#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kne n ASP 2 N 0.00 1.96 -2.60 0.00 5.75 -1.26 -4.06 116.55 116.34 2kne n ASP 2 Ca 0.00 -1.82 -0.02 0.00 -0.01 0.00 0.00 54.79 52.94 2kne n ASP 2 Cb 0.00 -0.16 -0.02 0.00 -1.03 0.00 0.00 41.12 39.91 2kne n ASP 2 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2kne n GLN 3 N 0.53 -3.21 0.00 0.11 7.27 -1.26 -4.98 117.38 115.84 2kne n GLN 3 Ca 0.16 2.45 0.00 0.00 0.07 0.00 0.00 57.00 59.68 2kne n GLN 3 Cb 0.36 -3.22 0.00 0.00 2.41 0.00 0.00 30.24 29.79 2kne n GLN 3 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 2kne n LEU 4 N 2.02 0.00 -4.73 1.69 -0.00 -1.26 -5.03 117.00 109.69 2kne n LEU 4 Ca -0.17 -0.27 -0.41 0.00 -0.00 0.00 0.00 56.01 55.16 2kne n LEU 4 Cb 0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.63 2kne n LEU 4 CO 0.16 0.00 0.66 0.42 -0.00 0.00 0.00 177.39 178.63 2kne s THR 5 N -1.38 4.44 0.10 1.47 -4.23 -1.26 -4.96 115.64 109.82 2kne s THR 5 Ca 0.00 2.07 -0.34 0.00 -1.18 0.00 0.00 61.69 62.24 2kne s THR 5 Cb 0.00 -4.32 -0.14 0.00 1.34 0.00 0.00 72.50 69.37 2kne s THR 5 CO 0.00 0.34 1.55 -0.08 -0.54 0.00 0.00 174.62 175.89 2kne h GLU 6 N 5.37 -0.71 -0.87 3.99 4.81 -2.02 -2.04 114.58 123.10 2kne h GLU 6 Ca -0.43 0.05 0.33 0.00 -0.13 0.00 0.00 59.36 59.18 2kne h GLU 6 Cb 1.21 0.16 -0.12 0.00 0.63 0.00 0.00 28.75 30.63 2kne h GLU 6 CO 0.71 -0.48 0.52 -1.91 -0.73 0.00 0.00 179.01 177.13 2kne n GLU 7 N -5.43 -0.04 0.11 1.92 4.07 -1.26 0.29 120.64 120.31 2kne n GLU 7 Ca -0.08 0.96 -0.02 0.00 -0.06 0.00 0.00 57.16 57.96 2kne n GLU 7 Cb 0.41 -1.81 0.20 0.00 -0.06 0.00 0.00 31.44 30.18 2kne n GLU 7 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2kne h GLN 8 N 0.00 0.15 -0.65 5.31 4.20 -1.77 -2.19 115.11 120.16 2kne h GLN 8 Ca 0.63 -0.09 0.05 0.00 0.06 0.00 0.00 58.65 59.31 2kne h GLN 8 Cb 1.86 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.60 2kne h GLN 8 CO -0.45 0.62 0.37 0.82 -0.67 0.00 0.00 178.83 179.52 2kne h ILE 9 N 0.12 0.99 -0.21 2.54 2.04 0.43 -0.23 117.51 123.20 2kne h ILE 9 Ca 0.00 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.68 2kne h ILE 9 Cb 0.94 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 2kne h ILE 9 CO 0.07 0.13 -0.15 0.00 0.00 0.00 0.00 178.15 178.20 2kne h ALA 10 N 1.33 0.00 -0.30 1.87 0.00 -1.32 0.64 119.26 121.48 2kne h ALA 10 Ca 0.29 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2kne h ALA 10 Cb 0.14 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2kne h ALA 10 CO -0.16 -0.58 0.15 1.49 0.00 0.00 0.00 179.25 180.15 2kne h GLU 11 N -0.15 0.44 -0.84 0.00 4.22 -1.04 -2.99 114.58 114.22 2kne h GLU 11 Ca 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.48 2kne h GLU 11 Cb 0.33 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 2kne h GLU 11 CO -0.30 0.41 0.46 0.74 -2.18 0.00 0.00 179.01 178.13 2kne h PHE 12 N 0.36 1.16 -0.01 0.92 0.04 -0.79 -3.01 116.94 115.62 2kne h PHE 12 Ca 0.10 -0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.88 2kne h PHE 12 Cb 0.11 -0.37 -0.05 0.00 2.20 0.00 0.00 35.95 37.84 2kne h PHE 12 CO -0.02 0.81 -0.36 -0.22 -0.60 0.00 0.00 178.31 177.92 2kne h LYS 13 N 1.18 -0.49 -0.89 1.51 3.64 -0.72 -0.73 116.57 120.06 2kne h LYS 13 Ca 0.30 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.92 2kne h LYS 13 Cb 0.04 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 31.85 2kne h LYS 13 CO -0.05 -0.33 0.40 0.93 -2.27 0.00 0.00 179.45 178.13 2kne h GLU 14 N -0.51 0.42 -0.84 1.90 5.08 -1.49 0.15 114.58 119.29 2kne h GLU 14 Ca 0.06 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 2kne h GLU 14 Cb 0.60 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 2kne h GLU 14 CO -0.29 0.28 0.54 0.00 -1.00 0.00 0.00 179.01 178.54 2kne h ALA 15 N 1.68 1.68 -0.94 3.43 0.00 -1.07 -2.48 119.26 121.56 2kne h ALA 15 Ca 0.54 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.52 2kne h ALA 15 Cb 0.99 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 2kne h ALA 15 CO -0.50 0.15 0.59 0.74 0.00 0.00 0.00 179.25 180.23 2kne h PHE 16 N 0.82 1.09 0.00 0.00 -1.00 -0.20 0.25 116.94 117.90 2kne h PHE 16 Ca 0.38 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.19 2kne h PHE 16 Cb 0.39 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.60 2kne h PHE 16 CO -0.00 0.52 0.00 0.66 -1.61 0.00 0.00 178.31 177.88 2kne h SER 17 N 1.04 0.00 -0.54 2.17 4.64 -1.49 -2.29 113.55 117.08 2kne h SER 17 Ca 0.43 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.71 2kne h SER 17 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 2kne h SER 17 CO -0.20 0.00 0.21 0.25 -0.87 0.00 0.00 176.83 176.22 2kne h LEU 18 N 0.00 0.75 0.00 5.97 5.85 -0.99 -3.28 115.31 123.60 2kne h LEU 18 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2kne h LEU 18 Cb 0.23 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2kne h LEU 18 CO 0.00 0.72 -1.13 2.22 -0.34 0.00 0.00 178.44 179.91 2kne n PHE 19 N -4.51 0.00 -2.32 1.25 1.16 -1.16 -4.87 117.46 107.01 2kne n PHE 19 Ca 0.02 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.23 2kne n PHE 19 Cb 0.16 -0.15 -0.03 0.00 -1.61 0.00 0.00 39.48 37.85 2kne n PHE 19 