#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 0.85 -3.24 0.00 3.58 -1.98 -3.36 116.42 112.27 2kne h ASP 2 Ca 0.00 -0.16 -0.75 0.00 0.42 0.00 0.00 57.03 56.54 2kne h ASP 2 Cb 0.00 -0.22 -0.23 0.00 1.72 0.00 0.00 39.33 40.60 2kne h ASP 2 CO 0.00 0.83 0.04 -1.10 -2.88 0.00 0.00 179.24 176.12 2kne s GLN 3 N -5.24 3.25 -0.07 0.28 -0.21 -1.26 -4.80 119.66 111.61 2kne s GLN 3 Ca -0.10 -1.88 0.11 0.00 0.02 0.00 0.00 55.36 53.51 2kne s GLN 3 Cb 0.15 -4.38 -0.16 0.00 1.00 0.00 0.00 33.01 29.62 2kne s GLN 3 CO 0.81 -1.40 0.15 -0.11 -2.12 0.00 0.00 175.29 172.63 2kne n LEU 4 N 5.16 0.00 -4.75 2.90 7.94 -1.26 -4.96 117.00 122.03 2kne n LEU 4 Ca -0.01 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.49 2kne n LEU 4 Cb 0.43 0.14 -0.05 0.00 0.53 0.00 0.00 43.42 44.47 2kne n LEU 4 CO 0.48 0.14 0.70 0.42 -1.11 0.00 0.00 177.39 178.02 2kne s THR 5 N -2.55 3.86 0.13 1.96 -4.23 -1.26 -4.95 115.64 108.60 2kne s THR 5 Ca -0.05 1.88 -0.29 0.00 -1.18 0.00 0.00 61.69 62.04 2kne s THR 5 Cb 0.05 -4.19 -0.05 0.00 1.34 0.00 0.00 72.50 69.65 2kne s THR 5 CO 0.48 0.45 1.58 -0.08 -0.54 0.00 0.00 174.62 176.51 2kne h GLU 6 N 4.04 -0.46 -0.86 3.99 4.57 -2.02 -1.54 114.58 122.30 2kne h GLU 6 Ca -0.46 0.03 0.33 0.00 -1.18 0.00 0.00 59.36 58.08 2kne h GLU 6 Cb 1.20 0.11 -0.12 0.00 -0.16 0.00 0.00 28.75 29.78 2kne h GLU 6 CO 0.68 -0.31 0.51 -1.91 -1.18 0.00 0.00 179.01 176.79 2kne n GLU 7 N -5.43 -0.04 -0.05 1.92 2.13 -1.26 0.27 120.64 118.18 2kne n GLU 7 Ca -0.04 0.98 -0.08 0.00 0.66 0.00 0.00 57.16 58.68 2kne n GLU 7 Cb 0.36 -1.83 0.08 0.00 0.27 0.00 0.00 31.44 30.33 2kne n GLU 7 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2kne h GLN 8 N 0.00 0.69 -0.55 5.31 4.20 -1.67 -0.96 115.11 122.14 2kne h GLN 8 Ca 0.64 -0.33 0.02 0.00 0.06 0.00 0.00 58.65 59.04 2kne h GLN 8 Cb 1.85 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.58 2kne h GLN 8 CO -0.47 0.93 0.34 0.82 -0.67 0.00 0.00 178.83 179.78 2kne h ILE 9 N 0.58 1.08 -0.12 2.54 2.04 0.37 -0.33 117.51 123.68 2kne h ILE 9 Ca 0.06 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.73 2kne h ILE 9 Cb 0.85 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 2kne h ILE 9 CO 0.07 0.12 -0.19 0.00 0.00 0.00 0.00 178.15 178.15 2kne h ALA 10 N 1.23 -0.15 -0.22 1.87 0.00 -1.00 0.12 119.26 121.12 2kne h ALA 10 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2kne h ALA 10 Cb -0.00 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2kne h ALA 10 CO -0.08 -0.65 0.14 0.93 0.00 0.00 0.00 179.25 179.58 2kne h GLU 11 N -0.25 0.29 -0.75 0.00 5.08 -0.72 -2.82 114.58 115.41 2kne h GLU 11 Ca 0.09 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2kne h GLU 11 Cb 0.39 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2kne h GLU 11 CO -0.26 0.22 0.34 0.74 -1.00 0.00 0.00 179.01 179.05 2kne h PHE 12 N 0.28 1.07 -0.06 4.33 -1.00 -0.84 -3.01 116.94 117.72 2kne h PHE 12 Ca 0.08 -0.05 0.04 0.00 2.81 0.00 0.00 57.97 60.85 2kne h PHE 12 Cb -0.01 -0.33 -0.05 0.00 3.61 0.00 0.00 35.95 39.16 2kne h PHE 12 CO -0.06 0.79 -0.30 -0.22 -1.61 0.00 0.00 178.31 176.91 2kne h LYS 13 N 1.06 -0.40 -0.97 1.51 3.64 -0.49 -0.65 116.57 120.27 2kne h LYS 13 Ca 0.26 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.86 2kne h LYS 13 Cb 0.13 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 31.93 2kne h LYS 13 CO -0.03 -0.27 0.55 0.93 -2.27 0.00 0.00 179.45 178.36 2kne h GLU 14 N -0.42 0.63 -0.85 1.90 5.08 -1.46 0.93 114.58 120.39 2kne h GLU 14 Ca 0.08 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 2kne h GLU 14 Cb 0.53 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 2kne h GLU 14 CO -0.29 0.42 0.56 0.00 -1.00 0.00 0.00 179.01 178.69 2kne h ALA 15 N 1.66 1.65 -0.90 3.43 0.00 -1.10 -2.45 119.26 121.55 2kne h ALA 15 Ca 0.57 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.51 2kne h ALA 15 Cb 0.96 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 2kne h ALA 15 CO -0.42 0.19 0.58 0.74 0.00 0.00 0.00 179.25 180.34 2kne h PHE 16 N 0.86 1.09 0.00 0.00 -1.00 -0.43 -0.86 116.94 116.60 2kne h PHE 16 Ca 0.39 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.20 2kne h PHE 16 Cb 0.36 