -0.10 0.37 -0.06 0.00 -0.53 0.00 0.00 176.83 176.51 2kk1 h ALA 52 N 0.85 1.07 0.00 6.23 0.00 -0.85 -2.86 119.26 123.69 2kk1 h ALA 52 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kk1 h ALA 52 Cb 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kk1 h ALA 52 CO -0.00 0.58 0.00 -0.07 0.00 0.00 0.00 179.25 179.76 2kk1 h LEU 53 N 0.70 0.00 -1.09 0.00 3.38 -1.18 -1.99 115.31 115.14 2kk1 h LEU 53 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2kk1 h LEU 53 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2kk1 h LEU 53 CO 0.03 0.00 -0.05 0.35 0.09 0.00 0.00 178.44 178.86 2kk1 n THR 54 N -2.62 0.00 -4.32 0.22 -2.24 -1.08 -4.62 114.28 99.63 2kk1 n THR 54 Ca 0.00 -0.28 -0.17 0.00 -2.27 0.00 0.00 64.05 61.34 2kk1 n THR 54 Cb 0.20 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.08 1.36 -0.10 -0.78 -1.05 -0.75 -5.12 118.70 110.19 2kk1 s GLU 55 Ca 0.34 -1.72 -0.30 0.00 -0.15 0.00 0.00 54.97 53.15 2kk1 s GLU 55 Cb 0.21 -0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 33.46 2kk1 s GLU 55 CO 0.36 -0.21 1.41 -1.25 0.95 0.00 0.00 175.26 176.52 2kk1 s PRO 56 N -3.96 4.23 0.01 -4.83 0.04 -1.26 -4.67 135.00 124.56 2kk1 s PRO 56 Ca 0.33 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 63.21 2kk1 s PRO 56 Cb 0.07 -3.80 -0.01 0.00 0.04 0.00 0.00 34.50 30.81 2kk1 s PRO 56 CO 0.11 -0.72 0.06 0.14 0.04 0.00 0.00 177.00 176.63 2kk1 s VAL 57 N 3.44 0.10 0.11 -0.36 -7.23 -1.26 -5.00 120.40 110.19 2kk1 s VAL 57 Ca 0.62 -0.81 -0.31 0.00 -1.81 0.00 0.00 61.98 59.67 2kk1 s VAL 57 Cb -0.27 -0.38 -0.08 0.00 0.56 0.00 0.00 36.38 36.21 2kk1 s VAL 57 CO 0.22 -0.44 1.44 -2.16 -0.31 0.00 0.00 175.10 173.84 2kk1 s PRO 58 N -1.48 4.29 0.54 4.82 0.04 -1.26 -3.93 135.00 138.02 2kk1 s PRO 58 Ca -0.15 2.13 0.24 0.00 0.04 0.00 0.00 61.00 63.26 2kk1 s PRO 58 Cb -0.08 -3.29 1.40 0.00 0.04 0.00 0.00 34.50 32.57 2kk1 s PRO 58 CO 0.00 -0.50 2.02 -0.91 0.04 0.00 0.00 177.00 177.65 2kk1 h ASN 59 N 7.00 0.00 -0.79 6.66 4.21 -0.99 0.23 115.58 131.90 2kk1 h ASN 59 Ca -0.42 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.12 2kk1 h ASN 59 Cb 1.20 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.36 2kk1 h ASN 59 CO 0.88 0.00 0.51 0.28 -1.29 0.00 0.00 177.43 177.81 2kk1 h SER 60 N 0.00 0.84 -0.78 5.81 0.02 -1.91 -1.27 113.55 116.26 2kk1 h SER 60 Ca 0.21 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 2kk1 h SER 60 Cb 0.86 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 2kk1 h SER 60 CO -0.00 0.58 0.31 -0.61 -1.14 0.00 0.00 176.83 175.97 2kk1 h GLN 61 N 0.99 1.17 0.08 3.45 -0.00 -0.91 -0.36 115.11 119.53 2kk1 h GLN 61 Ca 0.32 -0.21 -0.00 0.00 -0.00 0.00 0.00 58.65 58.75 2kk1 h GLN 61 Cb 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 27.48 27.30 2kk1 h GLN 61 CO -0.11 0.95 -0.04 -0.07 0.00 0.00 0.00 178.83 179.55 2kk1 h LEU 62 N 1.13 -0.10 -0.59 -2.39 3.38 -1.07 0.49 115.31 116.16 2kk1 h LEU 62 Ca 0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2kk1 h LEU 62 Cb 0.21 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2kk1 h LEU 62 CO -0.02 -0.04 0.32 0.58 0.09 0.00 0.00 178.44 179.37 2kk1 h VAL 63 N -0.14 1.20 -0.10 1.22 2.07 -1.13 0.53 116.25 119.89 2kk1 h VAL 63 Ca -0.01 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.03 2kk1 h VAL 63 Cb 0.11 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2kk1 h VAL 63 CO 0.02 0.21 -0.02 -0.78 0.02 0.00 0.00 177.57 177.03 2kk1 h ASP 64 N 0.81 -0.07 -0.72 0.57 3.58 -0.94 -1.85 116.42 117.79 2kk1 h ASP 64 Ca 0.21 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 2kk1 h ASP 64 Cb 0.05 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 2kk1 h ASP 64 CO -0.03 -0.02 0.42 0.74 -2.88 0.00 0.00 179.24 177.47 2kk1 h THR 65 N 0.01 1.21 0.00 2.25 2.02 -0.69 -2.29 112.91 115.42 2kk1 h THR 65 Ca 0.05 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 2kk1 h THR 65 Cb 0.07 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2kk1 h THR 65 CO -0.09 0.23 -0.16 1.23 0.37 0.00 0.00 175.52 177.09 2kk1 h GLY 66 N 1.05 0.00 0.90 2.16 0.00 -0.39 -3.14 103.07 103.65 2kk1 h GLY 66 Ca 0.26 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.61 2kk1 h GLY 66 CO -0.05 0.00 0.16 0.45 0.00 0.00 0.00 176.54 177.10 2kk1 h HIS 67 N 0.00 0.29 -0.16 5.60 -0.00 -0.74 -2.18 115.15 117.96 2kk1 h HIS 67 Ca -0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 2kk1 h HIS 67 Cb 0.33 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 2kk1 h HIS 67 CO 0.00 0.17 -0.10 -0.56 -0.00 0.00 0.00 177.93 177.44 2kk1 h GLN 68 N 0.33 0.25 -0.84 2.45 3.07 -1.66 -2.39 115.11 116.32 2kk1 h GLN 68 Ca 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.81 2kk1 h GLN 68 Cb 0.02 -0.04 -0.04 0.00 0.08 0.00 0.00 27.48 27.50 2kk1 h GLN 68 CO -0.07 0.36 0.53 -0.07 0.09 0.00 0.00 178.83 179.68 2kk1 h LEU 69 N 0.24 0.98 -0.98 0.06 -0.00 -1.45 0.08 115.31 114.24 2kk1 h LEU 69 Ca 0.05 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 2kk1 h LEU 69 Cb 0.33 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 40.70 2kk1 h LEU 69 CO 0.02 0.73 0.53 -0.07 -0.00 0.00 0.00 178.44 179.65 2kk1 h LEU 70 N 1.14 1.09 0.14 1.67 -0.00 -1.01 0.14 115.31 118.48 2kk1 h LEU 70 Ca 0.30 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 58.10 2kk1 h LEU 70 Cb -0.09 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.29 2kk1 h LEU 70 CO -0.06 0.85 -0.07 -0.78 -0.00 0.00 0.00 178.44 178.38 2kk1 h ASP 71 N 1.25 -0.16 -0.43 -0.43 3.58 -1.27 -0.65 116.42 118.31 2kk1 h ASP 71 Ca 0.32 -0.35 0.05 0.00 0.42 0.00 0.00 57.03 57.48 2kk1 h ASP 71 Cb -0.03 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.02 2kk1 h ASP 71 CO -0.06 0.30 0.15 1.88 -2.88 0.00 0.00 179.24 178.63 2kk1 h TYR 72 N -0.67 0.26 -0.53 0.28 -1.99 -0.96 -2.48 116.97 110.88 2kk1 h TYR 72 Ca -0.02 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 2kk1 h TYR 72 Cb 0.50 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 2kk1 h TYR 72 CO 0.07 0.09 0.20 0.00 -0.00 0.00 0.00 178.16 178.52 2kk1 h SER 74 N 0.73 0.34 0.00 0.00 0.87 -0.83 -1.94 113.55 112.72 2kk1 h SER 74 Ca 0.18 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.55 2kk1 h SER 74 Cb 0.23 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 2kk1 h SER 74 CO -0.01 0.26 -0.93 1.23 -0.53 0.00 0.00 176.83 176.85 2kk1 h GLY 75 N 0.43 0.00 1.08 5.77 0.00 -1.24 -3.40 103.07 105.71 2kk1 h GLY 75 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.47 2kk1 h GLY 75 CO -0.02 0.00 0.55 -1.82 0.00 0.00 0.00 176.54 175.25 2kk1 h TYR 76 N -1.00 1.02 -0.40 5.60 3.20 -0.80 -2.37 116.97 122.22 2kk1 h TYR 76 Ca -0.26 0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.75 2kk1 h TYR 76 Cb 1.22 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2kk1 h TYR 76 CO 0.14 0.60 0.30 -0.24 -1.64 0.00 0.00 178.16 177.33 2kk1 h VAL 77 N 1.07 0.74 -0.01 1.81 3.04 -1.56 -0.27 116.25 121.07 2kk1 h VAL 77 Ca 0.33 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 66.02 2kk1 h VAL 77 Cb -0.00 0.79 -0.00 0.00 -2.01 0.00 0.00 31.29 30.06 2kk1 h VAL 77 CO -0.09 0.00 -0.01 -0.78 -1.01 0.00 0.00 177.57 175.68 2kk1 h ASP 78 N 0.00 0.01 -0.43 3.17 3.58 -1.64 -2.67 116.42 118.44 2kk1 h ASP 78 Ca 0.19 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.64 2kk1 h ASP 78 Cb 0.79 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2kk1 h ASP 78 CO -0.00 0.02 0.00 0.00 -2.88 0.00 0.00 179.24 176.38 2kk1 s ILE 80 N -1.35 4.08 0.02 0.00 1.01 -1.01 -4.96 121.20 118.98 2kk1 s ILE 80 Ca 0.39 1.23 -0.14 0.00 0.00 0.00 0.00 60.65 62.12 2kk1 s ILE 80 Cb 0.22 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.54 2kk1 s ILE 80 CO 0.30 -0.42 1.05 1.55 0.00 0.00 0.00 174.94 177.43 2kk1 h PRO 81 N 9.42 -0.50 -6.05 2.79 0.13 -1.92 -3.42 132.00 132.46 2kk1 h PRO 81 Ca -0.27 0.03 -0.59 0.00 -0.87 0.00 0.00 66.00 64.30 2kk1 h PRO 81 Cb 1.11 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kk1 h PRO 81 CO 1.02 -0.33 1.44 1.04 -0.23 0.00 0.00 178.00 180.94 2kk1 n GLN 82 N -3.59 2.04 -0.08 0.86 3.00 -1.26 -4.85 117.38 113.50 2kk1 n GLN 82 Ca -0.06 0.60 -0.00 0.00 -0.01 0.00 0.00 57.00 57.53 2kk1 n GLN 82 Cb 0.20 -3.12 0.28 0.00 0.00 0.00 0.00 30.24 27.60 2kk1 n GLN 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 2kk1 h THR 83 N 6.86 1.19 -1.00 5.09 2.02 -1.98 0.92 112.91 126.00 2kk1 h THR 83 Ca -0.41 -0.61 0.11 0.00 0.77 0.00 0.00 66.41 66.26 2kk1 h THR 83 Cb 1.25 0.63 -0.08 0.00 -1.74 0.00 0.00 68.15 68.21 2kk1 h THR 83 CO 0.96 0.24 0.64 0.03 0.37 0.00 0.00 175.52 177.75 2kk1 h ARG 84 N 0.70 1.01 -0.10 6.66 2.47 -1.97 0.29 114.38 