#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kne h ASP 2 N 0.00 1.07 -1.59 0.00 3.32 -2.02 -3.43 116.42 113.77 2kne h ASP 2 Ca 0.00 -0.18 -0.48 0.00 0.02 0.00 0.00 57.03 56.39 2kne h ASP 2 Cb 0.00 -0.28 0.07 0.00 0.22 0.00 0.00 39.33 39.34 2kne h ASP 2 CO 0.00 0.96 0.07 -1.10 -1.72 0.00 0.00 179.24 177.44 2kne s GLN 3 N -5.54 1.70 0.00 3.56 -0.21 -1.26 -4.97 119.66 112.95 2kne s GLN 3 Ca -0.12 -1.37 0.00 0.00 0.02 0.00 0.00 55.36 53.88 2kne s GLN 3 Cb 0.15 -2.41 0.00 0.00 1.00 0.00 0.00 33.01 31.76 2kne s GLN 3 CO 0.84 -1.41 0.00 -0.11 -2.12 0.00 0.00 175.29 172.49 2kne n LEU 4 N -2.74 0.00 -4.76 2.90 7.94 -1.26 -5.14 117.00 113.94 2kne n LEU 4 Ca 0.17 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.67 2kne n LEU 4 Cb 0.61 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.51 2kne n LEU 4 CO 0.41 0.00 0.70 0.42 -1.11 0.00 0.00 177.39 177.81 2kne s THR 5 N 0.00 3.87 0.14 1.96 -4.23 -1.26 -4.95 115.64 111.17 2kne s THR 5 Ca 0.00 1.80 -0.27 0.00 -1.18 0.00 0.00 61.69 62.04 2kne s THR 5 Cb 0.00 -4.12 -0.03 0.00 1.34 0.00 0.00 72.50 69.70 2kne s THR 5 CO 0.00 0.37 1.60 -0.08 -0.54 0.00 0.00 174.62 175.97 2kne h GLU 6 N 3.79 -0.41 -0.88 3.99 4.81 -2.01 -1.41 114.58 122.47 2kne h GLU 6 Ca -0.46 0.03 0.34 0.00 -0.13 0.00 0.00 59.36 59.14 2kne h GLU 6 Cb 1.20 0.09 -0.13 0.00 0.63 0.00 0.00 28.75 30.55 2kne h GLU 6 CO 0.67 -0.27 0.52 -1.91 -0.73 0.00 0.00 179.01 177.28 2kne n GLU 7 N -5.42 -0.04 -0.12 1.92 4.07 -1.26 0.28 120.64 120.07 2kne n GLU 7 Ca -0.03 1.01 -0.10 0.00 -0.06 0.00 0.00 57.16 57.99 2kne n GLU 7 Cb 0.34 -1.89 0.04 0.00 -0.06 0.00 0.00 31.44 29.87 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 0.88 -0.54 5.31 4.20 -1.64 -0.80 115.11 122.51 2kne h GLN 8 Ca 0.66 -0.38 0.03 0.00 0.06 0.00 0.00 58.65 59.01 2kne h GLN 8 Cb 1.90 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.61 2kne h GLN 8 CO -0.50 1.03 0.33 0.82 -0.67 0.00 0.00 178.83 179.84 2kne h ILE 9 N 0.76 1.06 -0.26 2.54 2.04 0.41 -0.38 117.51 123.68 2kne h ILE 9 Ca 0.10 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.79 2kne h ILE 9 Cb 0.80 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 2kne h ILE 9 CO 0.07 0.12 -0.09 0.00 0.00 0.00 0.00 178.15 178.25 2kne h ALA 10 N 1.24 0.14 -0.14 1.87 0.00 -0.85 0.97 119.26 122.48 2kne h ALA 10 Ca 0.22 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2kne h ALA 10 Cb 0.02 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2kne h ALA 10 CO -0.10 -0.49 0.09 1.49 0.00 0.00 0.00 179.25 180.24 2kne h GLU 11 N -0.04 0.19 -0.85 0.00 4.22 -0.53 -2.82 114.58 114.75 2kne h GLU 11 Ca 0.13 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.54 2kne h GLU 11 Cb 0.23 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2kne h GLU 11 CO -0.29 0.14 0.45 0.74 -2.18 0.00 0.00 179.01 177.87 2kne h PHE 12 N 0.19 1.17 -0.01 0.92 0.04 -0.81 -2.97 116.94 115.47 2kne h PHE 12 Ca 0.05 -0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.82 2kne h PHE 12 Cb -0.01 -0.37 -0.05 0.00 2.20 0.00 0.00 35.95 37.71 2kne h PHE 12 CO -0.06 0.82 -0.36 -0.22 -0.60 0.00 0.00 178.31 177.88 2kne h LYS 13 N 1.19 -0.50 -0.86 1.51 3.64 -0.56 -1.04 116.57 119.96 2kne h LYS 13 Ca 0.30 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.89 2kne h LYS 13 Cb 0.05 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 31.87 2kne h LYS 13 CO -0.05 -0.33 0.40 0.93 -2.27 0.00 0.00 179.45 178.14 2kne h GLU 14 N -0.52 0.50 -0.86 1.90 5.08 -1.42 0.35 114.58 119.61 2kne h GLU 14 Ca 0.06 -0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.52 2kne h GLU 14 Cb 0.60 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 2kne h GLU 14 CO -0.29 0.33 0.56 0.00 -1.00 0.00 0.00 179.01 178.60 2kne h ALA 15 N 1.62 1.83 -0.94 3.43 0.00 -1.11 -2.35 119.26 121.74 2kne h ALA 15 Ca 0.50 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.47 2kne h ALA 15 Cb 0.81 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2kne h ALA 15 CO -0.43 -0.05 0.60 0.74 0.00 0.00 0.00 179.25 180.11 2kne h PHE 16 N 0.68 1.12 0.00 0.00 -1.00 -0.47 -1.24 116.94 116.04 2kne h PHE 16 Ca 0.42 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.23 2kne h PHE 16 Cb 0.66 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 39.85 2kne h PHE 16 CO -0.00 0.59 0.00 1.03 -1.61 0.00 0.00 178.31 178.32 2kne h SER 17 N 1.11 0.00 -0.63 2.17 0.87 -1.49 -2.23 113.55 113.35 2kne h SER 17 Ca 0.40 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.90 2kne h SER 17 Cb 0.13 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 2kne h SER 17 CO -0.16 0.00 0.14 -0.07 -0.53 0.00 0.00 176.83 176.21 2kne h LEU 18 N 0.00 0.97 0.00 2.23 -0.00 -1.30 -3.28 115.31 113.92 2kne h LEU 18 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 2kne h LEU 18 Cb 0.15 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.55 2kne h LEU 18 CO 0.00 0.95 -1.20 2.22 -0.00 0.00 0.00 178.44 180.41 2kne n PHE 19 N -4.31 0.00 -2.23 1.13 1.16 -1.11 -4.86 117.46 107.24 2kne