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2kne h PHE 16 CO -0.00 0.61 0.00 1.03 -1.61 0.00 0.00 178.31 178.34 2kne h SER 17 N 1.12 0.00 -0.56 2.17 0.87 -1.47 -2.34 113.55 113.34 2kne h SER 17 Ca 0.37 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.87 2kne h SER 17 Cb 0.04 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2kne h SER 17 CO -0.13 0.00 0.14 0.25 -0.53 0.00 0.00 176.83 176.56 2kne h LEU 18 N 0.00 0.85 0.00 2.23 5.85 -1.19 -3.29 115.31 119.76 2kne h LEU 18 Ca 0.00 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2kne h LEU 18 Cb 0.16 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.96 2kne h LEU 18 CO 0.00 0.86 -1.10 2.22 -0.34 0.00 0.00 178.44 180.08 2kne n PHE 19 N -4.40 0.00 -2.17 1.25 1.16 -1.11 -4.86 117.46 107.33 2kne n PHE 19 Ca 0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.27 2kne n PHE 19 Cb 0.23 -0.14 -0.04 0.00 -1.61 0.00 0.00 39.48 37.92 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 -2.94 5.48 0.01 5.98 1.01 -0.90 -4.82 116.67 120.50 2kne s ASP 20 Ca 0.01 -0.54 -0.24 0.00 0.71 0.00 0.00 52.55 52.49 2kne s ASP 20 Cb 0.11 -2.55 -0.18 0.00 1.01 0.00 0.00 42.92 41.30 2kne s ASP 20 CO 0.62 -2.38 1.39 0.50 0.21 0.00 0.00 175.17 175.51 2kne h LYS 21 N 11.85 0.05 -0.59 8.23 3.64 -1.89 -3.27 116.57 134.59 2kne h LYS 21 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2kne h LYS 21 Cb 1.05 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2kne h LYS 21 CO 1.25 0.41 0.00 -0.40 -2.27 0.00 0.00 179.45 178.44 2kne n ASP 22 N -4.87 4.54 -3.93 4.20 5.68 -1.26 -4.96 116.55 115.94 2kne n ASP 22 Ca -0.08 -2.45 -0.31 0.00 -0.50 0.00 0.00 54.79 51.46 2kne n ASP 22 Cb 0.21 -0.55 -0.07 0.00 -1.14 0.00 0.00 41.12 39.57 2kne n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kne n GLY 23 N 0.94 -0.23 0.15 6.12 0.00 -1.24 -4.74 105.19 106.19 2kne n GLY 23 Ca 0.24 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.96 0.56 0.00 1.61 5.75 -1.26 -4.89 116.55 116.36 2kne n ASP 24 Ca -0.04 -0.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.98 2kne n ASP 24 Cb 0.43 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 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 1.23 0.91 3.06 6.12 0.00 -1.26 -5.03 105.19 110.21 2kne n GLY 25 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.97 0.38 -0.20 2.61 -4.23 -1.26 -4.78 115.64 105.18 2kne s THR 26 Ca 0.00 -1.27 -0.19 0.00 -1.18 0.00 0.00 61.69 59.06 2kne s THR 26 Cb 0.00 -0.80 -0.03 0.00 1.34 0.00 0.00 72.50 73.01 2kne s THR 26 CO 0.00 -0.59 0.52 -0.63 -0.54 0.00 0.00 174.62 173.39 2kne s ILE 27 N -2.13 5.10 0.34 2.99 1.09 -0.95 -4.92 121.20 122.72 2kne s ILE 27 Ca -0.06 0.96 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 0.17 0.06 0.42 -0.10 0.00 0.00 174.94 175.46 2kne s THR 28 N 1.71 2.73 0.34 2.92 -4.23 -1.26 -2.72 115.64 115.13 2kne s THR 28 Ca 0.24 -1.87 0.03 0.00 -1.18 0.00 0.00 61.69 58.91 2kne s THR 28 Cb -0.15 -2.87 0.28 0.00 1.34 0.00 0.00 72.50 71.09 2kne s THR 28 CO 0.10 -0.18 1.97 0.71 -0.54 0.00 0.00 174.62 176.67 2kne h THR 29 N 1.70 1.10 0.91 3.99 1.35 -1.92 -1.73 112.91 118.31 2kne h THR 29 Ca -0.43 -0.30 -0.04 0.00 -0.55 0.00 0.00 66.41 65.09 2kne h THR 29 Cb 1.25 0.15 0.01 0.00 -1.73 0.00 0.00 68.15 67.83 2kne h THR 29 CO 0.66 0.16 -0.44 0.50 -0.25 0.00 0.00 175.52 176.15 2kne h LYS 30 N 0.87 -1.18 -0.02 4.72 3.64 -1.98 -2.37 116.57 120.24 2kne h LYS 30 Ca 0.30 0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.74 2kne h LYS 30 Cb 0.09 0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2kne h LYS 30 CO -0.09 -0.79 -0.09 1.05 -2.27 0.00 0.00 179.45 177.27 2kne h GLU 31 N -1.27 0.03 0.37 1.90 4.11 -1.89 -2.23 114.58 115.61 2kne h GLU 31 Ca -0.13 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.28 2kne h GLU 31 Cb 0.94 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2kne h GLU 31 CO 0.21 0.12 -0.18 1.25 0.07 0.00 0.00 179.01 180.48 2kne h LEU 32 N 0.03 -0.42 -1.16 3.06 5.85 -1.18 -2.93 115.31 118.56 2kne h LEU 32 Ca 0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2kne h LEU 32 Cb 0.18 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2kne h LEU 32 CO 0.01 -0.27 