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2kne s ASP 20 N -2.97 5.81 0.03 5.98 1.01 -0.87 -4.83 116.67 120.82 2kne s ASP 20 Ca 0.01 -0.49 -0.22 0.00 0.71 0.00 0.00 52.55 52.55 2kne s ASP 20 Cb 0.10 -2.55 -0.15 0.00 1.01 0.00 0.00 42.92 41.32 2kne s ASP 20 CO 0.60 -2.08 1.39 0.11 0.21 0.00 0.00 175.17 175.41 2kne h LYS 21 N 11.57 0.19 -0.58 8.23 1.79 -1.89 -3.27 116.57 132.61 2kne h LYS 21 Ca -0.11 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 2kne h LYS 21 Cb 1.06 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 2kne h LYS 21 CO 1.28 0.53 0.00 -0.40 -1.08 0.00 0.00 179.45 179.78 2kne n ASP 22 N -4.75 4.42 -4.05 0.86 5.75 -1.26 -4.97 116.55 112.55 2kne n ASP 22 Ca -0.07 -2.43 -0.28 0.00 -0.01 0.00 0.00 54.79 52.01 2kne n ASP 22 Cb 0.25 -0.53 -0.08 0.00 -1.03 0.00 0.00 41.12 39.73 2kne n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 23 N 0.91 -0.13 0.16 6.12 0.00 -1.24 -4.77 105.19 106.24 2kne n GLY 23 Ca 0.24 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.53 2kne n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kne n ASP 24 N -2.35 0.66 0.00 1.61 5.75 -1.26 -4.91 116.55 116.06 2kne n ASP 24 Ca -0.23 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.86 2kne n ASP 24 Cb 0.57 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 2kne n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 25 N 1.30 0.84 3.06 6.12 0.00 -1.26 -5.03 105.19 110.22 2kne n GLY 25 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 2kne n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kne s THR 26 N -2.88 0.24 -0.21 2.61 -4.23 -1.26 -4.71 115.64 105.21 2kne s THR 26 Ca 0.00 -1.48 -0.17 0.00 -1.18 0.00 0.00 61.69 58.86 2kne s THR 26 Cb 0.00 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 2kne s THR 26 CO 0.00 -0.79 0.46 -0.63 -0.54 0.00 0.00 174.62 173.12 2kne s ILE 27 N -2.93 5.15 0.35 2.99 -1.09 -0.73 -4.94 121.20 119.99 2kne s ILE 27 Ca -0.01 0.83 0.09 0.00 -2.23 0.00 0.00 60.65 59.32 2kne s ILE 27 Cb 0.01 -3.79 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 2kne s ILE 27 CO -0.06 0.21 0.06 0.28 -1.23 0.00 0.00 174.94 174.19 2kne s THR 28 N 1.54 2.66 0.27 2.92 -1.32 -1.26 -2.58 115.64 117.87 2kne s THR 28 Ca 0.21 -1.89 -0.02 0.00 -1.21 0.00 0.00 61.69 58.78 2kne s THR 28 Cb -0.15 -2.86 0.27 0.00 -1.51 0.00 0.00 72.50 68.25 2kne s THR 28 CO 0.09 -0.17 1.91 0.71 -2.21 0.00 0.00 174.62 174.94 2kne h THR 29 N 1.71 1.13 0.88 5.08 1.35 -1.93 -1.78 112.91 119.35 2kne h THR 29 Ca -0.43 -0.40 -0.04 0.00 -0.55 0.00 0.00 66.41 64.99 2kne h THR 29 Cb 1.25 -0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2kne h THR 29 CO 0.67 0.21 -0.49 0.50 -0.25 0.00 0.00 175.52 176.16 2kne h LYS 30 N 1.18 -1.22 -0.06 4.72 3.64 -1.99 -2.25 116.57 120.58 2kne h LYS 30 Ca 0.40 0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.83 2kne h LYS 30 Cb 0.09 0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2kne h LYS 30 CO -0.14 -0.82 -0.12 1.05 -2.27 0.00 0.00 179.45 177.15 2kne h GLU 31 N -1.27 0.09 0.63 1.90 4.11 -1.89 -2.20 114.58 115.95 2kne h GLU 31 Ca -0.12 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 2kne h GLU 31 Cb 1.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2kne h GLU 31 CO 0.15 0.21 -0.32 1.25 0.07 0.00 0.00 179.01 180.38 2kne h LEU 32 N 0.08 -0.75 -1.11 3.06 5.85 -1.12 -2.80 115.31 118.51 2kne h LEU 32 Ca 0.02 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2kne h LEU 32 Cb 0.27 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 2kne h LEU 32 CO 0.02 -0.53 0.60 1.23 -0.34 0.00 0.00 178.44 179.42 2kne h GLY 33 N -0.86 1.28 0.86 3.75 0.00 -1.21 -2.58 103.07 104.30 2kne h GLY 33 Ca -0.08 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 2kne h GLY 33 CO 0.13 0.46 -0.18 -0.84 0.00 0.00 0.00 176.54 176.11 2kne h THR 34 N 1.22 0.61 -0.45 4.70 2.02 -1.29 -0.93 112.91 118.78 2kne h THR 34 Ca 0.34 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.55 2kne h THR 34 Cb -0.12 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 2kne h THR 34 CO -0.08 0.00 0.23 0.58 0.37 0.00 0.00 175.52 176.62 2kne h VAL 35 N -0.44 0.98 -0.83 3.16 2.07 -1.23 -1.91 116.25 118.06 2kne h VAL 35 Ca -0.02 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2kne h VAL 35 Cb 0.38 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2kne h VAL 35 CO -0.00 0.08 0.54 -0.03 0.02 0.00 0.00 177.57 178.19 2kne h MET 36 N 0.46 1.05 -0.87 1.57 -1.53 -1.31 -1.65 114.93 112.66 2kne h MET 36 Ca 0.19 -0.06 0.11 0.00 -3.44 0.00 0.00 59.70 56.50 2kne h MET 36 Cb 0.09 -0.24 -0.08 0.00 -0.55 0.00 0.00 31.60 30.82 2kne h MET 36 CO -0.13 0.70 0.49 -0.09 0.14 0.00 0.00 176.91 178.02 2kne h ARG 37 N 1.09 0.76 0.00 0.39 2.43 -0.50 0.52 114.38 119.06 2kne h ARG 37 Ca 0.32 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 2kne h ARG 37 Cb -0.07 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 2kne h ARG 37 CO -0.09 0.50 -0.06 0.77 -1.51 0.00 0.00 179.97 179.59 2kne h SER 38 N 0.78 0.00 0.22 -3.80 0.02 -0.57 0.16 113.55 110.36 2kne h SER 38 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 2kne h SER 38 