n PHE 19 Ca 0.04 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.28 2kne n PHE 19 Cb 0.25 -0.18 -0.04 0.00 -1.61 0.00 0.00 39.48 37.91 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 -3.08 5.62 0.00 5.98 1.01 -0.86 -4.82 116.67 120.53 2kne s ASP 20 Ca -0.00 -0.66 -0.25 0.00 0.71 0.00 0.00 52.55 52.35 2kne s ASP 20 Cb 0.10 -2.56 -0.19 0.00 1.01 0.00 0.00 42.92 41.29 2kne s ASP 20 CO 0.62 -2.26 1.36 0.50 0.21 0.00 0.00 175.17 175.60 2kne h LYS 21 N 11.47 0.02 -0.59 8.23 3.64 -1.89 -3.27 116.57 134.18 2kne h LYS 21 Ca 0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2kne h LYS 21 Cb 1.04 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2kne h LYS 21 CO 1.28 0.40 0.00 -0.40 -2.27 0.00 0.00 179.45 178.46 2kne n ASP 22 N -4.89 4.76 -3.79 4.20 5.75 -1.26 -4.96 116.55 116.36 2kne n ASP 22 Ca -0.08 -2.55 -0.27 0.00 -0.01 0.00 0.00 54.79 51.88 2kne n ASP 22 Cb 0.21 -0.57 -0.07 0.00 -1.03 0.00 0.00 41.12 39.66 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 0.88 -0.18 0.14 6.12 0.00 -1.24 -4.74 105.19 106.17 2kne n GLY 23 Ca 0.25 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.84 0.56 0.00 1.61 5.68 -1.26 -4.90 116.55 116.41 2kne n ASP 24 Ca -0.09 -0.65 0.00 0.00 -0.50 0.00 0.00 54.79 53.55 2kne n ASP 24 Cb 0.43 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 2kne n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kne n GLY 25 N 1.28 0.92 3.05 6.12 0.00 -1.26 -5.03 105.19 110.27 2kne n GLY 25 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.89 0.37 -0.19 2.61 -4.23 -1.26 -4.76 115.64 105.28 2kne s THR 26 Ca 0.00 -1.24 -0.19 0.00 -1.18 0.00 0.00 61.69 59.09 2kne s THR 26 Cb 0.00 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 73.05 2kne s THR 26 CO 0.00 -0.57 0.53 -0.63 -0.54 0.00 0.00 174.62 173.40 2kne s ILE 27 N -2.06 5.10 0.34 2.99 1.09 -0.92 -4.93 121.20 122.81 2kne s ILE 27 Ca -0.07 0.97 0.09 0.00 -1.10 0.00 0.00 60.65 60.54 2kne s ILE 27 Cb -0.05 -3.85 -0.05 0.00 -1.06 0.00 0.00 42.46 37.45 2kne s ILE 27 CO -0.02 0.18 0.09 0.42 -0.10 0.00 0.00 174.94 175.51 2kne s THR 28 N 1.60 2.89 0.39 2.92 -4.23 -1.26 -2.74 115.64 115.21 2kne s THR 28 Ca 0.25 -1.80 0.06 0.00 -1.18 0.00 0.00 61.69 59.02 2kne s THR 28 Cb -0.15 -2.91 0.27 0.00 1.34 0.00 0.00 72.50 71.04 2kne s THR 28 CO 0.10 -0.19 2.04 0.71 -0.54 0.00 0.00 174.62 176.74 2kne h THR 29 N 1.65 1.11 0.76 3.99 1.35 -1.92 -1.83 112.91 118.01 2kne h THR 29 Ca -0.43 -0.22 -0.04 0.00 -0.55 0.00 0.00 66.41 65.17 2kne h THR 29 Cb 1.25 0.42 0.01 0.00 -1.73 0.00 0.00 68.15 68.10 2kne h THR 29 CO 0.64 0.12 -0.36 0.11 -0.25 0.00 0.00 175.52 175.78 2kne h LYS 30 N 0.63 -0.98 -0.14 4.72 1.57 -1.98 -2.44 116.57 117.96 2kne h LYS 30 Ca 0.18 0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2kne h LYS 30 Cb -0.03 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2kne h LYS 30 CO -0.04 -0.65 0.07 1.05 -0.57 0.00 0.00 179.45 179.31 2kne h GLU 31 N -1.12 0.19 0.55 3.15 4.11 -1.90 -2.06 114.58 117.50 2kne h GLU 31 Ca -0.10 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.29 2kne h GLU 31 Cb 0.78 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.99 2kne h GLU 31 CO 0.17 0.14 -0.26 1.25 0.07 0.00 0.00 179.01 180.38 2kne h LEU 32 N 0.19 -0.62 -1.07 3.06 5.85 -1.26 -2.88 115.31 118.59 2kne h LEU 32 Ca 0.05 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2kne h LEU 32 Cb 0.01 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 2kne h LEU 32 CO -0.01 -0.43 0.63 1.23 -0.34 0.00 0.00 178.44 179.52 2kne h GLY 33 N -0.76 1.40 0.78 3.75 0.00 -1.07 -2.57 103.07 104.59 2kne h GLY 33 Ca -0.08 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2kne h GLY 33 CO 0.12 0.38 -0.21 -0.84 0.00 0.00 0.00 176.54 176.00 2kne h THR 34 N 1.18 0.54 -0.39 4.70 2.02 -1.27 -1.01 112.91 118.69 2kne h THR 34 Ca 0.39 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.60 2kne h THR 34 Cb 0.06 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2kne h THR 34 CO -0.13 0.00 0.19 0.58 0.37 0.00 0.00 175.52 176.53 2kne h VAL 35 N -0.47 0.97 -0.93 3.16 2.07 -1.27 -2.11 116.25 117.67 2kne h VAL 35 Ca -0.01 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.40 2kne h VAL 35 Cb 0.43 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2kne h VAL 35 CO -0.03 0.07 0.61 -0.03 0.02 0.00 0.00 177.57 178.20 2kne h MET 36 N 0.38 1.17 -0.99 1.57 -1.53 -1.32 -1.39 114.93 112.83 2kne h MET 36 Ca 0.17 -0.07 0.18 0.00 -3.44 0.00 0.00 59.70 56.53 2kne h MET 36 Cb 0.08 -0.26 -0.10 0.00 -0.55 0.00 0.00 31.60 30.77 2kne h MET 36 CO -0.12 0.78 0.61 -0.09 0.14 0.00 0.00 176.91 178.23 2kne h ARG 37 N 1.21 0.74 0.00 0.39 2.43 -0.52 0.92 114.38 119.55 2kne h ARG 37 Ca 0.36 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2kne h ARG 37 Cb -0.06 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.32 2kne h ARG 37 CO -0.10 0.49 -0.02 1.03 -1.51 0.00 0.00 179.97 179.86 2kne h SER 38 N 0.77 0.00 0.15 -3.80 0.87 -0.88 0.43 113.55 111.08 2kne h SER 38 Ca 