0.41 1.23 -0.34 0.00 0.00 178.44 179.47 2kne h GLY 33 N -0.54 1.06 0.88 3.75 0.00 -1.12 -2.61 103.07 104.49 2kne h GLY 33 Ca -0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2kne h GLY 33 CO 0.08 0.44 -0.20 -0.84 0.00 0.00 0.00 176.54 176.02 2kne h THR 34 N 1.00 0.57 -0.46 4.70 2.02 -1.31 -1.14 112.91 118.29 2kne h THR 34 Ca 0.26 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.47 2kne h THR 34 Cb 0.00 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 2kne h THR 34 CO -0.04 0.00 0.24 0.58 0.37 0.00 0.00 175.52 176.66 2kne h VAL 35 N -0.50 0.98 -0.86 3.16 2.07 -1.32 -2.17 116.25 117.62 2kne h VAL 35 Ca -0.03 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.36 2kne h VAL 35 Cb 0.42 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2kne h VAL 35 CO 0.02 0.09 0.56 -0.03 0.02 0.00 0.00 177.57 178.22 2kne h MET 36 N 0.48 1.06 -0.91 1.57 -1.53 -1.32 -0.59 114.93 113.68 2kne h MET 36 Ca 0.19 -0.06 0.21 0.00 -3.44 0.00 0.00 59.70 56.60 2kne h MET 36 Cb 0.08 -0.24 -0.07 0.00 -0.55 0.00 0.00 31.60 30.83 2kne h MET 36 CO -0.13 0.70 0.60 -0.09 0.14 0.00 0.00 176.91 178.14 2kne h ARG 37 N 1.09 0.38 0.00 0.39 2.43 -0.56 0.96 114.38 119.06 2kne h ARG 37 Ca 0.34 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2kne h ARG 37 Cb -0.01 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2kne h ARG 37 CO -0.11 0.25 -0.01 1.03 -1.51 0.00 0.00 179.97 179.62 2kne h SER 38 N 0.39 0.00 0.00 -3.80 0.87 -0.82 -0.32 113.55 109.87 2kne h SER 38 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 2kne h SER 38 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2kne h SER 38 CO -0.18 0.01 0.00 0.18 -0.53 0.00 0.00 176.83 176.31 2kne n LEU 39 N -3.13 0.00 0.00 2.23 4.77 0.33 -4.83 117.00 116.38 2kne n LEU 39 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2kne n LEU 39 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2kne n LEU 39 CO 0.23 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2kne n GLY 40 N 0.50 0.43 3.75 -0.72 0.00 -0.13 -5.05 105.19 103.97 2kne n GLY 40 Ca 0.14 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.37 2.61 -0.72 1.61 -0.21 -1.23 -5.07 119.66 115.27 2kne s GLN 41 Ca 0.00 -1.27 0.04 0.00 0.02 0.00 0.00 55.36 54.15 2kne s GLN 41 Cb 0.00 -2.36 0.27 0.00 1.00 0.00 0.00 33.01 31.92 2kne s GLN 41 CO 0.00 0.33 0.93 0.09 -2.12 0.00 0.00 175.29 174.51 2kne n ASN 42 N -1.08 4.41 -4.76 5.90 3.02 -1.26 -4.48 115.26 117.00 2kne n ASN 42 Ca -0.06 -3.48 -0.39 0.00 -0.03 0.00 0.00 54.58 50.62 2kne n ASN 42 Cb 0.59 -0.77 0.01 0.00 -0.61 0.00 0.00 39.78 39.00 2kne n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2kne s PRO 43 N -2.70 3.66 0.70 3.52 0.04 -1.26 -5.01 135.00 133.95 2kne s PRO 43 Ca 0.39 2.24 -0.11 0.00 0.04 0.00 0.00 61.00 63.56 2kne s PRO 43 Cb 0.15 -2.58 0.02 0.00 0.04 0.00 0.00 34.50 32.13 2kne s PRO 43 CO -0.01 -0.77 1.08 0.95 0.04 0.00 0.00 177.00 178.29 2kne s THR 44 N -1.27 3.32 0.20 1.26 -4.23 -1.26 -4.96 115.64 108.69 2kne s THR 44 Ca 0.62 0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 61.37 2kne s THR 44 Cb -0.40 -3.41 0.12 0.00 1.34 0.00 0.00 72.50 70.16 2kne s THR 44 CO 0.50 -0.52 1.84 1.05 -0.54 0.00 0.00 174.62 176.95 2kne h GLU 45 N -0.63 0.78 -0.16 3.99 4.11 -2.03 -1.54 114.58 119.10 2kne h GLU 45 Ca -0.45 -0.05 0.05 0.00 0.07 0.00 0.00 59.36 58.98 2kne h GLU 45 Cb 1.26 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2kne h GLU 45 CO 0.64 0.51 0.26 0.00 0.07 0.00 0.00 179.01 180.49 2kne h ALA 46 N 1.28 1.66 -0.53 1.06 0.00 -2.01 -0.21 119.26 120.51 2kne h ALA 46 Ca 0.26 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2kne h ALA 46 Cb 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2kne h ALA 46 CO -0.10 -0.34 -0.03 1.49 0.00 0.00 0.00 179.25 180.27 2kne h GLU 47 N 0.00 0.93 -0.90 0.00 4.57 -1.65 -1.84 114.58 115.69 2kne h GLU 47 Ca 0.08 -0.29 0.07 0.00 -1.18 0.00 0.00 59.36 58.04 2kne h GLU 47 Cb 0.60 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.03 2kne h GLU 47 CO -0.00 0.94 0.56 -0.07 -1.18 0.00 0.00 179.01 179.25 2kne h LEU 48 N 0.85 0.86 0.29 1.64 4.07 -1.12 -1.70 115.31 120.21 2kne h LEU 48 Ca 0.15 