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2kne h SER 38 CO -0.28 0.06 0.00 -0.11 -1.14 0.00 0.00 176.83 175.36 2kne n LEU 39 N -3.41 0.00 0.00 5.07 7.94 0.18 -4.83 117.00 121.94 2kne n LEU 39 Ca -0.02 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 2kne n LEU 39 Cb 0.20 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 43.98 2kne n LEU 39 CO 0.27 -0.06 0.00 0.61 -1.11 0.00 0.00 177.39 177.10 2kne n GLY 40 N 0.36 0.76 3.75 -3.96 0.00 0.04 -5.08 105.19 101.06 2kne n GLY 40 Ca 0.12 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2kne n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kne s GLN 41 N -0.67 2.71 -0.67 1.61 -1.52 -1.23 -5.07 119.66 114.82 2kne s GLN 41 Ca 0.00 -0.99 0.04 0.00 -1.95 0.00 0.00 55.36 52.47 2kne s GLN 41 Cb 0.00 -2.52 0.30 0.00 -0.22 0.00 0.00 33.01 30.56 2kne s GLN 41 CO 0.00 0.46 0.96 0.27 -0.25 0.00 0.00 175.29 176.73 2kne n ASN 42 N -0.35 4.52 -4.76 5.90 2.04 -1.26 -4.20 115.26 117.14 2kne n ASN 42 Ca -0.09 -3.56 -0.38 0.00 -0.44 0.00 0.00 54.58 50.11 2kne n ASN 42 Cb 0.55 -0.70 0.01 0.00 -2.53 0.00 0.00 39.78 37.11 2kne n ASN 42 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 2kne s PRO 43 N -3.05 3.56 0.76 -0.53 0.04 -1.26 -5.02 135.00 129.50 2kne s PRO 43 Ca 0.43 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.41 2kne s PRO 43 Cb 0.20 -2.43 0.05 0.00 0.04 0.00 0.00 34.50 32.36 2kne s PRO 43 CO -0.06 -0.80 1.14 0.95 0.04 0.00 0.00 177.00 178.27 2kne s THR 44 N -1.38 2.74 0.20 1.26 -4.23 -1.26 -4.94 115.64 108.02 2kne s THR 44 Ca 0.65 0.24 -0.11 0.00 -1.18 0.00 0.00 61.69 61.29 2kne s THR 44 Cb -0.36 -3.23 0.12 0.00 1.34 0.00 0.00 72.50 70.37 2kne s THR 44 CO 0.43 -0.31 1.82 1.05 -0.54 0.00 0.00 174.62 177.07 2kne h GLU 45 N -0.87 0.68 -0.15 3.99 4.11 -2.03 -1.32 114.58 118.99 2kne h GLU 45 Ca -0.46 -0.04 0.04 0.00 0.07 0.00 0.00 59.36 58.98 2kne h GLU 45 Cb 1.29 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2kne h GLU 45 CO 0.65 0.45 0.27 0.00 0.07 0.00 0.00 179.01 180.45 2kne h ALA 46 N 1.30 1.62 -0.51 1.06 0.00 -2.01 -0.12 119.26 120.60 2kne h ALA 46 Ca 0.27 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 2kne h ALA 46 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2kne h ALA 46 CO -0.14 -0.35 -0.10 1.49 0.00 0.00 0.00 179.25 180.15 2kne h GLU 47 N 0.00 0.94 -0.96 0.00 4.57 -1.60 -1.79 114.58 115.74 2kne h GLU 47 Ca 0.07 -0.33 0.09 0.00 -1.18 0.00 0.00 59.36 58.01 2kne h GLU 47 Cb 0.62 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.07 2kne h GLU 47 CO -0.00 0.99 0.60 -0.07 -1.18 0.00 0.00 179.01 179.35 2kne h LEU 48 N 0.84 0.93 0.29 1.64 4.07 -1.10 -1.75 115.31 120.22 2kne h LEU 48 Ca 0.14 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 2kne h LEU 48 Cb 0.63 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.21 2kne h LEU 48 CO 0.04 0.55 -0.14 -0.61 -1.08 0.00 0.00 178.44 177.21 2kne h GLN 49 N 1.04 -0.37 -0.33 1.13 4.15 -1.53 -2.68 115.11 116.52 2kne h GLN 49 Ca 0.44 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.95 2kne h GLN 49 Cb 0.30 0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.02 2kne h GLN 49 CO -0.21 -0.07 -0.04 0.22 -1.93 0.00 0.00 178.83 176.80 2kne h ASP 50 N -0.99 -0.21 0.16 -0.69 3.58 -1.25 -0.97 116.42 116.04 2kne h ASP 50 Ca -0.04 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2kne h ASP 50 Cb 0.47 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2kne h ASP 50 CO 0.06 -0.07 -0.08 0.24 -2.88 0.00 0.00 179.24 176.52 2kne h MET 51 N 0.05 -0.20 -0.27 0.28 2.86 -1.45 -2.76 114.93 113.43 2kne h MET 51 Ca 0.16 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 2kne h MET 51 Cb 0.23 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 2kne h MET 51 CO -0.30 0.11 0.10 0.82 1.06 0.00 0.00 176.91 178.69 2kne h ILE 52 N -0.52 0.94 -0.60 -1.22 1.08 -1.42 -2.24 117.51 113.53 2kne h ILE 52 Ca -0.02 -0.08 0.09 0.00 -0.39 0.00 0.00 64.86 64.46 2kne h ILE 52 Cb 0.40 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 2kne h ILE 52 CO 0.04 0.04 0.40 0.78 -0.69 0.00 0.00 178.15 178.72 2kne h ASN 53 N 0.22 0.41 -0.60 1.72 2.35 -1.21 0.11 115.58 118.58 2kne h ASN 53 Ca 0.12 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 2kne h ASN 53 Cb 0.08 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2kne h ASN 53 CO -0.12 0.25 -0.03 -0.08 -1.65 0.00 0.00 177.43 175.81 2kne h GLU 54 N 0.45 1.07 0.00 0.81 4.22 -1.10 -3.08 114.58 116.96 2kne h GLU 54 Ca 0.27 -0.36 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 2kne h GLU 54 Cb 0.47 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2kne h GLU 54 CO -0.08 1.06 -0.65 0.28 -2.18 0.00 0.00 179.01 177.44 2kne h VAL 55 N 0.97 0.03 -0.95 0.32 2.07 -1.29 -3.44 116.25 113.97 2kne h VAL 55 Ca 0.17 -1.06 -0.56 0.00 0.82 0.00 0.00 66.70 66.07 2kne h VAL 55 Cb 0.59 1.