0.54 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 2kne h SER 38 Cb 0.84 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2kne h SER 38 CO -0.32 0.02 0.00 -0.11 -0.53 0.00 0.00 176.83 175.89 2kne n LEU 39 N -3.25 0.00 0.00 2.23 0.00 0.32 -4.83 117.00 111.46 2kne n LEU 39 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 56.01 56.10 2kne n LEU 39 Cb 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 43.42 43.47 2kne n LEU 39 CO 0.24 -0.04 0.00 0.61 0.00 0.00 0.00 177.39 178.21 2kne n GLY 40 N 0.38 0.62 3.79 -3.96 0.00 0.14 -5.06 105.19 101.10 2kne n GLY 40 Ca 0.14 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.80 2.85 -0.68 1.61 -0.21 -1.23 -5.06 119.66 116.13 2kne s GLN 41 Ca 0.00 -0.96 0.04 0.00 0.02 0.00 0.00 55.36 54.46 2kne s GLN 41 Cb 0.00 -2.58 0.31 0.00 1.00 0.00 0.00 33.01 31.74 2kne s GLN 41 CO 0.00 0.46 1.04 -1.71 -2.12 0.00 0.00 175.29 172.95 2kne n ASN 42 N -0.57 4.78 -4.76 5.90 5.15 -1.26 -4.39 115.26 120.11 2kne n ASN 42 Ca -0.08 -3.61 -0.39 0.00 -0.60 0.00 0.00 54.58 49.90 2kne n ASN 42 Cb 0.56 -0.70 0.02 0.00 -0.53 0.00 0.00 39.78 39.12 2kne n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2kne s PRO 43 N -3.30 3.51 0.74 1.20 0.04 -1.26 -5.01 135.00 130.92 2kne s PRO 43 Ca 0.45 2.18 -0.11 0.00 0.04 0.00 0.00 61.00 63.55 2kne s PRO 43 Cb 0.22 -2.46 0.04 0.00 0.04 0.00 0.00 34.50 32.35 2kne s PRO 43 CO -0.09 -0.88 1.12 0.95 0.04 0.00 0.00 177.00 178.14 2kne s THR 44 N -1.31 2.90 0.21 1.26 -4.23 -1.26 -4.94 115.64 108.26 2kne s THR 44 Ca 0.65 0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 61.34 2kne s THR 44 Cb -0.39 -3.28 0.14 0.00 1.34 0.00 0.00 72.50 70.31 2kne s THR 44 CO 0.48 -0.37 1.83 -0.08 -0.54 0.00 0.00 174.62 175.93 2kne h GLU 45 N -0.80 0.74 -0.18 3.99 4.57 -2.03 -1.13 114.58 119.74 2kne h GLU 45 Ca -0.45 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 57.73 2kne h GLU 45 Cb 1.28 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 2kne h GLU 45 CO 0.65 0.49 0.25 0.00 -1.18 0.00 0.00 179.01 179.22 2kne h ALA 46 N 1.32 1.72 -0.59 2.92 0.00 -2.01 -0.39 119.26 122.23 2kne h ALA 46 Ca 0.29 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 2kne h ALA 46 Cb 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2kne h ALA 46 CO -0.14 -0.35 0.00 1.49 0.00 0.00 0.00 179.25 180.25 2kne h GLU 47 N 0.00 1.02 -0.77 0.00 4.57 -1.57 -2.00 114.58 115.83 2kne h GLU 47 Ca 0.09 -0.31 0.06 0.00 -1.18 0.00 0.00 59.36 58.01 2kne h GLU 47 Cb 0.59 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.03 2kne h GLU 47 CO -0.00 1.00 0.46 -0.07 -1.18 0.00 0.00 179.01 179.22 2kne h LEU 48 N 0.94 0.72 0.35 1.64 4.07 -1.14 -1.72 115.31 120.16 2kne h LEU 48 Ca 0.17 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 2kne h LEU 48 Cb 0.54 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2kne h LEU 48 CO 0.03 0.47 -0.17 -0.61 -1.08 0.00 0.00 178.44 177.08 2kne h GLN 49 N 0.86 -0.45 -0.26 1.13 5.75 -1.52 -2.68 115.11 117.94 2kne h GLN 49 Ca 0.33 0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.91 2kne h GLN 49 Cb 0.15 0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 2kne h GLN 49 CO -0.17 -0.13 0.01 -0.44 -2.65 0.00 0.00 178.83 175.45 2kne h ASP 50 N -0.91 -0.09 0.06 -0.69 3.32 -1.30 -0.99 116.42 115.82 2kne h ASP 50 Ca -0.05 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2kne h ASP 50 Cb 0.53 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2kne h ASP 50 CO 0.08 -0.01 -0.03 0.24 -1.72 0.00 0.00 179.24 177.80 2kne h MET 51 N 0.09 -0.08 -0.22 3.56 2.86 -1.43 -2.70 114.93 117.01 2kne h MET 51 Ca 0.12 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2kne h MET 51 Cb 0.16 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2kne h MET 51 CO -0.20 0.13 0.12 0.82 1.06 0.00 0.00 176.91 178.84 2kne h ILE 52 N -0.28 1.01 -0.69 -1.22 1.08 -1.41 -2.51 117.51 113.50 2kne h ILE 52 Ca -0.01 -0.09 0.11 0.00 -0.39 0.00 0.00 64.86 64.48 2kne h ILE 52 Cb 0.24 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 2kne h ILE 52 CO 0.01 0.05 0.46 0.78 -0.69 0.00 0.00 178.15 178.76 2kne h ASN 53 N 0.26 0.46 -0.62 1.72 2.35 -1.15 0.58 115.58 119.17 2kne h ASN 53 Ca 0.09 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 2kne h ASN 53 Cb 0.01 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2kne h ASN 53 CO -0.05 0.27 0.02 -0.08 -1.65 0.00 0.00 177.43 175.94 2kne h GLU 54 N 0.50 1.08 0.00 0.81 4.81 -1.11 -3.06 114.58 117.61 2kne h GLU 54 Ca 0.32 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kne h GLU 54 Cb 0.57 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2kne h GLU 54 CO -0.10 1.04 -0.72 0.28 -0.73 0.00 0.00 179.01 178.77 2kne h VAL 55 N 0.99 0.02 -0.94 0.32 2.07 -1.28 -3.43 116.25 113.99 2kne h VAL 55 Ca 0.18 -1.04 -0.63 0.00 0.82 0.00 0.00 66.70 66.04 2kne h VAL 55 Cb 0.54 1.66 -0.09 0.00 -1.52 0.00 0.00 31.29 31.88 2kne h VAL 55 CO 0.03 0.01 1.85 -0.62 0.02 0.00 0.00 177.57 178.86 2kne s ASP 56 N -5.62 6.60 0.31 0.57 2.15 