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 2kne h LEU 48 Cb 0.54 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.13 2kne h LEU 48 CO 0.03 0.53 -0.14 -0.61 -1.08 0.00 0.00 178.44 177.17 2kne h GLN 49 N 0.99 -0.38 -0.28 1.13 4.15 -1.53 -2.63 115.11 116.55 2kne h GLN 49 Ca 0.40 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.90 2kne h GLN 49 Cb 0.24 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.96 2kne h GLN 49 CO -0.20 -0.06 -0.03 -0.44 -1.93 0.00 0.00 178.83 176.18 2kne h ASP 50 N -0.95 -0.18 0.07 -0.69 3.32 -1.26 -0.86 116.42 115.87 2kne h ASP 50 Ca -0.04 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2kne h ASP 50 Cb 0.50 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2kne h ASP 50 CO 0.07 -0.05 -0.03 0.24 -1.72 0.00 0.00 179.24 177.74 2kne h MET 51 N 0.05 -0.08 -0.21 3.56 2.86 -1.44 -2.66 114.93 117.01 2kne h MET 51 Ca 0.14 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2kne h MET 51 Cb 0.19 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2kne h MET 51 CO -0.26 0.22 0.12 0.82 1.06 0.00 0.00 176.91 178.87 2kne h ILE 52 N -0.39 1.02 -0.54 -1.22 1.08 -1.41 -2.52 117.51 113.52 2kne h ILE 52 Ca -0.01 -0.08 0.06 0.00 -0.39 0.00 0.00 64.86 64.44 2kne h ILE 52 Cb 0.34 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 2kne h ILE 52 CO 0.01 0.04 0.36 0.78 -0.69 0.00 0.00 178.15 178.66 2kne h ASN 53 N 0.24 0.43 -0.57 1.72 2.35 -1.18 -0.07 115.58 118.49 2kne h ASN 53 Ca 0.08 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 2kne h ASN 53 Cb 0.00 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2kne h ASN 53 CO -0.04 0.28 -0.03 -0.08 -1.65 0.00 0.00 177.43 175.91 2kne h GLU 54 N 0.49 1.03 0.00 0.81 4.57 -1.08 -3.08 114.58 117.32 2kne h GLU 54 Ca 0.23 -0.34 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 2kne h GLU 54 Cb 0.30 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2kne h GLU 54 CO -0.06 1.03 -0.65 0.28 -1.18 0.00 0.00 179.01 178.43 2kne h VAL 55 N 0.92 0.11 -0.95 0.32 2.07 -1.29 -3.43 116.25 113.99 2kne h VAL 55 Ca 0.16 -1.18 -0.57 0.00 0.82 0.00 0.00 66.70 65.93 2kne h VAL 55 Cb 0.59 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 32.07 2kne h VAL 55 CO 0.04 0.06 1.58 -0.62 0.02 0.00 0.00 177.57 178.65 2kne s ASP 56 N -5.78 6.35 0.28 0.57 2.15 -0.09 -4.84 116.67 115.31 2kne s ASP 56 Ca 0.02 -1.66 -0.02 0.00 0.43 0.00 0.00 52.55 51.32 2kne s ASP 56 Cb 0.08 -2.57 0.38 0.00 -0.30 0.00 0.00 42.92 40.50 2kne s ASP 56 CO 0.75 -1.66 1.86 0.00 -0.17 0.00 0.00 175.17 175.95 2kne h ALA 57 N 9.34 1.25 -0.01 3.66 0.00 -1.85 -2.78 119.26 128.87 2kne h ALA 57 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 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 0.56 -0.08 -0.40 0.00 0.00 0.00 179.25 180.73 2kne n ASP 58 N -4.32 0.81 -1.73 0.00 5.75 -1.26 -4.93 116.55 110.88 2kne n ASP 58 Ca 0.06 -0.99 -0.20 0.00 -0.01 0.00 0.00 54.79 53.65 2kne n ASP 58 Cb 0.16 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.18 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 1.21 1.18 0.42 6.12 0.00 -1.05 -4.85 105.19 108.22 2kne n GLY 59 Ca 0.17 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.34 1.30 0.00 1.61 6.94 -1.26 -4.91 115.26 117.59 2kne n ASN 60 Ca -0.21 -1.55 0.00 0.00 -0.02 0.00 0.00 54.58 52.81 2kne n ASN 60 Cb 0.65 -0.05 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 1.10 0.83 3.48 4.83 0.00 -1.26 -5.01 105.19 109.16 2kne n GLY 61 Ca 0.18 0.00 -0.10 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 -3.26 0.00 -0.13 2.61 -4.23 -1.26 -4.72 115.64 104.64 2kne s THR 62 Ca 0.00 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 2kne s THR 62 Cb 0.00 -2.31 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 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 -4.01 2.93 0.33 2.99 1.01 -1.10 -4.80 121.20 118.54 2kne s ILE 63 Ca 0.27 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.27 2kne s ILE 63 Cb 0.01 -2.22 0.05 0.00 0.01 0.00 0.00 42.46 40.30 2kne s ILE 63 CO 0.10 0.53 0.38 0.47 0.00 0.00 0.00 174.94 176.41 2kne n ASP 64 N 3.58 1.50 -0.10 3.58 8.00 -1.26 -2.24 116.55 129.61 2kne n ASP 64 Ca -0.18 -1.95 -0.08 0.00 0.71 0.00 0.00 54.79 