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.99 2kne h VAL 55 CO 0.04 0.02 1.55 -0.62 0.02 0.00 0.00 177.57 178.58 2kne s ASP 56 N -5.70 6.32 0.28 0.57 2.15 -0.03 -4.84 116.67 115.42 2kne s ASP 56 Ca 0.02 -1.62 -0.02 0.00 0.43 0.00 0.00 52.55 51.37 2kne s ASP 56 Cb 0.08 -2.57 0.40 0.00 -0.30 0.00 0.00 42.92 40.53 2kne s ASP 56 CO 0.75 -1.69 1.88 0.00 -0.17 0.00 0.00 175.17 175.94 2kne h ALA 57 N 9.42 1.28 -0.01 3.66 0.00 -1.85 -2.84 119.26 128.93 2kne h ALA 57 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kne h ALA 57 Cb 0.97 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2kne h ALA 57 CO 1.40 0.55 -0.10 -0.40 0.00 0.00 0.00 179.25 180.70 2kne n ASP 58 N -4.33 0.94 -1.65 0.00 5.75 -1.26 -4.93 116.55 111.06 2kne n ASP 58 Ca 0.06 -1.03 -0.19 0.00 -0.01 0.00 0.00 54.79 53.62 2kne n ASP 58 Cb 0.14 0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.19 2kne n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 59 N 1.23 1.10 0.42 6.12 0.00 -1.07 -4.86 105.19 108.13 2kne n GLY 59 Ca 0.16 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2kne n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kne n ASN 60 N -1.18 1.29 0.00 1.61 6.94 -1.26 -4.92 115.26 117.74 2kne n ASN 60 Ca -0.20 -1.52 0.00 0.00 -0.02 0.00 0.00 54.58 52.84 2kne n ASN 60 Cb 0.63 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 2kne n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kne n GLY 61 N 1.11 0.84 3.49 4.83 0.00 -1.26 -5.01 105.19 109.19 2kne n GLY 61 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2kne n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kne s THR 62 N -3.31 0.00 -0.13 2.61 -4.23 -1.26 -4.74 115.64 104.58 2kne s THR 62 Ca 0.00 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 2kne s THR 62 Cb 0.00 -2.34 -0.01 0.00 1.34 0.00 0.00 72.50 71.48 2kne s THR 62 CO 0.00 0.00 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.30 2kne s ILE 63 N -3.89 2.86 0.21 2.99 1.01 -1.07 -4.82 121.20 118.50 2kne s ILE 63 Ca 0.27 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.23 2kne s ILE 63 Cb 0.01 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.32 2kne s ILE 63 CO 0.11 0.53 0.24 0.47 0.00 0.00 0.00 174.94 176.29 2kne n ASP 64 N 3.62 1.17 -0.02 3.58 8.00 -1.26 -1.77 116.55 129.86 2kne n ASP 64 Ca -0.18 -1.64 -0.10 0.00 0.71 0.00 0.00 54.79 53.57 2kne n ASP 64 Cb 0.53 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.49 2kne n ASP 64 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2kne h PHE 65 N 0.27 0.17 0.04 1.24 3.04 -1.99 -1.91 116.94 117.79 2kne h PHE 65 Ca -0.11 0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.86 2kne h PHE 65 Cb 0.47 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.90 2kne h PHE 65 CO 0.00 0.10 -0.20 -1.35 -2.02 0.00 0.00 178.31 174.84 2kne h PRO 66 N 0.19 -0.33 0.00 6.41 0.11 -2.01 0.12 132.00 136.49 2kne h PRO 66 Ca 0.06 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2kne h PRO 66 Cb -0.01 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.18 2kne h PRO 66 CO -0.03 -0.22 0.00 0.93 -0.21 0.00 0.00 178.00 178.47 2kne h GLU 67 N -0.34 0.00 0.16 1.05 5.08 -1.94 -2.57 114.58 116.02 2kne h GLU 67 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2kne h GLU 67 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2kne h GLU 67 CO -0.16 0.00 -0.08 0.35 -1.00 0.00 0.00 179.01 178.12 2kne h PHE 68 N 0.00 -0.20 -0.55 4.33 3.04 0.04 -3.34 116.94 120.26 2kne h PHE 68 Ca 0.00 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 61.99 2kne h PHE 68 Cb 0.03 0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.56 2kne h PHE 68 CO 0.00 0.02 0.28 -0.07 -2.02 0.00 0.00 178.31 176.52 2kne h LEU 69 N -1.02 0.40 -0.80 0.59 3.38 -0.94 -2.30 115.31 114.62 2kne h LEU 69 Ca -0.02 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.14 2kne h LEU 69 Cb 0.32 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 40.87 2kne h LEU 69 CO 0.04 0.27 -0.18 0.71 0.09 0.00 0.00 178.44 179.37 2kne h THR 70 N 0.54 0.20 -0.24 0.22 1.35 -1.68 -0.17 112.91 113.14 2kne h THR 70 Ca 0.24 -0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 66.05 2kne h THR 70 Cb 0.15 0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 66.76 2kne h THR 70 CO -0.17 0.00 -0.07 0.24 -0.25 0.00 0.00 175.52 175.28 2kne h MET 71 N 0.01 0.47 -0.90 4.72 2.86 -1.56 -3.03 114.93 117.50 2kne h MET 71 Ca 0.39 -0.18 0.04 0.00 -2.06 0.00 0.00 59.70 57.89 2kne h MET 71 Cb 0.61 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 2kne h MET 71 CO -0.82 0.71 0.59 0.52 1.06 0.00 0.00 176.91 178.97 2kne h MET 72 N 0.21 1.08 -0.23 1.72 2.07 -0.62 0.58 114.93 119.74 2kne h MET 72 Ca 0.06 -0.06 -0.12 0.00 -2.07 0.00 0.00 59.70 57.51 2kne h MET 72 Cb 0.54 -0.24 -0.01 0.00 -1.87 0.00 0.00 31.60 30.01 2kne h MET 72 CO 0.03 0.71 -0.35 0.00 1.07 0.00 0.00 176.91 178.37 2kne h ALA 73 N 1.48 0.97 0.00 6.32 0.00 -1.11 -3.06 119.26 123.86 2kne h ALA 73 Ca 0.37 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kne h ALA 73 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2kne h ALA 73 CO -0.12 0.61 -0.83 0.54 0.00 0.00 0.00 179.25 179.45 2kne n ARG 74 N -4.06 0.07 -1.78 0.00 5.12 -0.88 -4.59 116.66 110.54 2kne n ARG 74 Ca -0.01 -0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.49 2kne n ARG 74 Cb 0.47 -1.52 -0.01 0.00 -1.16 0.00 0.00 32.46 30.24 2kne n ARG 74 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2kne