123.44 2kk1 h ARG 84 Ca 0.17 -0.06 -0.20 0.00 -1.26 0.00 0.00 59.98 58.62 2kk1 h ARG 84 Cb 0.17 -0.23 0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2kk1 h ARG 84 CO -0.01 0.67 -0.73 -0.91 0.56 0.00 0.00 179.97 179.54 2kk1 h ASN 85 N 1.04 0.82 -0.67 7.04 2.35 -1.59 -1.86 115.58 122.70 2kk1 h ASN 85 Ca 0.48 -0.66 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 2kk1 h ASN 85 Cb 0.41 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 2kk1 h ASN 85 CO -0.24 1.35 0.41 0.50 -1.65 0.00 0.00 177.43 177.81 2kk1 h LYS 86 N 0.34 0.92 0.05 0.81 3.64 -0.13 0.35 116.57 122.56 2kk1 h LYS 86 Ca -0.06 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2kk1 h LYS 86 Cb 1.38 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2kk1 h LYS 86 CO 0.15 0.65 -0.02 0.35 -2.27 0.00 0.00 179.45 178.31 2kk1 h PHE 87 N 0.94 -0.06 -0.78 1.91 3.57 -0.50 -2.57 116.94 119.45 2kk1 h PHE 87 Ca 0.25 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.84 2kk1 h PHE 87 Cb -0.03 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 2kk1 h PHE 87 CO 0.00 0.52 0.51 0.00 -2.23 0.00 0.00 178.31 177.11 2kk1 h ALA 88 N 0.14 1.76 0.40 2.41 0.00 -1.16 -0.97 119.26 121.84 2kk1 h ALA 88 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2kk1 h ALA 88 Cb 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kk1 h ALA 88 CO 0.01 0.09 -0.19 0.35 0.00 0.00 0.00 179.25 179.51 2kk1 h PHE 89 N 0.73 -0.50 -0.28 0.00 3.57 -0.33 -1.86 116.94 118.26 2kk1 h PHE 89 Ca 0.36 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.84 2kk1 h PHE 89 Cb 0.42 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2kk1 h PHE 89 CO -0.00 -0.28 0.18 0.00 -2.23 0.00 0.00 178.31 175.98 2kk1 h ARG 90 N -0.59 0.38 -0.76 1.11 2.47 -1.00 -0.57 114.38 115.42 2kk1 h ARG 90 Ca -0.05 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 2kk1 h ARG 90 Cb 0.44 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.64 2kk1 h ARG 90 CO 0.09 0.28 0.41 1.05 0.56 0.00 0.00 179.97 182.36 2kk1 h GLU 91 N 0.37 1.07 -0.55 0.04 4.11 -1.21 0.54 114.58 118.96 2kk1 h GLU 91 Ca 0.10 -0.13 -0.05 0.00 0.07 0.00 0.00 59.36 59.35 2kk1 h GLU 91 Cb -0.01 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 2kk1 h GLU 91 CO -0.02 0.80 0.14 0.00 0.07 0.00 0.00 179.01 180.01 2kk1 h ALA 92 N 1.21 0.73 -0.88 1.06 0.00 -1.15 -2.52 119.26 117.71 2kk1 h ALA 92 Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kk1 h ALA 92 Cb 0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2kk1 h ALA 92 CO -0.04 0.42 0.56 0.28 0.00 0.00 0.00 179.25 180.47 2kk1 h VAL 93 N 0.78 1.23 -0.54 0.00 2.07 -0.59 -0.81 116.25 118.39 2kk1 h VAL 93 Ca 0.17 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.27 2kk1 h VAL 93 Cb 0.33 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 2kk1 h VAL 93 CO -0.00 0.23 0.30 0.28 0.02 0.00 0.00 177.57 178.40 2kk1 h