53.29 2kne n ASP 64 Cb 0.53 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 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 0.26 0.35 -0.07 1.24 3.04 -2.00 -2.42 116.94 117.34 2kne h PHE 65 Ca -0.17 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.82 2kne h PHE 65 Cb 0.72 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.08 2kne h PHE 65 CO 0.00 0.20 -0.15 -1.35 -2.02 0.00 0.00 178.31 174.99 2kne h PRO 66 N 0.39 -0.20 0.00 6.41 0.11 -2.01 0.58 132.00 137.28 2kne h PRO 66 Ca 0.14 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2kne h PRO 66 Cb 0.03 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.19 2kne h PRO 66 CO -0.08 -0.13 0.00 0.93 -0.21 0.00 0.00 178.00 178.50 2kne h GLU 67 N -0.21 0.00 0.15 1.05 5.08 -1.94 -2.67 114.58 116.04 2kne h GLU 67 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2kne h GLU 67 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2kne h GLU 67 CO -0.19 0.00 -0.07 0.35 -1.00 0.00 0.00 179.01 178.10 2kne h PHE 68 N 0.00 -0.18 -0.46 4.33 3.57 -0.39 -3.34 116.94 120.46 2kne h PHE 68 Ca 0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 2kne h PHE 68 Cb 0.03 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 2kne h PHE 68 CO 0.00 0.07 0.24 -0.07 -2.23 0.00 0.00 178.31 176.32 2kne h LEU 69 N -1.01 0.36 -0.75 0.59 3.38 -1.03 -2.45 115.31 114.39 2kne h LEU 69 Ca -0.02 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.13 2kne h LEU 69 Cb 0.33 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 40.89 2kne h LEU 69 CO 0.03 0.25 -0.14 0.74 0.09 0.00 0.00 178.44 179.42 2kne h THR 70 N 0.48 0.27 -0.34 0.22 2.02 -1.68 -0.41 112.91 113.47 2kne h THR 70 Ca 0.20 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 2kne h THR 70 Cb 0.09 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2kne h THR 70 CO -0.13 0.00 0.00 0.24 0.37 0.00 0.00 175.52 176.01 2kne h MET 71 N 0.02 0.60 -0.85 6.66 2.86 -1.59 -3.13 114.93 119.50 2kne h MET 71 Ca 0.38 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.86 2kne h MET 71 Cb 0.60 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 2kne h MET 71 CO -0.75 0.72 0.55 0.52 1.06 0.00 0.00 176.91 179.01 2kne h MET 72 N 0.40 1.04 -0.28 1.72 2.07 -0.69 0.23 114.93 119.42 2kne h MET 72 Ca 0.10 -0.06 -0.06 0.00 -2.07 0.00 0.00 59.70 57.60 2kne h MET 72 Cb 0.45 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.93 2kne h MET 72 CO 0.02 0.69 -0.08 0.00 1.07 0.00 0.00 176.91 178.61 2kne h ALA 73 N 1.35 1.34 -0.00 6.32 0.00 -1.17 -2.68 119.26 124.41 2kne h ALA 73 Ca 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kne h ALA 73 Cb -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2kne h ALA 73 CO -0.11 0.45 -0.69 0.54 0.00 0.00 0.00 179.25 179.43 2kne n ARG 74 N -4.24 0.14 -1.83 0.00 5.12 -0.94 -4.62 116.66 110.28 2kne n ARG 74 Ca 0.01 -0.10 -0.42 0.00 -1.93 0.00 0.00 57.85 55.41 2kne n ARG 74 Cb 0.28 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 30.09 2kne n ARG 74 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2kne n LYS 75 N -1.34 3.07 -0.54 5.56 4.76 0.77 -4.51 118.16 125.93 2kne n LYS 75 Ca 0.06 -2.77 0.08 0.00 -2.87 0.00 0.00 58.31 52.80 2kne n LYS 75 Cb 0.34 -3.18 0.29 0.00 -1.84 0.00 0.00 35.03 30.64 2kne n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2kne n MET 76 N 5.46 3.48 -1.62 1.97 2.81 -1.26 -4.97 117.12 122.99 2kne n MET 76 Ca 0.51 -2.84 -0.49 0.00 -1.81 0.00 0.00 57.70 53.07 2kne n MET 76 Cb 0.37 -1.89 -0.05 0.00 -0.71 0.00 0.00 33.22 30.94 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 0.05 1.57 -3.00 0.03 4.81 -1.26 -4.90 118.16 115.45 2kne n LYS 77 Ca 0.22 0.56 -0.43 0.00 -0.87 0.00 0.00 58.31 57.80 2kne n LYS 77 Cb 0.92 -2.25 -0.06 0.00 0.02 0.00 0.00 35.03 33.65 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 0.64 6.35 -0.27 3.14 1.01 -1.26 -5.02 116.67 121.25 2kne s ASP 78 Ca 0.82 -0.31 -0.17 0.00 0.71 0.00 0.00 52.55 53.60 2kne s ASP 78 Cb -0.84 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 40.70 2kne s ASP 78 CO 0.43 -0.93 0.47 -0.89 0.21 0.00 0.00 175.17 174.46 2kne s THR 79 N 3.21 5.10 -0.30 -1.27 2.01 -1.26 -5.01 115.64 118.11 2kne s THR 79 Ca 