n LYS 75 N -1.62 3.28 -0.38 5.56 3.00 0.20 -4.46 118.16 123.74 2kne n LYS 75 Ca 0.04 -2.75 0.08 0.00 -0.00 0.00 0.00 58.31 55.67 2kne n LYS 75 Cb 0.36 -3.08 0.24 0.00 0.00 0.00 0.00 35.03 32.54 2kne n LYS 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2kne n MET 76 N 4.90 3.08 -1.64 1.64 2.81 -1.26 -4.95 117.12 121.71 2kne n MET 76 Ca 0.56 -2.57 -0.47 0.00 -1.81 0.00 0.00 57.70 53.40 2kne n MET 76 Cb 0.34 -1.66 -0.04 0.00 -0.71 0.00 0.00 33.22 31.16 2kne n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2kne n LYS 77 N 0.11 1.71 -4.13 0.03 4.81 -1.26 -4.98 118.16 114.44 2kne n LYS 77 Ca 0.19 0.61 -0.22 0.00 -0.87 0.00 0.00 58.31 58.01 2kne n LYS 77 Cb 0.73 -2.27 -0.05 0.00 0.02 0.00 0.00 35.03 33.47 2kne n LYS 77 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2kne s ASP 78 N 0.46 5.41 -0.07 3.14 2.15 -1.26 -5.13 116.67 121.36 2kne s ASP 78 Ca 0.76 -0.28 -0.05 0.00 0.43 0.00 0.00 52.55 53.40 2kne s ASP 78 Cb -0.76 -1.35 0.03 0.00 -0.30 0.00 0.00 42.92 40.54 2kne s ASP 78 CO 0.46 -0.02 0.18 0.28 -0.17 0.00 0.00 175.17 175.90 2kne s THR 79 N -2.11 -0.02 -0.08 1.71 -1.32 -1.26 -5.10 115.64 107.46 2kne s THR 79 Ca 0.32 0.07 -0.29 0.00 -1.21 0.00 0.00 61.69 60.58 2kne s THR 79 Cb -0.08 -0.27 -0.07 0.00 -1.51 0.00 0.00 72.50 70.57 2kne s THR 79 CO 0.24 0.03 2.00 -0.62 -2.21 0.00 0.00 174.62 174.06 2kne s ASP 80 N 0.53 6.12 0.51 8.08 -1.08 -1.26 -4.74 116.67 124.83 2kne s ASP 80 Ca -0.04 2.28 0.00 0.00 -0.52 0.00 0.00 52.55 54.27 2kne s ASP 80 Cb -0.05 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 2kne s ASP 80 CO -0.03 -1.37 0.81 -1.20 0.52 0.00 0.00 175.17 173.90 2kne n SER 81 N 9.00 0.00 0.01 -0.34 7.64 -1.26 0.99 113.62 129.66 2kne n SER 81 Ca 0.23 0.39 -0.06 0.00 1.01 0.00 0.00 58.87 60.44 2kne n SER 81 Cb 0.43 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.77 2kne n SER 81 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2kne h GLU 82 N 0.00 0.51 -1.02 1.43 5.08 -2.01 -3.14 114.58 115.43 2kne h GLU 82 Ca 0.00 -0.24 0.26 0.00 -1.00 0.00 0.00 59.36 58.37 2kne h GLU 82 Cb 1.62 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.76 2kne h GLU 82 CO 0.00 0.81 0.63 1.49 -1.00 0.00 0.00 179.01 180.94 2kne h GLU 83 N 0.43 0.48 0.00 2.33 4.81 0.28 0.26 114.58 123.17 2kne h GLU 83 Ca 0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2kne h GLU 83 Cb 0.85 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2kne h GLU 83 CO 0.07 0.32 -0.57 1.49 -0.73 0.00 0.00 179.01 179.59 2kne h GLU 84 N 0.50 0.00 0.00 1.92 4.57 -1.74 -3.27 114.58 116.56 2kne h GLU 84 Ca 0.62 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.80 2kne h GLU 84 Cb 1.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 2kne h GLU 84 CO -0.39 0.00 0.00 -0.89 -1.18 0.00 0.00 179.01 176.55 2kne n ILE 85 N -2.52 0.00 -0.29 2.32 2.08 0.91 -1.32 119.36 120.54 2kne n ILE 85 Ca 0.02 1.21 -0.05 0.00 0.56 0.00 0.00 62.75 64.49 2kne n ILE 85 Cb 0.49 -2.18 0.07 0.00 -0.75 0.00 0.00 39.64 37.27 2kne n ILE 85 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2kne h ARG 86 N 0.00 1.14 -0.75 0.38 3.08 -1.76 -3.00 114.38 113.48 2kne h ARG 86 Ca 0.00 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 2kne h ARG 86 Cb 0.00 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.80 2kne h ARG 86 CO 0.00 0.88 0.44 0.93 -1.07 0.00 0.00 179.97 181.15 2kne h GLU 87 N 1.13 1.02 0.00 0.04 5.08 -1.67 -1.47 114.58 118.71 2kne h GLU 87 Ca 0.28 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2kne h GLU 87 Cb 0.10 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2kne h GLU 87 CO -0.04 0.73 0.00 0.00 -1.00 0.00 0.00 179.01 178.70 2kne h ALA 88 N 1.23 1.00 -0.00 3.43 0.00 -1.05 -2.27 119.26 121.60 2kne h ALA 88 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2kne h ALA 88 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kne h ALA 88 CO -0.05 -0.00 -0.09 0.35 0.00 0.00 0.00 179.25 179.46 2kne h PHE 89 N 0.00 0.10 -0.81 0.00 3.57 -1.27 -3.08 116.94 115.44 2kne h PHE 89 Ca 0.00 -0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.54 2kne h PHE 89 Cb 0.00 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.66 2kne h PHE 89 CO 0.00 0.83 0.47 -0.09 -2.23 0.00 0.00 178.31 177.29 2kne h ARG 90 N -0.66 0.77 -0.39 1.11 2.43 -1.37 0.39 114.38 116.66 2kne h ARG 90 Ca -0.01 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 2kne h ARG 90 Cb 0.86 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 2kne h ARG 90 CO 0.02 0.51 0.09 0.28 -1.51 0.00 0.00 179.97 179.36 2kne h VAL 91 N 0.79 1.23 -0.35 0.20 2.07 -1.64 -3.04 116.25 115.51 2kne h VAL 91 Ca 0.39 -0.80 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 2kne h VAL 91 Cb 0.33 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2kne h VAL 91 CO -0.23 0.28 -0.35 -0.26 0.02 0.00 0.00 177.57 177.02 2kne h PHE 92 N 0.49 0.95 -1.69 1.57 -1.00 -1.26 -3.31 116.94 112.68 2kne h PHE 92 Ca 0.12 -0.26 -0.71 0.00 2.81 0.00 0.00 57.97 59.93 2kne h PHE 92 Cb 0.32 -0.21 -0.14 0.00 3.61 0.00 0.00 35.95 39.53 2kne h PHE 92 CO 0.02 1.03 1.62 0.34 -1.61 0.00 0.00 178.31 179.71 2kne s ASP 93 N -6.82 6.94 