SER 94 N 1.20 0.46 -0.15 0.57 0.02 -0.56 0.08 113.55 115.17 2kk1 h SER 94 Ca 0.32 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.21 2kk1 h SER 94 Cb -0.10 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2kk1 h SER 94 CO -0.07 0.32 -0.15 0.11 -1.14 0.00 0.00 176.83 175.91 2kk1 h LYS 95 N 0.59 0.54 0.28 3.45 6.56 -1.06 -1.97 116.57 124.94 2kk1 h LYS 95 Ca 0.23 -0.17 -0.01 0.00 -1.06 0.00 0.00 60.65 59.64 2kk1 h LYS 95 Cb 0.08 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 2kk1 h LYS 95 CO -0.13 0.67 -0.13 1.25 -2.06 0.00 0.00 179.45 179.05 2kk1 h LEU 96 N 0.49 -0.31 -0.39 2.94 5.85 -0.13 -0.14 115.31 123.62 2kk1 h LEU 96 Ca 0.09 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2kk1 h LEU 96 Cb 0.54 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2kk1 h LEU 96 CO 0.03 -0.17 0.02 1.05 -0.34 0.00 0.00 178.44 179.04 2kk1 h GLU 97 N -0.44 0.67 -0.70 1.25 4.11 -1.00 0.56 114.58 119.04 2kk1 h GLU 97 Ca -0.04 -0.20 0.01 0.00 0.07 0.00 0.00 59.36 59.20 2kk1 h GLU 97 Cb 0.33 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2kk1 h GLU 97 CO 0.06 0.75 0.46 -0.07 0.07 0.00 0.00 179.01 180.28 2kk1 h LEU 98 N 0.50 0.78 -0.93 3.06 -0.00 -1.37 -0.94 115.31 116.41 2kk1 h LEU 98 Ca 0.11 -0.02 -0.10 0.00 -0.00 0.00 0.00 57.88 57.87 2kk1 h LEU 98 Cb 0.44 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 2kk1 h LEU 98 CO 0.02 0.56 -0.33 0.28 -0.00 0.00 0.00 178.44 178.97 2kk1 h SER 99 N 0.92 0.39 -0.44 -0.43 0.02 -0.79 -1.87 113.55 111.35 2kk1 h SER 99 Ca 0.26 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 2kk1 h SER 99 Cb -0.07 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2kk1 h SER 99 CO -0.07 0.70 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.20 2kk1 h LEU 100 N 0.33 0.82 -0.50 5.07 3.38 -0.38 0.78 115.31 124.81 2kk1 h LEU 100 Ca 0.04 -0.34 -0.17 0.00 0.09 0.00 0.00 57.88 57.51 2kk1 h LEU 100 Cb 0.74 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2kk1 h LEU 100 CO 0.06 0.96 -0.66 0.06 0.09 0.00 0.00 178.44 178.95 2kk1 h GLN 101 N 0.66 0.37 0.00 1.13 3.07 -1.09 -2.80 115.11 116.45 2kk1 h GLN 101 Ca 0.12 -0.28 -0.17 0.00 0.09 0.00 0.00 58.65 58.41 2kk1 h GLN 101 Cb 0.58 0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.16 2kk1 h GLN 101 CO 0.03 0.90 -0.81 1.05 0.09 0.00 0.00 178.83 180.09 2kk1 h GLU 102 N 0.27 0.00 0.59 0.06 4.11 -1.34 -3.34 114.58 114.93 2kk1 h GLU 102 Ca -0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 2kk1 h GLU 102 Cb 1.