0.26 0.72 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 2kne s THR 79 Cb -0.14 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 2kne s THR 79 CO 0.20 0.07 1.69 -1.81 -0.69 0.00 0.00 174.62 174.08 2kne s ASP 80 N 1.60 6.12 0.57 3.53 1.01 -1.26 -4.80 116.67 123.44 2kne s ASP 80 Ca 0.19 1.37 0.05 0.00 0.71 0.00 0.00 52.55 54.87 2kne s ASP 80 Cb -0.16 -2.53 0.18 0.00 1.01 0.00 0.00 42.92 41.42 2kne s ASP 80 CO 0.10 -1.52 0.93 -1.20 0.21 0.00 0.00 175.17 173.69 2kne n SER 81 N 9.46 0.00 0.01 0.27 7.64 -1.26 0.12 113.62 129.86 2kne n SER 81 Ca 0.21 0.49 -0.06 0.00 1.01 0.00 0.00 58.87 60.51 2kne n SER 81 Cb 0.46 -0.05 0.12 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.04 1.43 3.07 -2.01 -3.13 114.58 113.42 2kne h GLU 82 Ca 0.10 -0.26 0.26 0.00 -0.50 0.00 0.00 59.36 58.96 2kne h GLU 82 Cb 1.94 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 29.75 2kne h GLU 82 CO -0.00 0.83 0.66 1.49 -1.40 0.00 0.00 179.01 180.59 2kne h GLU 83 N 0.42 0.42 0.00 2.33 4.81 0.58 0.26 114.58 123.41 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 0.89 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.18 2kne h GLU 83 CO 0.08 0.28 -0.61 -0.85 -0.73 0.00 0.00 179.01 177.17 2kne n GLU 84 N -4.68 0.20 0.00 1.92 0.28 -1.19 -3.82 120.64 113.35 2kne n GLU 84 Ca 0.26 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 2kne n GLU 84 Cb 0.85 -1.61 0.00 0.00 1.43 0.00 0.00 31.44 32.11 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 -1.89 0.00 -0.27 3.84 2.08 0.93 -1.41 119.36 122.63 2kne n ILE 85 Ca 0.04 1.12 -0.05 0.00 0.56 0.00 0.00 62.75 64.42 2kne n ILE 85 Cb 0.40 -2.05 0.10 0.00 -0.75 0.00 0.00 39.64 37.34 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 -0.74 0.38 3.08 -1.78 -2.96 114.38 113.50 2kne h ARG 86 Ca 0.00 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 2kne h ARG 86 Cb 0.00 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 2kne h ARG 86 CO 0.00 0.92 0.31 0.93 -1.07 0.00 0.00 179.97 181.06 2kne h GLU 87 N 1.12 1.10 0.00 0.04 4.39 -1.68 -1.82 114.58 117.72 2kne h GLU 87 Ca 0.26 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2kne h GLU 87 Cb 0.20 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2kne h GLU 87 CO -0.02 0.89 0.00 0.00 -1.16 0.00 0.00 179.01 178.72 2kne h ALA 88 N 1.15 1.00 -0.01 3.43 0.00 -1.07 -2.41 119.26 121.36 2kne h ALA 88 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2kne h ALA 88 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kne h ALA 88 CO -0.02 0.00 -0.11 0.35 0.00 0.00 0.00 179.25 179.47 2kne h PHE 89 N 0.00 0.13 -0.87 0.00 3.57 -1.32 -3.10 116.94 115.35 2kne h PHE 89 Ca 0.00 -0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.53 2kne h PHE 89 Cb 0.07 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.72 2kne h PHE 89 CO 0.00 0.80 0.51 -0.09 -2.23 0.00 0.00 178.31 177.31 2kne h ARG 90 N -0.57 0.83 -0.43 1.11 2.43 -1.43 0.28 114.38 116.60 2kne h ARG 90 Ca -0.01 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 2kne h ARG 90 Cb 0.82 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 2kne h ARG 90 CO 0.02 0.55 0.09 0.28 -1.51 0.00 0.00 179.97 179.40 2kne h VAL 91 N 0.85 1.24 -0.37 0.20 2.07 -1.64 -3.04 116.25 115.55 2kne h VAL 91 Ca 0.42 -0.84 -0.14 0.00 0.82 0.00 0.00 66.70 66.96 2kne h VAL 91 Cb 0.38 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2kne h VAL 91 CO -0.25 0.29 -0.33 -0.26 0.02 0.00 0.00 177.57 177.05 2kne h PHE 92 N 0.56 0.98 -1.63 1.57 -1.00 -1.25 -3.31 116.94 112.86 2kne h PHE 92 Ca 0.13 -0.27 -0.71 0.00 2.81 0.00 0.00 57.97 59.94 2kne h PHE 92 Cb 0.34 -0.22 -0.14 0.00 3.61 0.00 0.00 35.95 39.55 2kne h PHE 92 CO 0.02 1.05 1.66 0.34 -1.61 0.00 0.00 178.31 179.76 2kne s ASP 93 N -6.80 6.93 0.12 2.17 -1.08 0.90 -4.63 116.67 114.27 2kne s ASP 93 Ca -0.10 -2.65 -0.20 0.00 -0.52 0.00 0.00 52.55 49.08 2kne s ASP 93 Cb 0.12 -2.48 -0.07 0.00 -1.46 0.00 0.00 42.92 39.04 2kne s ASP 93 CO 0.86 -0.97 1.74 0.50 0.52 0.00 0.00 175.17 177.82 2kne h LYS 94 N 7.55 0.08 -0.23 4.34 3.64 -1.70 -2.61 116.57 127.65 2kne h LYS 94 Ca 0.35 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2kne h LYS 94 Cb 0.89 