0.13 -4.83 116.67 115.97 2kne s ASP 56 Ca 0.02 -1.97 -0.01 0.00 0.43 0.00 0.00 52.55 51.01 2kne s ASP 56 Cb 0.08 -2.58 0.48 0.00 -0.30 0.00 0.00 42.92 40.61 2kne s ASP 56 CO 0.76 -1.41 1.95 0.00 -0.17 0.00 0.00 175.17 176.29 2kne h ALA 57 N 8.64 1.40 -0.01 3.66 0.00 -1.85 -2.53 119.26 128.57 2kne h ALA 57 Ca 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2kne h ALA 57 Cb 0.93 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kne h ALA 57 CO 1.43 0.51 -0.08 -0.40 0.00 0.00 0.00 179.25 180.72 2kne n ASP 58 N -4.39 0.81 -1.92 0.00 5.75 -1.26 -4.92 116.55 110.62 2kne n ASP 58 Ca 0.07 -1.00 -0.21 0.00 -0.01 0.00 0.00 54.79 53.64 2kne n ASP 58 Cb 0.07 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.10 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 1.20 1.00 0.44 6.12 0.00 -0.96 -4.84 105.19 108.16 2kne n GLY 59 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.63 1.33 0.00 1.61 6.94 -1.26 -4.91 115.26 117.35 2kne n ASN 60 Ca -0.22 -1.62 0.00 0.00 -0.02 0.00 0.00 54.58 52.71 2kne n ASN 60 Cb 0.69 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 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 1.08 0.84 3.50 4.83 0.00 -1.26 -5.00 105.19 109.16 2kne n GLY 61 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.28 0.00 -0.13 2.61 -4.23 -1.26 -4.73 115.64 104.62 2kne s THR 62 Ca 0.00 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 2kne s THR 62 Cb 0.00 -2.32 -0.01 0.00 1.34 0.00 0.00 72.50 71.51 2kne s THR 62 CO 0.00 0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.31 2kne s ILE 63 N -3.93 2.93 0.31 2.99 1.01 -1.11 -4.81 121.20 118.59 2kne s ILE 63 Ca 0.27 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.26 2kne s ILE 63 Cb 0.01 -2.23 0.04 0.00 0.01 0.00 0.00 42.46 40.30 2kne s ILE 63 CO 0.11 0.52 0.37 0.47 0.00 0.00 0.00 174.94 176.41 2kne n ASP 64 N 3.64 1.42 -0.14 3.58 8.00 -1.26 -2.16 116.55 129.63 2kne n ASP 64 Ca -0.18 -1.91 -0.07 0.00 0.71 0.00 0.00 54.79 53.34 2kne n ASP 64 Cb 0.53 -0.16 0.02 0.00 -0.02 0.00 0.00 41.12 41.48 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 0.23 0.52 0.07 1.24 3.04 -1.99 -1.76 116.94 118.28 2kne h PHE 65 Ca -0.16 0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.82 2kne h PHE 65 Cb 0.69 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 39.00 2kne h PHE 65 CO 0.00 0.31 -0.23 -1.35 -2.02 0.00 0.00 178.31 175.02 2kne h PRO 66 N 0.56 -0.38 0.00 6.41 0.11 -2.01 -0.18 132.00 136.51 2kne h PRO 66 Ca 0.17 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 2kne h PRO 66 Cb -0.02 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 2kne h PRO 66 CO -0.07 -0.25 -0.01 0.93 -0.21 0.00 0.00 178.00 178.39 2kne h GLU 67 N -0.40 0.00 0.29 1.05 5.08 -1.93 -2.78 114.58 115.89 2kne h GLU 67 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2kne h GLU 67 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2kne h GLU 67 CO -0.16 0.01 -0.14 0.35 -1.00 0.00 0.00 179.01 178.07 2kne h PHE 68 N 0.00 -0.36 -0.57 4.33 3.57 -0.13 -3.34 116.94 120.44 2kne h PHE 68 Ca -0.00 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.53 2kne h PHE 68 Cb 0.10 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 2kne h PHE 68 CO 0.00 -0.09 0.33 -0.07 -2.23 0.00 0.00 178.31 176.25 2kne h LEU 69 N -1.03 0.52 -0.95 0.59 3.38 -1.07 -2.95 115.31 113.79 2kne h LEU 69 Ca -0.04 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.05 2kne h LEU 69 Cb 0.43 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 40.96 2kne h LEU 69 CO 0.07 0.36 -0.52 0.74 0.09 0.00 0.00 178.44 179.17 2kne h THR 70 N 0.64 0.01 -0.72 0.22 2.02 -1.64 0.15 112.91 113.59 2kne h THR 70 Ca 0.24 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.36 2kne h THR 70 Cb 0.07 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.46 2kne h THR 70 CO -0.12 0.00 0.23 0.00 0.37 0.00 0.00 175.52 176.00 2kne h MET 71 N -0.03 1.10 -0.90 6.66 -0.00 -1.65 -2.96 114.93 117.15 2kne h MET 71 Ca 0.22 -0.23 0.03 0.00 -0.00 0.00 0.00 59.70 59.72 2kne h MET 71 Cb 0.48 -0.16 -0.05 0.00 -0.00 0.00 0.00 31.60 31.87 2kne h MET 71 CO -0.93 0.93 0.59 0.52 -0.00 0.00 0.00 176.91 178.02 2kne h MET 72 N 1.06 1.12 -0.27 -0.10 2.07 -0.61 0.86 114.93 119.06 2kne h MET 72 Ca 0.23 -0.07 -0.11 0.00 -2.07 0.00 0.00 59.70 57.68 2kne h MET 72 Cb 0.29 -0.25 -0.01 0.00 -1.87 0.00 0.00 31.60 29.75 2kne h MET 72 CO -0.01 0.74 -0.30 0.00 1.07 0.00 0.00 176.91 178.42 2kne h ALA 73 N 1.36 0.98 0.00 6.32 0.00 -1.03 -3.05 119.26 123.84 2kne h ALA 73 Ca 0.35 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kne h ALA 73 Cb -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2kne h ALA 73 CO -0.11 0.60 -0.87 0.54 0.00 0.00 0.00 179.25 179.41 2kne n ARG 74 N -4.09 0.15 -2.07 0.00 1.74 -1.00 -4.64 116.66 106.76 2kne n ARG 74 Ca -0.01 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.65 2kne n ARG 74 Cb 0.45 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 2kne n ARG 74 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2kne