0.12 2.17 -1.08 0.13 -4.62 116.67 113.51 2kne s ASP 93 Ca -0.10 -2.68 -0.20 0.00 -0.52 0.00 0.00 52.55 49.06 2kne s ASP 93 Cb 0.12 -2.47 -0.05 0.00 -1.46 0.00 0.00 42.92 39.06 2kne s ASP 93 CO 0.86 -0.95 1.74 0.50 0.52 0.00 0.00 175.17 177.84 2kne h LYS 94 N 7.53 0.12 -0.24 4.34 3.64 -1.69 -2.62 116.57 127.65 2kne h LYS 94 Ca 0.35 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2kne h LYS 94 Cb 0.89 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2kne h LYS 94 CO 1.32 0.08 0.00 -0.40 -2.27 0.00 0.00 179.45 178.18 2kne n ASP 95 N -5.07 1.95 -3.85 4.20 5.68 -1.26 -4.93 116.55 113.27 2kne n ASP 95 Ca -0.03 -1.80 -0.25 0.00 -0.50 0.00 0.00 54.79 52.21 2kne n ASP 95 Cb 0.07 -0.15 0.01 0.00 -1.14 0.00 0.00 41.12 39.91 2kne n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kne n GLY 96 N 1.17 -0.29 0.76 6.12 0.00 -0.99 -4.85 105.19 107.11 2kne n GLY 96 Ca 0.16 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.41 2kne n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kne n ASN 97 N -2.99 2.24 0.00 1.61 6.94 -1.26 -4.90 115.26 116.91 2kne n ASN 97 Ca -0.25 -1.88 0.00 0.00 -0.02 0.00 0.00 54.58 52.44 2kne n ASN 97 Cb 0.65 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 2kne n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kne n GLY 98 N 1.22 0.85 3.05 4.83 0.00 -1.26 -5.02 105.19 108.86 2kne n GLY 98 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2kne n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kne s TYR 99 N -3.32 0.31 -0.33 1.61 1.51 -1.26 -4.46 117.35 111.41 2kne s TYR 99 Ca 0.00 -0.66 -0.17 0.00 -1.01 0.00 0.00 57.07 55.23 2kne s TYR 99 Cb 0.00 -0.23 -0.01 0.00 -0.11 0.00 0.00 41.96 41.61 2kne s TYR 99 CO 0.00 -0.29 0.44 0.42 -1.11 0.00 0.00 175.55 175.01 2kne s ILE 100 N -2.44 5.09 0.29 2.71 1.01 -0.50 -4.67 121.20 122.68 2kne s ILE 100 Ca -0.07 0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.79 2kne s ILE 100 Cb -0.03 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 2kne s ILE 100 CO -0.04 -0.12 0.59 -0.94 0.00 0.00 0.00 174.94 174.43 2kne s SER 101 N 1.73 6.52 0.16 3.58 1.04 -1.26 -2.60 113.70 122.86 2kne s SER 101 Ca 0.16 0.87 -0.16 0.00 0.48 0.00 0.00 55.95 57.30 2kne s SER 101 Cb -0.16 -2.21 0.06 0.00 0.10 0.00 0.00 66.02 63.81 2kne s SER 101 CO 0.12 -0.19 1.76 0.00 0.98 0.00 0.00 173.24 175.91 2kne h ALA 102 N 1.90 0.44 -0.75 5.32 0.00 -1.97 -1.43 119.26 122.77 2kne h ALA 102 Ca -0.47 0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.58 2kne h ALA 102 Cb 1.18 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 2kne h ALA 102 CO 0.67 -0.23 0.36 0.00 0.00 0.00 0.00 179.25 180.04 2kne h ALA 103 N 1.22 1.06 -0.60 0.00 0.00 -2.00 -0.15 119.26 118.79 2kne h ALA 103 Ca 0.16 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2kne h ALA 103 Cb 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2kne h ALA 103 CO -0.14 -0.09 0.23 0.93 0.00 0.00 0.00 179.25 180.18 2kne h GLU 104 N 0.57 0.90 -0.36 0.00 5.08 -1.72 -3.03 114.58 116.02 2kne h GLU 104 Ca 0.39 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2kne h GLU 104 Cb 0.48 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2kne h GLU 104 CO -0.32 0.77 0.12 1.25 -1.00 0.00 0.00 179.01 179.82 2kne h LEU 105 N 0.83 0.52 -0.95 1.33 6.46 -0.17 -3.07 115.31 120.26 2kne h LEU 105 Ca 0.20 -0.20 0.28 0.00 -0.12 0.00 0.00 57.88 58.04 2kne h LEU 105 Cb 0.21 -0.14 -0.17 0.00 -0.73 0.00 0.00 40.66 39.84 2kne h LEU 105 CO -0.02 0.58 0.16 -0.09 -0.62 0.00 0.00 178.44 178.46 2kne h ARG 106 N 0.43 0.07 -0.02 1.25 2.43 -0.95 1.47 114.38 119.06 2kne h ARG 106 Ca 0.12 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2kne h ARG 106 Cb 0.25 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2kne h ARG 106 CO -0.00 0.04 0.02 1.25 -1.51 0.00 0.00 179.97 179.77 2kne h HIS 107 N 0.07 0.00 -0.74 2.20 2.76 -1.59 -2.41 115.15 115.44 2kne h HIS 107 Ca 0.62 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.83 2kne h HIS 107 Cb 1.33 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.24 2kne h HIS 107 CO -0.36 0.00 0.45 0.28 -1.30 0.00 0.00 177.93 177.01 2kne h VAL 108 N 0.00 1.06 -0.49 5.26 2.07 0.20 -2.71 116.25 121.64 2kne h VAL 108 Ca 0.01 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.33 2kne h VAL 108 Cb 0.04 0.12 -0.09 0.00 -1.52 0.00 0.00 31.29 29.85 2kne h VAL 108 CO -0.00 0.16 -0.05 0.24 0.02 0.00 0.00 177.57 177.93 2kne h MET 109 N 0.86 0.06 -0.98 1.57 2.07 -1.49 -1.46 114.93 115.57 2kne h MET 109 Ca 0.31 -0.00 0.17 0.00 -2.07 0.00 0.00 59.70 58.10 2kne h MET 109 Cb 0.08 -0.01 -0.09 0.00 -1.87 0.00 0.00 31.60 29.71 2kne h MET 109 CO -0.14 0.04 0.61 1.79 1.07 0.00 0.00 176.91 180.28 2kne h THR 110 N 0.06 0.78 -0.59 2.22 1.35 -1.62 0.36 112.91 115.47 2kne h THR 110 Ca 0.24 -0.26 -0.09 0.00 -0.55 0.00 0.00 66.41 65.75 2kne h THR 110 Cb 0.37 -0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 66.71 2kne h THR 110 CO -0.45 0.14 0.02 0.78 -0.25 0.00 0.00 175.52 175.76 2kne h ASN 111 N 0.77 0.98 1.04 5.36 -0.26 -1.26 -2.82 115.58 119.38 2kne h ASN 111 Ca 0.52 -0.26 0.00 0.00 -0.56 0.00 0.00 56.30 56.00 2kne h ASN 111 Cb 