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2kne h LYS 94 CO 1.33 0.05 0.00 -0.40 -2.27 0.00 0.00 179.45 178.16 2kne n ASP 95 N -5.09 1.98 -3.83 4.20 5.68 -1.26 -4.94 116.55 113.30 2kne n ASP 95 Ca -0.04 -1.79 -0.24 0.00 -0.50 0.00 0.00 54.79 52.22 2kne n ASP 95 Cb 0.07 -0.15 0.01 0.00 -1.14 0.00 0.00 41.12 39.92 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 1.18 -0.30 0.71 6.12 0.00 -0.98 -4.85 105.19 107.07 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 2.09 0.00 1.61 6.94 -1.26 -4.89 115.26 116.76 2kne n ASN 97 Ca -0.25 -1.86 0.00 0.00 -0.02 0.00 0.00 54.58 52.45 2kne n ASN 97 Cb 0.65 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 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 1.18 0.85 3.04 4.83 0.00 -1.26 -5.02 105.19 108.81 2kne n GLY 98 Ca 0.16 0.00 -0.08 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 -3.31 0.34 -0.35 1.61 2.02 -1.26 -4.57 117.35 111.82 2kne s TYR 99 Ca 0.00 -0.70 -0.18 0.00 -0.37 0.00 0.00 57.07 55.82 2kne s TYR 99 Cb 0.00 -0.25 -0.00 0.00 -0.40 0.00 0.00 41.96 41.31 2kne s TYR 99 CO 0.00 -0.28 0.50 0.42 -1.57 0.00 0.00 175.55 174.63 2kne s ILE 100 N -2.43 5.02 0.29 2.71 1.01 -0.56 -4.68 121.20 122.57 2kne s ILE 100 Ca -0.07 0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.77 2kne s ILE 100 Cb -0.03 -3.96 -0.07 0.00 0.01 0.00 0.00 42.46 38.41 2kne s ILE 100 CO -0.04 -0.23 0.63 -0.55 0.00 0.00 0.00 174.94 174.75 2kne s SER 101 N 1.77 6.61 0.16 3.58 0.15 -1.26 -2.47 113.70 122.24 2kne s SER 101 Ca 0.18 1.01 -0.16 0.00 0.70 0.00 0.00 55.95 57.68 2kne s SER 101 Cb -0.16 -2.26 0.05 0.00 -1.71 0.00 0.00 66.02 61.95 2kne s SER 101 CO 0.13 -0.18 1.77 0.00 1.20 0.00 0.00 173.24 176.16 2kne h ALA 102 N 2.10 0.46 -0.82 5.45 0.00 -1.97 -1.32 119.26 123.17 2kne h ALA 102 Ca -0.47 0.02 0.15 0.00 0.00 0.00 0.00 54.91 54.61 2kne h ALA 102 Cb 1.18 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2kne h ALA 102 CO 0.67 -0.20 0.54 0.00 0.00 0.00 0.00 179.25 180.26 2kne h ALA 103 N 1.21 2.02 -0.32 0.00 0.00 -1.99 0.10 119.26 120.27 2kne h ALA 103 Ca 0.16 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 2kne h ALA 103 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kne h ALA 103 CO -0.13 -0.25 -0.47 0.93 0.00 0.00 0.00 179.25 179.34 2kne h GLU 104 N 0.51 0.87 -0.18 0.00 5.08 -1.60 -3.28 114.58 116.00 2kne h GLU 104 Ca 0.41 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2kne h GLU 104 Cb 0.83 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2kne h GLU 104 CO -0.15 1.15 0.02 1.25 -1.00 0.00 0.00 179.01 180.28 2kne h LEU 105 N 0.69 0.29 -1.63 1.33 5.85 0.02 -3.10 115.31 118.76 2kne h LEU 105 Ca 0.04 -0.27 0.38 0.00 0.84 0.00 0.00 57.88 58.86 2kne h LEU 105 Cb 1.07 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.93 2kne h LEU 105 CO 0.11 0.49 0.87 0.08 -0.34 0.00 0.00 178.44 179.65 2kne h ARG 106 N 0.07 0.13 0.00 1.25 -0.00 -1.22 1.06 114.38 115.68 2kne h ARG 106 Ca 0.05 -0.01 -0.12 0.00 -0.00 0.00 0.00 59.98 59.91 2kne h ARG 106 Cb 0.33 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 30.25 2kne h ARG 106 CO 0.00 0.09 -0.56 1.25 -0.00 0.00 0.00 179.97 180.76 2kne h HIS 107 N 0.14 0.00 -0.88 4.08 2.76 -1.65 -3.17 115.15 116.43 2kne h HIS 107 Ca 0.70 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.92 2kne h HIS 107 Cb 2.35 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 31.25 2kne h HIS 107 CO -0.00 0.56 0.56 0.28 -1.30 0.00 0.00 177.93 178.02 2kne h VAL 108 N 0.00 1.11 -0.52 5.26 2.07 0.11 -2.69 116.25 121.58 2kne h VAL 108 Ca -0.01 -0.36 0.09 0.00 0.82 0.00 0.00 66.70 67.24 2kne h VAL 108 Cb 1.05 -0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 2kne h VAL 108 CO 0.07 0.19 0.11 0.24 0.02 0.00 0.00 177.57 178.21 2kne h MET 109 N 1.06 0.24 -0.76 1.57 2.86 -1.55 -1.77 114.93 116.59 2kne h MET 109 Ca 0.36 -0.01 0.11 0.00 -2.06 0.00 0.00 59.70 58.10 2kne h MET 109 Cb 0.07 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.62 2kne h MET 109 CO -0.14 0.16 0.50 1.79 1.06 0.00 0.00 176.91 180.28 2kne h THR 110 N 0.25 0.89 -0.38 2.22 1.35 -1.63 0.89 112.91 116.50 2kne h THR 110 Ca 0.26 -0.20 -0.09 0.00 -0.55 0.00 0.00 66.41 65.83 