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.46 2kk1 h GLU 102 CO 0.11 0.81 -0.28 1.25 0.07 0.00 0.00 179.01 180.97 2kk1 h LEU 103 N 0.00 -0.67 -1.79 3.06 5.85 -0.76 0.10 115.31 121.10 2kk1 h LEU 103 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kk1 h LEU 103 Cb 1.55 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.76 2kk1 h LEU 103 CO 0.11 -0.45 0.13 0.06 -0.34 0.00 0.00 178.44 177.94 2kk1 h GLN 104 N -0.84 0.00 0.00 1.25 3.07 -1.62 -0.20 115.11 116.77 2kk1 h GLN 104 Ca -0.08 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.42 2kk1 h GLN 104 Cb 0.63 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.14 2kk1 h GLN 104 CO 0.13 0.00 -1.92 1.33 0.09 0.00 0.00 178.83 178.47 2kk1 n VAL 105 N -2.52 0.92 0.30 1.86 0.24 -1.14 -4.68 118.33 113.31 2kk1 n VAL 105 Ca -0.02 -0.49 0.12 0.00 -2.04 0.00 0.00 64.34 61.90 2kk1 n VAL 105 Cb 0.17 -0.80 0.04 0.00 -1.47 0.00 0.00 33.84 31.78 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 -2.65 0.74 0.33 -1.34 7.64 0.34 -4.43 113.62 114.24 2kk1 n SER 106 Ca -0.24 0.17 -0.17 0.00 1.01 0.00 0.00 58.87 59.64 2kk1 n SER 106 Cb 0.89 0.48 -0.09 0.00 -1.01 0.00 0.00 64.21 64.48 2kk1 n SER 106 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2kk1 h SER 107 N 0.00 -1.19 0.00 6.43 0.02 -1.26 -3.45 113.55 114.10 2kk1 h SER 107 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2kk1 h SER 107 Cb 0.89 0.37 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2kk1 h SER 107 CO 0.00 -0.64 0.00 0.00 -1.14 0.00 0.00 176.83 175.05 2kk1 n ALA 108 N -2.71 0.00 0.94 3.77 0.00 -1.26 -4.58 120.51 116.66 2kk1 n ALA 108 Ca -0.12 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.36 2kk1 n ALA 108 Cb 0.44 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.11 2kk1 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 n ALA 109 N 0.00 2.01 0.00 0.00 0.00 -1.26 -4.88 120.51 116.39 2kk1 n ALA 109 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2kk1 n ALA 109 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2kk1 n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 n ALA 110 N -0.76 0.00 -2.85 0.00 0.00 -1.26 -4.31 120.51 111.33 2kk1 n ALA 110 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 2kk1 n ALA 110 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.49 2kk1 n ALA 110 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kk1 s GLY 111 N 0.00 -1.41 -0.09 0.00 0.00 -1.26 -0.31 107.32 104.25 2kk1 s GLY 111 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.81 2kk1 s GLY 111 CO 0.00 3.84 -0.13 0.14 0.00 0.00 0.00 173.10 176.95 2kk1 s VAL 112 N 1.23 1.27 0.14 1.40 1.01 -1.25 -4.56 120.40 119.63 2kk1 s VAL 112 Ca 0.24 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 2kk1 s VAL 112 Cb 0.02 -1.18 -0.10 0.00 0.00 0.00 0.00 36.38 35.11 2kk1 s VAL 112 CO -0.07 0.39 1.77 -2.16 0.00 0.00 0.00 175.10 175.03 2kk1 s PRO 113 N 0.95 4.15 -2.16 2.72 0.04 -1.26 -2.54 135.00 136.90 2kk1 s PRO 113 Ca -0.08 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2kk1 s PRO 113 Cb -0.15 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2kk1 s PRO 113 CO -0.00 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.66 2kk1 n GLY 114 N 4.12 1.74 