0.80 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 2kne h ASN 111 CO -0.30 1.02 -0.26 0.18 -1.06 0.00 0.00 177.43 177.02 2kne n LEU 112 N -4.19 0.54 -1.34 1.61 4.77 0.30 -4.96 117.00 113.74 2kne n LEU 112 Ca 0.03 0.37 -0.07 0.00 -0.03 0.00 0.00 56.01 56.31 2kne n LEU 112 Cb 0.33 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 2kne n LEU 112 CO 0.43 -0.06 0.05 0.61 -1.33 0.00 0.00 177.39 177.10 2kne n GLY 113 N 1.39 0.42 0.11 -0.72 0.00 1.00 -4.96 105.19 102.43 2kne n GLY 113 Ca 0.05 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.71 2kne n GLY 113 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kne h GLU 114 N -0.70 0.00 -6.62 1.61 4.57 -1.76 -3.48 114.58 108.20 2kne h GLU 114 Ca -0.17 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.48 2kne h GLU 114 Cb 1.12 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.72 2kne h GLU 114 CO 0.18 0.15 -0.97 1.63 -1.18 0.00 0.00 179.01 178.81 2kne n LYS 115 N -2.80 -0.96 -2.58 1.92 5.02 -1.26 -4.90 118.16 112.59 2kne n LYS 115 Ca -0.04 0.26 -0.34 0.00 -2.02 0.00 0.00 58.31 56.17 2kne n LYS 115 Cb 0.69 -3.42 -0.04 0.00 -0.02 0.00 0.00 35.03 32.23 2kne n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2kne s LEU 116 N -7.02 3.88 0.82 -0.35 2.34 -1.26 -5.07 118.68 112.02 2kne s LEU 116 Ca 0.41 1.91 -0.10 0.00 0.06 0.00 0.00 54.13 56.41 2kne s LEU 116 Cb -0.19 -4.53 0.13 0.00 -0.56 0.00 0.00 46.19 41.04 2kne s LEU 116 CO 0.92 -0.71 1.15 0.42 -1.06 0.00 0.00 176.35 177.07 2kne s THR 117 N -1.98 2.11 0.21 5.48 -4.23 -1.26 -4.92 115.64 111.05 2kne s THR 117 Ca 0.66 -0.20 -0.09 0.00 -1.18 0.00 0.00 61.69 60.88 2kne s THR 117 Cb -0.16 -2.91 0.15 0.00 1.34 0.00 0.00 72.50 70.93 2kne s THR 117 CO 0.19 0.00 1.77 -0.78 -0.54 0.00 0.00 174.62 175.26 2kne h ASP 118 N -1.04 0.38 -0.89 3.99 1.82 -2.00 -1.89 116.42 116.80 2kne h ASP 118 Ca -0.43 0.06 0.10 0.00 -0.39 0.00 0.00 57.03 56.37 2kne h ASP 118 Cb 1.28 -0.00 -0.07 0.00 0.68 0.00 0.00 39.33 41.21 2kne h ASP 118 CO 0.48 0.23 0.53 -0.08 -1.61 0.00 0.00 179.24 178.79 2kne h GLU 119 N 0.54 0.86 0.00 0.28 4.81 -2.00 -1.31 114.58 117.75 2kne h GLU 119 Ca 0.32 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 2kne h GLU 119 Cb 0.33 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2kne h GLU 119 CO -0.26 0.57 -0.44 0.93 -0.73 0.00 0.00 179.01 179.08 2kne h GLU 120 N 0.88 0.00 -0.48 1.92 5.08 -1.72 -0.77 114.58 119.51 2kne h GLU 120 Ca 0.42 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.75 2kne h GLU 120 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2kne h GLU 120 CO -0.24 0.44 0.15 0.28 -1.00 0.00 0.00 179.01 178.64 2kne h VAL 121 N 0.00 1.23 -0.05 3.13 2.07 -0.89 -2.18 116.25 119.56 2kne h VAL 121 Ca -0.00 -0.76 -0.21 0.00 0.82 0.00 0.00 66.70 66.55 2kne h VAL 121 Cb 0.85 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2kne h VAL 121 CO 0.06 0.27 -0.84 0.44 0.02 0.00 0.00 177.57 177.52 2kne h ASP 122 N 0.64 0.58 0.42 0.57 3.32 -1.36 -3.29 116.42 117.29 2kne h ASP 122 Ca 0.15 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 2kne h ASP 122 Cb 0.27 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2kne h ASP 122 CO -0.00 1.19 -0.20 -0.08 -1.72 0.00 0.00 179.24 178.43 2kne h GLU 123 N 0.29 -0.54 -0.31 3.56 4.81 -0.93 -2.48 114.58 118.98 2kne h GLU 123 Ca -0.06 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 2kne h GLU 123 Cb 1.45 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.88 2kne h GLU 123 CO 0.15 -0.36 -0.20 0.52 -0.73 0.00 0.00 179.01 178.39 2kne h MET 124 N -0.56 -0.16 -0.80 1.92 2.86 -1.52 -1.26 114.93 115.41 2kne h MET 124 Ca -0.06 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 2kne h MET 124 Cb 0.43 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.06 2kne h MET 124 CO 0.09 -0.11 0.47 0.82 1.06 0.00 0.00 176.91 179.24 2kne h ILE 125 N -0.17 0.97 -0.70 -1.22 1.08 -1.62 -1.39 117.51 114.47 2kne h ILE 125 Ca 0.16 -0.28 0.01 0.00 -0.39 0.00 0.00 64.86 64.36 2kne h ILE 125 Cb 0.42 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.20 2kne h ILE 125 CO -0.41 0.15 0.47 0.03 -0.69 0.00 0.00 178.15 177.69 2kne h ARG 126 N 0.82 0.93 -0.94 2.37 3.08 -0.78 -0.31 114.38 119.56 2kne h ARG 126 Ca 0.37 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.42 2kne h ARG 126 Cb 0.26 -0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 2kne h ARG 126 CO -0.21 0.61 0.60 0.93 -1.07 0.00 0.00 179.97 180.84 2kne h GLU 127 N 0.95 1.08 0.00 0.04 4.39 -0.52 -2.62 114.58 117.91 2kne h GLU 127 Ca 0.26 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2kne h GLU 127 Cb -0.11 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.30 2kne h GLU 127 CO -0.06 0.71 -1.03 0.00 -1.16 0.00 0.00 179.01 177.48 2kne n ALA 128 N -2.36 3.31 -2.45 3.43 0.00 -1.00 -4.74 120.51 116.70 2kne n ALA 128 Ca 0.14 -0.39 -0.39 0.00 0.00 0.00 0.00 53.44 52.80 2kne n ALA 128 Cb 0.16 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 2kne n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kne s ASP 129 N -4.03 6.35 0.00 0.00 2.15 -0.16 -4.74 116.67 116.24 2kne s ASP 129 Ca 0.03 -2.00 0.16 0.00 0.43 0.00 