n LYS 75 N -1.75 3.05 -0.41 5.56 3.00 0.30 -4.52 118.16 123.39 2kne n LYS 75 Ca 0.03 -2.94 0.08 0.00 -0.00 0.00 0.00 58.31 55.48 2kne n LYS 75 Cb 0.39 -3.28 0.25 0.00 0.00 0.00 0.00 35.03 32.38 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 6.36 3.01 -1.65 1.64 2.81 -1.26 -4.93 117.12 123.11 2kne n MET 76 Ca 0.49 -2.69 -0.48 0.00 -1.81 0.00 0.00 57.70 53.21 2kne n MET 76 Cb 0.41 -1.74 -0.05 0.00 -0.71 0.00 0.00 33.22 31.12 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 -0.22 1.83 -4.29 0.03 4.81 -1.26 -4.98 118.16 114.09 2kne n LYS 77 Ca 0.20 0.66 -0.33 0.00 -0.87 0.00 0.00 58.31 57.97 2kne n LYS 77 Cb 0.81 -2.39 -0.09 0.00 0.02 0.00 0.00 35.03 33.38 2kne n LYS 77 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kne s ASP 78 N 0.86 5.18 -0.03 3.14 1.01 -1.26 -5.12 116.67 120.45 2kne s ASP 78 Ca 0.81 0.03 0.03 0.00 0.71 0.00 0.00 52.55 54.13 2kne s ASP 78 Cb -0.77 -1.38 0.00 0.00 1.01 0.00 0.00 42.92 41.78 2kne s ASP 78 CO 0.41 0.30 -0.11 0.42 0.21 0.00 0.00 175.17 176.40 2kne s THR 79 N -1.06 0.96 -0.08 -1.27 -4.23 -1.26 -5.09 115.64 103.61 2kne s THR 79 Ca 0.19 -0.46 -0.29 0.00 -1.18 0.00 0.00 61.69 59.95 2kne s THR 79 Cb -0.12 -0.84 -0.07 0.00 1.34 0.00 0.00 72.50 72.82 2kne s THR 79 CO 0.09 0.29 2.02 -1.81 -0.54 0.00 0.00 174.62 174.67 2kne s ASP 80 N 0.15 6.10 0.56 3.99 1.01 -1.26 -4.76 116.67 122.45 2kne s ASP 80 Ca -0.03 2.29 0.00 0.00 0.71 0.00 0.00 52.55 55.53 2kne s ASP 80 Cb -0.09 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.32 2kne s ASP 80 CO 0.01 -1.39 0.85 -1.20 0.21 0.00 0.00 175.17 173.65 2kne n SER 81 N 9.08 0.00 0.12 0.27 7.64 -1.26 0.11 113.62 129.58 2kne n SER 81 Ca 0.23 0.43 -0.01 0.00 1.01 0.00 0.00 58.87 60.53 2kne n SER 81 Cb 0.43 -0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.86 2kne n SER 81 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2kne h GLU 82 N 0.00 0.15 -0.98 1.43 4.57 -2.01 -3.17 114.58 114.57 2kne h GLU 82 Ca 0.01 -0.08 0.17 0.00 -1.18 0.00 0.00 59.36 58.28 2kne h GLU 82 Cb 1.70 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 30.19 2kne h GLU 82 CO -0.00 0.58 0.59 1.49 -1.18 0.00 0.00 179.01 180.49 2kne h GLU 83 N 0.12 0.76 -0.00 1.92 4.81 0.43 0.56 114.58 123.18 2kne h GLU 83 Ca 0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2kne h GLU 83 Cb 0.85 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2kne h GLU 83 CO 0.07 0.50 -0.32 -0.85 -0.73 0.00 0.00 179.01 177.68 2kne n GLU 84 N -4.76 0.12 0.00 1.92 0.28 -1.20 -3.63 120.64 113.37 2kne n GLU 84 Ca 0.22 -0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 2kne n GLU 84 Cb 0.52 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.89 2kne n GLU 84 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2kne n ILE 85 N -1.39 0.00 -0.29 3.84 2.08 0.18 -2.04 119.36 121.74 2kne n ILE 85 Ca 0.07 0.95 -0.05 0.00 0.56 0.00 0.00 62.75 64.28 2kne n ILE 85 Cb 0.33 -1.82 0.07 0.00 -0.75 0.00 0.00 39.64 37.47 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 1.13 -0.74 0.38 3.08 -1.76 -2.95 114.38 113.52 2kne h ARG 86 Ca 0.00 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 2kne h ARG 86 Cb 0.00 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 2kne h ARG 86 CO 0.00 0.85 0.38 0.93 -1.07 0.00 0.00 179.97 181.07 2kne h GLU 87 N 1.12 1.04 -0.01 0.04 5.08 -1.71 -1.90 114.58 118.24 2kne h GLU 87 Ca 0.28 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2kne h GLU 87 Cb 0.07 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 2kne h GLU 87 CO -0.04 0.79 0.02 0.00 -1.00 0.00 0.00 179.01 178.79 2kne h ALA 88 N 1.19 1.16 -0.02 3.43 0.00 -1.23 -2.01 119.26 121.78 2kne h ALA 88 Ca 0.26 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2kne h ALA 88 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kne h ALA 88 CO -0.04 -0.03 -0.25 0.35 0.00 0.00 0.00 179.25 179.29 2kne h PHE 89 N 0.00 0.29 -0.76 0.00 3.57 -1.33 -3.13 116.94 115.58 2kne h PHE 89 Ca 0.00 -0.14 0.08 0.00 3.53 0.00 0.00 57.97 61.44 2kne h PHE 89 Cb 0.05 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.68 2kne h PHE 89 CO 0.00 0.91 0.43 0.00 -2.23 0.00 0.00 178.31 177.41 2kne h ARG 90 N -0.41 0.72 -0.34 1.11 3.08 -1.33 0.51 114.38 117.72 2kne h ARG 90 Ca -0.03 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2kne h ARG 90 Cb 0.96 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 2kne h ARG 90 CO 0.05 0.47 0.12 0.28 -1.07 0.00 0.00 179.97 179.83 2kne h VAL 91 N 0.74 1.19 -0.34 2.04 2.07 -1.63 -3.02 116.25 117.30 2kne h VAL 91 Ca 0.36 -0.61 -0.16 0.00 0.82 0.00 0.00 66.70 67.11 2kne h VAL 91 Cb 0.30 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2kne h VAL 91 CO -0.23 0.21 -0.42 -0.26 0.02 0.00 0.00 177.57 176.89 2kne h PHE 92 N 0.39 1.03 -2.28 1.57 -1.00 -1.35 -3.33 116.94 111.97 2kne h PHE 92 Ca 0.11 -0.32 -0.71 0.00 2.81 0.00 0.00 57.97 59.86 2kne h PHE 92 Cb 0.21 -0.21 -0.18 0.00 3.61 0.00 0.00 35.95 39.38 2kne h PHE 92 CO 0.00 1.12 1.11 0.34 -1.61 0.00 0.00 178.31 179.27 2kne s ASP 93 N -6.86 6.86 0.13 2.17 -1.08 0.17 -4.63 116.67 113.43 2kne s ASP 93 Ca -0.10 -2.54 -0.19 0.00 -0.52 0.00 0.00 52.55 49.19 2kne s ASP 93 Cb 0.11 -2.40 -0.03 0.00 -1.46 0.00 0.00 42.92 39.14 2kne s ASP 93 CO 0.87 -0.90 1.75 0.50 0.52 0.00 0.00 175.17 177.91 2kne h LYS 94 N 7.95 0.16 -0.24 4.34 3.64 -1.68 -2.64 116.57 128.10 2kne h LYS 94 Ca 0.24 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2kne h LYS 94 Cb 0.94 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2kne h LYS 94 CO 1.18 0.11 0.00 -0.40 -2.27 0.00 0.00 179.45 178.07 2kne n ASP 95 N -5.05 2.14 -3.73 4.20 5.75 -1.26 -4.95 116.55 113.65 2kne n ASP 95 Ca -0.02 -1.81 -0.22 0.00 -0.01 0.00 0.00 54.79 52.73 2kne n ASP 95 Cb 0.08 -0.15 0.02 0.00 -1.03 0.00 0.00 41.12 40.05 2kne n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 96 N 1.22 -0.31 0.92 6.12 0.00 -0.99 -4.87 105.19 107.28 2kne n GLY 96 Ca 0.17 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.04 2.73 0.00 1.61 2.04 -1.26 -4.91 115.26 112.43 2kne n ASN 97 Ca -0.30 -1.91 0.00 0.00 -0.44 0.00 0.00 54.58 51.94 2kne n ASN 97 Cb 0.68 -0.24 0.00 0.00 -2.53 0.00 0.00 39.78 37.69 2kne n ASN 97 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2kne n GLY 98 N 1.35 0.94 3.04 4.83 0.00 -1.26 -5.01 105.19 109.07 2kne n GLY 98 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.63 0.57 -0.28 1.61 1.51 -1.26 -3.87 117.35 112.00 2kne s TYR 99 Ca 0.00 -0.49 -0.14 0.00 -1.01 0.00 0.00 57.07 55.43 2kne s TYR 99 Cb 0.00 -0.35 -0.04 0.00 -0.11 0.00 0.00 41.96 41.46 2kne s TYR 99 CO 0.00 -0.10 0.32 0.42 -1.11 0.00 0.00 175.55 175.07 2kne s ILE 100 N -1.35 5.21 0.27 2.71 1.01 -0.40 -4.69 121.20 123.96 2kne s ILE 100 Ca -0.11 0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.82 2kne s ILE 100 Cb -0.10 -3.66 -0.07 0.00 0.01 0.00 0.00 42.46 38.64 2kne s ILE 100 CO 0.00 0.15 0.60 -0.55 0.00 0.00 0.00 174.94 175.14 2kne s SER 101 N 1.69 6.61 0.18 3.58 0.15 -1.26 -2.99 113.70 121.66 2kne s SER 101 Ca 0.12 0.96 -0.13 0.00 0.70 0.00 0.00 55.95 57.60 2kne s SER 101 Cb -0.16 -2.24 0.15 0.00 -1.71 0.00 0.00 66.02 62.05 2kne s SER 101 CO 0.10 -0.14 1.75 0.00 1.20 0.00 0.00 173.24 176.16 2kne h ALA 102 N 2.26 0.58 -0.90 5.45 0.00 -1.98 -1.00 119.26 123.68 2kne h ALA 102 Ca -0.47 0.05 0.16 0.00 0.00 0.00 0.00 54.91 54.65 2kne h ALA 102 Cb 1.17 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 2kne h ALA 102 CO 0.68 -0.20 0.49 0.00 0.00 0.00 0.00 179.25 180.22 2kne h ALA 103 N 1.30 1.39 -0.54 0.00 0.00 -2.00 -0.42 119.26 119.00 2kne h ALA 103 Ca 0.22 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 2kne h ALA 103 Cb 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kne h ALA 103 CO -0.22 -0.06 0.08 0.93 0.00 0.00 0.00 179.25 179.99 2kne h GLU 104 N 0.68 0.89 -0.35 0.00 5.08 -1.55 -3.10 114.58 116.24 2kne h GLU 104 Ca 0.50 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2kne h GLU 104 Cb 0.71 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2kne h GLU 104 CO -0.36 0.87 0.14 1.25 -1.00 0.00 0.00 179.01 179.91 2kne h LEU 105 N 0.78 0.48 -0.95 1.33 5.85 -0.25 -2.96 115.31 119.60 2kne h LEU 105 Ca 0.16 -0.17 0.29 0.00 0.84 0.00 0.00 57.88 59.00 2kne h LEU 105 Cb 0.42 -0.13 -0.15 0.00 0.37 0.00 0.00 40.66 41.17 2kne h LEU 105 CO 0.01 0.52 0.36 -0.09 -0.34 0.00 0.00 178.44 178.89 2kne h ARG 106 N 0.42 0.20 -0.03 1.25 2.43 -1.06 1.02 114.38 118.61 2kne h ARG 106 Ca 0.12 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2kne h ARG 106 Cb 0.18 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2kne h ARG 106 CO -0.01 0.13 -0.26 1.25 -1.51 0.00 0.00 179.97 179.57 2kne h HIS 107 N 0.20 0.06 -0.80 2.20 2.76 -1.56 -2.96 115.15 115.05 2kne h HIS 107 Ca 0.65 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.86 2kne h HIS 107 Cb 1.43 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 30.32 2kne h HIS 107 CO -0.18 0.31 0.49 0.28 -1.30 0.00 0.00 177.93 177.53 2kne h VAL 108 N 0.05 1.06 -0.58 5.26 2.07 0.11 -2.62 116.25 121.59 2kne h VAL 108 Ca 0.01 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 67.32 2kne h VAL 108 Cb 0.48 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.23 2kne h VAL 108 CO 0.03 0.17 0.12 0.24 0.02 0.00 0.00 177.57 178.16 2kne h MET 109 N 0.92 0.25 -0.96 1.57 2.07 -1.47 -1.22 114.93 116.08 2kne h MET 109 Ca 0.34 -0.02 0.11 0.00 -2.07 0.00 0.00 59.70 58.06 2kne h MET 109 Cb 0.12 -0.06 -0.08 0.00 -1.87 0.00 0.00 31.60 29.72 2kne h MET 109 CO -0.15 0.17 0.61 1.79 1.07 0.00 0.00 176.91 180.40 2kne h THR 110 N 0.26 0.95 -0.53 2.22 1.35 -1.60 0.41 112.91 115.96 2kne h THR 110 Ca 0.30 -0.33 -0.09 0.00 -0.55 0.00 0.00 66.41 65.74 2kne h THR 110 Cb 0.44 -0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 66.74 2kne h THR 110 CO -0.39 0.18 -0.02 0.78 -0.25 0.00 0.00 175.52 175.82 2kne h ASN 111 N 0.96 0.93 1.32 5.36 2.35 -1.21 -2.91 115.58 122.39 2kne h ASN 111 Ca 0.46 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2kne