0.20 0.56 0.00 -1.26 -4.86 105.19 105.68 2kk1 n GLY 114 Ca 0.17 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 0.77 -3.97 2.61 1.03 -1.93 -3.44 112.91 107.98 2kk1 h THR 115 Ca -0.43 -1.37 -0.33 0.00 -0.01 0.00 0.00 66.41 64.27 2kk1 h THR 115 Cb 1.35 1.86 -0.23 0.00 -1.07 0.00 0.00 68.15 70.06 2kk1 h THR 115 CO 0.62 0.31 -0.75 0.54 -0.01 0.00 0.00 175.52 176.22 2kk1 s ASN 116 N -6.36 1.07 0.57 0.00 2.20 -1.26 -5.04 114.94 106.11 2kk1 s ASN 116 Ca 0.00 -0.45 0.27 0.00 -0.94 0.00 0.00 52.86 51.74 2kk1 s ASN 116 Cb 0.11 -0.02 1.56 0.00 -2.00 0.00 0.00 41.25 40.90 2kk1 s ASN 116 CO 0.67 -0.09 2.07 -0.65 -2.94 0.00 0.00 177.10 176.16 2kk1 h PRO 117 N 4.85 0.00 -0.68 3.55 0.11 -2.01 -2.02 132.00 135.80 2kk1 h PRO 117 Ca -0.35 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.84 2kk1 h PRO 117 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2kk1 h PRO 117 CO 0.43 0.00 0.45 0.28 -0.21 0.00 0.00 178.00 178.95 2kk1 h VAL 118 N 0.00 0.97 -0.71 3.15 2.07 -1.96 0.61 116.25 120.37 2kk1 h VAL 118 Ca 0.12 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2kk1 h VAL 118 Cb 0.60 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2kk1 h VAL 118 CO -0.00 0.11 0.39 -0.07 0.02 0.00 0.00 177.57 178.02 2kk1 h LEU 119 N 0.62 0.87 -0.53 2.57 3.38 -1.75 -0.41 115.31 120.06 2kk1 h LEU 119 Ca 0.30 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 2kk1 h LEU 119 Cb 0.38 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2kk1 h LEU 119 CO -0.10 0.70 -0.13 -1.13 0.09 0.00 0.00 178.44 177.88 2kk1 h ASN 120 N 0.99 1.03 -0.20 -0.43 -1.24 -1.06 -1.43 115.58 113.24 2kk1 h ASN 120 Ca 0.25 -0.36 0.03 0.00 0.71 0.00 0.00 56.30 56.93 2kk1 h ASN 120 Cb 0.02 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.76 2kk1 h ASN 120 CO -0.04 1.15 0.02 0.78 -1.29 0.00 0.00 177.43 178.05 2kk1 h ASN 121 N 0.89 -0.03 -0.25 1.15 2.35 -0.59 -0.06 115.58 119.04 2kk1 h ASN 121 Ca 0.13 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.96 2kk1 h ASN 121 Cb 0.70 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.09 2kk1 h ASN 121 CO 0.05 0.01 0.03 -0.07 -1.65 0.00 0.00 177.43 175.80 2kk1 h LEU 122 N 0.09 -0.03 -0.11 1.61 3.38 -0.99 0.40 115.31 119.66 2kk1 h LEU 122 Ca 0.09 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.15 2kk1 h LEU 122 Cb 0.10 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 2kk1 h LEU 122 CO -0.14 0.02 -0.22 0.25 0.09 0.00 0.00 178.44 178.44 2kk1 h LEU 123 N 0.12 -0.67 -0.85 1.67 5.85 -0.91 0.12 115.31 120.64 2kk1 h LEU 123 Ca 0.12 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.98 2kk1 h LEU 123 Cb 0.13 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 2kk1 h LEU 123 CO -0.17 -0.27 0.55 -1.28 -0.34 0.00 0.00 178.44 176.92 2kk1 h SER 124 N -0.29 0.90 -0.07 1.25 0.87 -0.78 -1.06 113.55 114.37 2kk1 h SER 124 Ca 0.09 