0.00 52.55 51.18 2kne s ASP 129 Cb 0.14 -2.58 0.76 0.00 -0.30 0.00 0.00 42.92 40.95 2kne s ASP 129 CO 0.80 -1.67 1.49 2.30 -0.17 0.00 0.00 175.17 177.92 2kne n ILE 130 N 6.84 0.69 -3.84 4.11 -5.35 -1.26 -4.64 119.36 115.91 2kne n ILE 130 Ca 0.44 0.17 -0.12 0.00 -0.27 0.00 0.00 62.75 62.98 2kne n ILE 130 Cb 0.47 -0.90 -0.12 0.00 -1.74 0.00 0.00 39.64 37.36 2kne n ILE 130 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2kne s ASP 131 N -2.76 -0.10 -0.16 7.28 -4.77 -1.26 -5.06 116.67 109.85 2kne s ASP 131 Ca 0.12 0.14 -0.04 0.00 -3.30 0.00 0.00 52.55 49.47 2kne s ASP 131 Cb 0.11 0.28 -0.16 0.00 -1.09 0.00 0.00 42.92 42.06 2kne s ASP 131 CO 0.27 -0.16 2.52 0.61 0.70 0.00 0.00 175.17 179.10 2kne n GLY 132 N 2.48 2.47 0.01 2.12 0.00 -1.26 -4.17 105.19 106.83 2kne n GLY 132 Ca -0.16 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.16 2kne n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kne n ASP 133 N 2.88 0.55 0.00 1.61 5.75 -1.26 -4.95 116.55 121.13 2kne n ASP 133 Ca 0.32 -0.27 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 2kne n ASP 133 Cb 0.54 0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.95 2kne n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 134 N 1.48 0.90 3.16 6.12 0.00 -1.26 -5.00 105.19 110.60 2kne n GLY 134 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 2kne n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kne s GLN 135 N -0.16 0.80 -0.31 1.61 -0.21 -1.26 -4.81 119.66 115.32 2kne s GLN 135 Ca 0.00 -1.05 -0.12 0.00 0.02 0.00 0.00 55.36 54.21 2kne s GLN 135 Cb 0.00 -0.59 -0.03 0.00 1.00 0.00 0.00 33.01 33.39 2kne s GLN 135 CO 0.00 0.11 0.24 0.08 -2.12 0.00 0.00 175.29 173.59 2kne s VAL 136 N -1.98 5.28 0.79 1.09 1.01 -1.07 -4.92 120.40 120.60 2kne s VAL 136 Ca 0.01 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 2kne s VAL 136 Cb -0.06 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.80 2kne s VAL 136 CO 0.01 0.12 1.12 0.21 0.00 0.00 0.00 175.10 176.56 2kne s ASN 137 N 1.74 4.27 0.25 3.32 2.47 -1.26 -1.41 114.94 124.31 2kne s ASN 137 Ca 0.08 0.35 -0.06 0.00 0.42 0.00 0.00 52.86 53.65 2kne s ASN 137 Cb -0.17 -0.78 0.27 0.00 -1.45 0.00 0.00 41.25 39.12 2kne s ASN 137 CO 0.11 -1.97 1.89 0.22 -3.72 0.00 0.00 177.10 173.62 2kne h TYR 138 N -0.93 1.20 -0.48 0.43 3.20 -1.99 -1.66 116.97 116.74 2kne h TYR 138 Ca -0.44 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.40 2kne h TYR 138 Cb 1.29 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 2kne h TYR 138 CO -0.12 0.81 0.24 1.49 -1.64 0.00 0.00 178.16 178.94 2kne h GLU 139 N 1.24 0.68 -0.59 1.82 4.81 -1.97 -1.68 114.58 118.89 2kne h GLU 139 Ca 0.32 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 2kne h GLU 139 Cb -0.02 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 2kne h GLU 139 CO -0.06 0.57 0.14 0.93 -0.73 0.00 0.00 179.01 179.87 2kne h GLU 140 N 0.63 0.92 -0.48 1.92 5.08 -1.79 -1.77 114.58 119.08 2kne h GLU 140 Ca 0.16 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2kne h GLU 140 Cb 0.11 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2kne h GLU 140 CO -0.02 0.82 0.28 0.35 -1.00 0.00 0.00 179.01 179.44 2kne h PHE 141 N 0.88 0.64 -0.18 4.33 3.57 -0.92 -2.66 116.94 122.60 2kne h PHE 141 Ca 0.19 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2kne h PHE 141 Cb 0.32 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2kne h PHE 141 CO 0.02 0.46 0.03 0.28 -2.23 0.00 0.00 178.31 176.87 2kne h VAL 142 N 0.64 1.22 -0.86 1.41 2.07 -1.04 -1.63 116.25 118.06 2kne h VAL 142 Ca 0.17 -0.71 0.17 0.00 0.82 0.00 0.00 66.70 67.15 2kne h VAL 142 Cb 0.02 1.35 -0.11 0.00 -1.52 0.00 0.00 31.29 31.04 2kne h VAL 142 CO -0.03 0.22 0.41 -0.61 0.02 0.00 0.00 177.57 177.58 2kne h GLN 143 N 0.08 0.51 -0.08 1.57 4.15 -1.20 0.56 115.11 120.71 2kne h GLN 143 Ca 0.05 -0.03 -0.24 0.00 0.77 0.00 0.00 58.65 59.20 2kne h GLN 143 Cb 0.30 -0.12 0.02 0.00 0.21 0.00 0.00 27.48 27.89 2kne h GLN 143 CO 0.00 0.34 -0.90 0.52 -1.93 0.00 0.00 178.83 176.86 2kne h MET 144 N 0.53 0.75 0.04 1.69 2.86 -1.29 -3.10 114.93 116.41 2kne h MET 144 Ca 0.49 -0.70 -0.16 0.00 -2.06 0.00 0.00 59.70 57.28 2kne h MET 144 Cb 0.80 0.17 0.01 0.00 0.06 0.00 0.00 31.60 32.65 2kne h MET 144 CO -0.43 1.29 -0.65 0.52 1.06 0.00 0.00 176.91 178.71 2kne h MET 145 N 0.46 0.36 -1.10 1.72 2.86 -0.63 -3.28 114.93 115.32 2kne h MET 145 Ca -0.09 -0.45 -0.24 0.00 -2.06 0.00 0.00 59.70 56.86 2kne h MET 145 Cb 1.54 0.14 -0.13 0.00 0.06 0.00 0.00 31.60 33.21 2kne h MET 145 CO 0.18 1.14 0.31 2.41 1.06 0.00 0.00 176.91 182.00 2kne n THR 146 N -4.21 2.10 -0.30 2.22 -1.04 0.19 -4.57 114.28 108.67 2kne n THR 146 Ca -0.11 -0.97 0.12 0.00 -2.04 0.00 0.00 64.05 61.04 2kne n THR 146 Cb 0.71 -0.87 0.26 0.00 -1.82 0.00 0.00 70.33 68.61 2kne n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kne h ALA 147 N 1.54 1.16 -0.00 2.41 0.00 -1.60 -3.47 119.26 119.30 2kne h ALA 147 Ca 0.28 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2kne h ALA 147 Cb 1.66 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2kne h ALA 147 CO 0.52 -0.48 0.00 1.17 0.00 0.00 0.00 179.25 180.46