h ASN 111 Cb 0.44 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2kne h ASN 111 CO -0.22 1.02 -0.13 0.18 -1.65 0.00 0.00 177.43 176.63 2kne n LEU 112 N -4.26 0.75 -0.79 1.61 4.77 -0.46 -4.94 117.00 113.68 2kne n LEU 112 Ca 0.01 0.50 -0.06 0.00 -0.03 0.00 0.00 56.01 56.43 2kne n LEU 112 Cb 0.34 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2kne n LEU 112 CO 0.43 -0.14 -0.06 0.61 -1.33 0.00 0.00 177.39 176.89 2kne n GLY 113 N 1.33 0.15 0.10 -0.72 0.00 0.13 -4.94 105.19 101.24 2kne n GLY 113 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.09 0.00 -6.47 1.61 4.57 -1.73 -3.49 114.58 108.98 2kne h GLU 114 Ca -0.15 0.00 -0.45 0.00 -1.18 0.00 0.00 59.36 57.57 2kne h GLU 114 Cb 1.11 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.73 2kne h GLU 114 CO 0.18 0.36 -0.91 1.63 -1.18 0.00 0.00 179.01 179.08 2kne n LYS 115 N -2.98 -1.01 -2.79 1.92 5.02 -1.26 -4.92 118.16 112.13 2kne n LYS 115 Ca -0.06 0.51 -0.34 0.00 -2.02 0.00 0.00 58.31 56.39 2kne n LYS 115 Cb 0.82 -3.39 -0.07 0.00 -0.02 0.00 0.00 35.03 32.37 2kne n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kne s LEU 116 N -6.20 4.06 0.84 -0.35 1.43 -1.26 -5.07 118.68 112.12 2kne s LEU 116 Ca 0.33 1.75 -0.11 0.00 -1.03 0.00 0.00 54.13 55.07 2kne s LEU 116 Cb -0.15 -4.38 0.13 0.00 0.03 0.00 0.00 46.19 41.82 2kne s LEU 116 CO 0.89 -0.29 1.18 0.42 0.23 0.00 0.00 176.35 178.78 2kne s THR 117 N -2.00 2.08 0.18 5.49 -4.23 -1.26 -4.86 115.64 111.03 2kne s THR 117 Ca 0.59 -0.13 -0.13 0.00 -1.18 0.00 0.00 61.69 60.83 2kne s THR 117 Cb -0.12 -2.94 0.08 0.00 1.34 0.00 0.00 72.50 70.85 2kne s THR 117 CO 0.17 0.00 1.79 -0.78 -0.54 0.00 0.00 174.62 175.26 2kne h ASP 118 N -1.13 0.41 -0.41 3.99 1.82 -1.99 -1.26 116.42 117.85 2kne h ASP 118 Ca -0.44 0.02 0.03 0.00 -0.39 0.00 0.00 57.03 56.26 2kne h ASP 118 Cb 1.28 -0.06 -0.04 0.00 0.68 0.00 0.00 39.33 41.20 2kne h ASP 118 CO 0.50 0.28 0.20 -0.08 -1.61 0.00 0.00 179.24 178.53 2kne h GLU 119 N 0.53 0.39 -0.02 0.28 4.81 -2.00 -1.92 114.58 116.65 2kne h GLU 119 Ca 0.22 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 2kne h GLU 119 Cb 0.11 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2kne h GLU 119 CO -0.14 0.26 -0.53 0.93 -0.73 0.00 0.00 179.01 178.79 2kne h GLU 120 N 0.40 0.06 -0.60 1.92 5.08 -1.86 -1.49 114.58 118.09 2kne h GLU 120 Ca 0.18 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2kne h GLU 120 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2kne h GLU 120 CO -0.13 0.58 0.19 0.28 -1.00 0.00 0.00 179.01 178.92 2kne h VAL 121 N 0.05 1.24 -0.23 3.13 2.07 -0.78 -2.11 116.25 119.62 2kne h VAL 121 Ca -0.00 -0.83 -0.13 0.00 0.82 0.00 0.00 66.70 66.55 2kne h VAL 121 Cb 0.95 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2kne h VAL 121 CO 0.07 0.32 -0.42 -0.78 0.02 0.00 0.00 177.57 176.78 2kne h ASP 122 N 0.86 0.58 0.24 0.57 3.58 -1.20 -3.07 116.42 117.97 2kne h ASP 122 Ca 0.19 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2kne h ASP 122 Cb 0.29 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 2kne h ASP 122 CO -0.01 0.93 -0.13 -0.08 -2.88 0.00 0.00 179.24 177.07 2kne h GLU 123 N 0.45 -0.33 -0.68 0.28 4.81 -0.79 -1.96 114.58 116.34 2kne h GLU 123 Ca 0.04 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 2kne h GLU 123 Cb 0.92 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.31 2kne h GLU 123 CO 0.08 -0.22 0.36 0.52 -0.73 0.00 0.00 179.01 179.01 2kne h MET 124 N -0.35 0.61 -0.64 1.92 2.86 -1.44 -2.03 114.93 115.87 2kne h MET 124 Ca -0.03 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2kne h MET 124 Cb 0.28 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 2kne h MET 124 CO 0.04 0.41 0.40 0.82 1.06 0.00 0.00 176.91 179.64 2kne h ILE 125 N 0.63 1.11 -0.85 -1.22 2.04 -1.39 -2.21 117.51 115.62 2kne h ILE 125 Ca 0.32 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.92 2kne h ILE 125 Cb 0.28 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 2kne h ILE 125 CO -0.23 0.15 0.56 -0.09 0.00 0.00 0.00 178.15 178.54 2kne h ARG 126 N 0.80 1.09 -0.86 2.37 2.43 -0.64 0.25 114.38 119.83 2kne h ARG 126 Ca 0.25 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 2kne h ARG 126 Cb -0.02 -0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 29.23 2kne h ARG 126 CO -0.09 0.72 0.55 0.93 -1.51 0.00 0.00 179.97 180.58 2kne h GLU 127 N 1.12 1.03 0.00 0.20 4.39 -1.00 -2.75 114.58 117.57 2kne h GLU 127 Ca 0.32 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.91 2kne h GLU 127 Cb -0.10 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.32 2kne h GLU 127 CO -0.07 0.68 -1.06 0.00 -1.16 0.00 0.00 179.01 177.40 2kne h ALA 128 N 1.37 0.55 -0.92 3.43 0.00 -1.38 -3.43 119.26 118.88 2kne h ALA 128 Ca 0.35 -0.20 -0.59 0.00 0.00 0.00 0.00 54.91 54.46 2kne h ALA 128 Cb 0.04 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 2kne h ALA 128 CO -0.13 0.22 1.73 0.34 0.00 0.00 0.00 179.25 181.42 2kne s ASP 129 N -5.51 6.44 0.08 0.00 2.15 