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2kk1 h SER 124 Cb 0.42 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2kk1 h SER 124 CO -0.27 0.62 0.02 0.00 -0.53 0.00 0.00 176.83 176.66 2kk1 h VAL 126 N -0.09 1.14 -0.83 0.00 2.07 -0.59 0.47 116.25 118.42 2kk1 h VAL 126 Ca 0.02 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.22 2kk1 h VAL 126 Cb 0.24 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2kk1 h VAL 126 CO 0.00 0.14 0.53 1.56 0.02 0.00 0.00 177.57 179.83 2kk1 h GLN 127 N 0.50 1.02 0.47 1.57 4.20 -1.18 -1.40 115.11 120.29 2kk1 h GLN 127 Ca 0.14 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2kk1 h GLN 127 Cb 0.04 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.59 2kk1 h GLN 127 CO -0.02 0.68 -0.23 1.49 -0.67 0.00 0.00 178.83 180.08 2kk1 h GLU 128 N 1.05 -0.61 0.10 1.46 4.57 -0.69 -1.61 114.58 118.85 2kk1 h GLU 128 Ca 0.32 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.57 2kk1 h GLU 128 Cb -0.03 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 2kk1 h GLU 128 CO -0.10 -0.37 -0.33 0.82 -1.18 0.00 0.00 179.01 177.85 2kk1 h ILE 129 N -0.71 0.30 -0.17 2.32 2.04 -0.74 -0.17 117.51 120.38 2kk1 h ILE 129 Ca -0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.81 2kk1 h ILE 129 Cb 0.52 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2kk1 h ILE 129 CO 0.11 0.00 0.05 0.77 0.00 0.00 0.00 178.15 179.07 2kk1 h SER 130 N -0.54 0.04 -0.27 1.72 4.64 -1.32 -2.47 113.55 115.36 2kk1 h SER 130 Ca 0.04 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.39 2kk1 h SER 130 Cb 0.58 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 2kk1 h SER 130 CO -0.21 0.05 0.14 -0.78 -0.87 0.00 0.00 176.83 175.16 2kk1 h ASP 131 N 0.13 0.21 -0.67 4.97 1.82 -1.07 -2.68 116.42 119.12 2kk1 h ASP 131 Ca 0.08 0.01 0.09 0.00 -0.39 0.00 0.00 57.03 56.81 2kk1 h ASP 131 Cb 0.06 -0.03 -0.07 0.00 0.68 0.00 0.00 39.33 39.96 2kk1 h ASP 131 CO -0.09 0.16 0.31 0.58 -1.61 0.00 0.00 179.24 178.60 2kk1 h VAL 132 N 0.29 0.83 -0.16 2.25 2.07 -0.86 -0.88 116.25 119.79 2kk1 h VAL 132 Ca 0.11 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2kk1 h VAL 132 Cb 0.02 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2kk1 h VAL 132 CO -0.07 0.10 0.08 0.58 0.02 0.00 0.00 177.57 178.28 2kk1 h VAL 133 N 0.54 1.06 0.00 2.57 2.07 -1.13 -2.14 116.25 119.22 2kk1 h VAL 133 Ca 0.33 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2kk1 h VAL 133 Cb 0.36 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2kk1 h VAL 133 CO -0.27 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.38 2kk1 n GLN 134 N -4.48 0.11 0.00 1.57 6.02 -0.34 -5.13 117.38 115.12 2kk1 n GLN 134 Ca -0.01 0.09 0.15 0.00 -0.01 0.00 0.00 57.00 57.23 2kk1 n GLN 134 Cb 0.10 -1.50 0.71 0.00 1.02 0.00 0.00 30.24 30.57 2kk1 n GLN 134 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59