0.05 -4.76 116.67 115.12 2kne s ASP 129 Ca -0.01 -1.87 0.18 0.00 0.43 0.00 0.00 52.55 51.28 2kne s ASP 129 Cb 0.09 -2.58 0.76 0.00 -0.30 0.00 0.00 42.92 40.90 2kne s ASP 129 CO 0.79 -1.57 1.57 2.30 -0.17 0.00 0.00 175.17 178.09 2kne n ILE 130 N 6.81 0.89 -3.89 4.11 -5.35 -1.26 -4.67 119.36 116.01 2kne n ILE 130 Ca 0.42 0.22 -0.11 0.00 -0.27 0.00 0.00 62.75 63.01 2kne n ILE 130 Cb 0.48 -1.02 -0.12 0.00 -1.74 0.00 0.00 39.64 37.24 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 -3.41 0.03 -0.28 7.28 -4.77 -1.26 -5.06 116.67 109.20 2kne s ASP 131 Ca 0.07 -0.11 -0.05 0.00 -3.30 0.00 0.00 52.55 49.15 2kne s ASP 131 Cb 0.10 0.15 -0.16 0.00 -1.09 0.00 0.00 42.92 41.91 2kne s ASP 131 CO 0.32 -0.18 2.68 0.61 0.70 0.00 0.00 175.17 179.31 2kne n GLY 132 N 2.28 2.70 0.04 2.12 0.00 -1.26 -4.22 105.19 106.84 2kne n GLY 132 Ca -0.18 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 2.95 0.62 0.00 1.61 5.75 -1.26 -4.95 116.55 121.28 2kne n ASP 133 Ca 0.37 -0.41 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 2kne n ASP 133 Cb 0.55 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.93 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 0.94 3.13 6.12 0.00 -1.26 -4.99 105.19 110.60 2kne n GLY 134 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.15 0.72 -0.30 1.61 -0.21 -1.26 -4.84 119.66 115.23 2kne s GLN 135 Ca 0.00 -0.92 -0.13 0.00 0.02 0.00 0.00 55.36 54.33 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 0.12 0.28 0.08 -2.12 0.00 0.00 175.29 173.65 2kne s VAL 136 N -1.50 5.24 0.79 1.09 1.01 -1.16 -4.94 120.40 120.94 2kne s VAL 136 Ca -0.04 0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 2kne s VAL 136 Cb -0.09 -3.66 0.12 0.00 0.00 0.00 0.00 36.38 32.75 2kne s VAL 136 CO 0.01 0.12 1.11 0.21 0.00 0.00 0.00 175.10 176.56 2kne s ASN 137 N 1.72 4.14 0.20 3.32 3.84 -1.26 -1.28 114.94 125.63 2kne s ASN 137 Ca 0.10 0.20 -0.10 0.00 0.21 0.00 0.00 52.86 53.27 2kne s ASN 137 Cb -0.16 -0.58 0.15 0.00 -0.55 0.00 0.00 41.25 40.10 2kne s ASN 137 CO 0.11 -2.04 1.84 0.22 -2.79 0.00 0.00 177.10 174.44 2kne h TYR 138 N -0.93 0.99 -0.59 0.43 3.20 -1.99 -1.62 116.97 116.46 2kne h TYR 138 Ca -0.42 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2kne h TYR 138 Cb 1.28 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.20 2kne h TYR 138 CO -0.28 0.67 0.39 1.49 -1.64 0.00 0.00 178.16 178.79 2kne h GLU 139 N 1.02 0.78 -0.57 1.82 4.81 -1.94 -1.33 114.58 119.17 2kne h GLU 139 Ca 0.27 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2kne h GLU 139 Cb -0.03 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 2kne h GLU 139 CO -0.05 0.52 0.09 0.93 -0.73 0.00 0.00 179.01 179.77 2kne h GLU 140 N 0.80 0.92 -0.45 1.92 5.08 -1.79 -1.77 114.58 119.29 2kne h GLU 140 Ca 0.22 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kne h GLU 140 Cb -0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2kne h GLU 140 CO -0.05 0.86 0.27 0.35 -1.00 0.00 0.00 179.01 179.44 2kne h PHE 141 N 0.87 0.59 -0.21 4.33 3.57 -0.73 -2.59 116.94 122.77 2kne h PHE 141 Ca 0.18 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2kne h PHE 141 Cb 0.39 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2kne h PHE 141 CO 0.02 0.42 0.03 0.28 -2.23 0.00 0.00 178.31 176.84 2kne h VAL 142 N 0.59 1.23 -0.75 1.41 2.07 -1.05 -2.29 116.25 117.46 2kne h VAL 142 Ca 0.16 -0.74 0.15 0.00 0.82 0.00 0.00 66.70 67.08 2kne h VAL 142 Cb 0.00 1.31 -0.10 0.00 -1.52 0.00 0.00 31.29 30.98 2kne h VAL 142 CO -0.03 0.23 0.29 -0.61 0.02 0.00 0.00 177.57 177.47 2kne h GLN 143 N 0.15 0.40 -0.17 1.57 5.75 -1.18 0.01 115.11 121.64 2kne h GLN 143 Ca 0.06 -0.02 -0.18 0.00 -0.15 0.00 0.00 58.65 58.36 2kne h GLN 143 Cb 0.32 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 2kne h GLN 143 CO 0.00 0.27 -0.62 0.52 -2.65 0.00 0.00 178.83 176.35 2kne h MET 144 N 0.42 0.60 -0.10 1.69 2.86 -1.32 0.36 114.93 119.44 2kne h MET 144 Ca 0.42 -0.42 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2kne h MET 144 Cb 0.65 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2kne h MET 144 CO -0.42 1.04 -0.25 0.52 1.06 0.00 0.00 176.91 178.85 2kne h MET 145 N 0.44 0.36 0.00 1.72 2.86 -0.81 -3.28 114.93 116.23 2kne h MET 145 Ca -0.01 -0.24 -0.20 0.00 -2.06 0.00 0.00 59.70 57.19 2kne h MET 145 Cb 1.19 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.86 2kne h MET 145 CO 0.12 0.85 -0.98 1.79 1.06 0.00 0.00 176.91 179.75 2kne h THR 146 N -0.09 1.42 -0.18 2.22 1.35 -1.09 -3.45 112.91 113.10 2kne h THR 146 Ca -0.00 -3.07 -0.73 0.00 -0.55 0.00 0.00 66.41 62.05 2kne h THR 146 Cb 0.86 2.70 -0.04 0.00 -1.73 0.00 0.00 68.15 69.93 2kne h THR 146 CO 0.06 0.81 1.37 0.00 -0.25 0.00 0.00 175.52 177.50 2kne n ALA 147 N -2.35 0.36 0.98 6.62 0.00 0.13 -5.08 120.51 121.18 2kne n ALA 147 Ca -0.02 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2kne n ALA 147 Cb 0.91 -2.17 0.10 0.00 0.00 0.00 0.00 19.45 18.28 2kne n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67