2kne h THR 110 Cb 0.36 0.25 -0.02 0.00 -1.73 0.00 0.00 68.15 67.01 2kne h THR 110 CO -0.34 0.11 -0.15 -0.55 -0.25 0.00 0.00 175.52 174.34 2kne h ASN 111 N 0.59 0.68 0.87 5.36 7.08 -1.32 -2.72 115.58 126.12 2kne h ASN 111 Ca 0.36 -0.21 0.00 0.00 -3.08 0.00 0.00 56.30 53.37 2kne h ASN 111 Cb 0.59 -0.18 0.00 0.00 -2.08 0.00 0.00 38.32 36.64 2kne h ASN 111 CO -0.13 0.85 -0.25 0.18 -2.08 0.00 0.00 177.43 176.00 2kne n LEU 112 N -4.15 0.36 -1.20 6.14 4.77 0.13 -4.95 117.00 118.09 2kne n LEU 112 Ca 0.01 0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 56.22 2kne n LEU 112 Cb 0.37 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 2kne n LEU 112 CO 0.43 0.01 0.02 0.61 -1.33 0.00 0.00 177.39 177.13 2kne n GLY 113 N 1.45 0.37 0.12 -0.72 0.00 -0.16 -4.96 105.19 101.29 2kne n GLY 113 Ca 0.06 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.55 0.00 -6.62 1.61 4.57 -1.76 -3.48 114.58 108.35 2kne h GLU 114 Ca -0.17 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.49 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 0.17 0.16 -0.98 1.17 -1.18 0.00 0.00 179.01 178.35 2kne n LYS 115 N -2.84 -0.71 -2.54 1.92 3.00 -1.26 -4.91 118.16 110.82 2kne n LYS 115 Ca -0.03 0.25 -0.33 0.00 -0.00 0.00 0.00 58.31 58.19 2kne n LYS 115 Cb 0.68 -3.26 -0.04 0.00 0.00 0.00 0.00 35.03 32.41 2kne n LYS 115 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2kne s LEU 116 N -7.02 3.81 0.83 3.14 2.34 -1.26 -5.08 118.68 115.43 2kne s LEU 116 Ca 0.48 1.82 -0.10 0.00 0.06 0.00 0.00 54.13 56.40 2kne s LEU 116 Cb -0.22 -4.55 0.14 0.00 -0.56 0.00 0.00 46.19 41.00 2kne s LEU 116 CO 0.92 -0.71 1.15 0.42 -1.06 0.00 0.00 176.35 177.08 2kne s THR 117 N -2.14 2.10 0.20 5.48 -4.23 -1.26 -4.94 115.64 110.84 2kne s THR 117 Ca 0.65 -0.22 -0.11 0.00 -1.18 0.00 0.00 61.69 60.83 2kne s THR 117 Cb -0.14 -2.88 0.11 0.00 1.34 0.00 0.00 72.50 70.93 2kne s THR 117 CO 0.21 0.00 1.78 -0.78 -0.54 0.00 0.00 174.62 175.30 2kne h ASP 118 N -1.06 0.40 -0.95 3.99 1.82 -2.01 -2.21 116.42 116.41 2kne h ASP 118 Ca -0.42 0.04 0.11 0.00 -0.39 0.00 0.00 57.03 56.37 2kne h ASP 118 Cb 1.27 -0.03 -0.08 0.00 0.68 0.00 0.00 39.33 41.16 2kne h ASP 118 CO 0.46 0.26 0.58 -0.08 -1.61 0.00 0.00 179.24 178.85 2kne h GLU 119 N 0.55 0.90 -0.01 0.28 4.57 -2.00 -1.18 114.58 117.69 2kne h GLU 119 Ca 0.27 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.30 2kne h GLU 119 Cb 0.20 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2kne h GLU 119 CO -0.20 0.60 -0.44 0.93 -1.18 0.00 0.00 179.01 178.72 2kne h GLU 120 N 0.93 0.01 -0.51 1.92 5.08 -1.77 -0.19 114.58 120.05 2kne h GLU 120 Ca 0.47 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.79 2kne h GLU 120 Cb 0.45 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2kne h GLU 120 CO -0.26 0.45 0.20 0.28 -1.00 0.00 0.00 179.01 178.67 2kne h VAL 121 N 0.01 1.22 -0.07 3.13 2.07 -0.99 -1.80 116.25 119.82 2kne h VAL 121 Ca -0.00 -0.68 -0.20 0.00 0.82 0.00 0.00 66.70 66.64 2kne h VAL 121 Cb 0.78 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2kne h VAL 121 CO 0.06 0.26 -0.79 0.44 0.02 0.00 0.00 177.57 177.55 2kne h ASP 122 N 0.69 0.55 0.52 0.57 3.32 -1.34 -3.30 116.42 117.44 2kne h ASP 122 Ca 0.17 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 2kne h ASP 122 Cb 0.21 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.60 2kne h ASP 122 CO -0.01 1.15 -0.25 -0.08 -1.72 0.00 0.00 179.24 178.32 2kne h GLU 123 N 0.30 -0.67 -0.10 3.56 4.57 -0.72 -2.87 114.58 118.65 2kne h GLU 123 Ca -0.05 0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 2kne h GLU 123 Cb 1.39 0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 30.07 2kne h GLU 123 CO 0.14 -0.43 -0.52 0.52 -1.18 0.00 0.00 179.01 177.54 2kne h MET 124 N -0.73 -0.56 -0.97 1.92 2.86 -1.46 -1.37 114.93 114.62 2kne h MET 124 Ca -0.07 0.04 0.20 0.00 -2.06 0.00 0.00 59.70 57.80 2kne h MET 124 Cb 0.55 0.13 -0.11 0.00 0.06 0.00 0.00 31.60 32.23 2kne h MET 124 CO 0.12 -0.37 0.55 -0.84 1.06 0.00 0.00 176.91 177.43 2kne h ILE 125 N -0.58 0.66 -0.47 -1.22 3.07 -1.63 0.38 117.51 117.71 2kne h ILE 125 Ca 0.03 -0.23 -0.02 0.00 1.55 0.00 0.00 64.86 66.18 2kne h ILE 125 Cb 0.67 -0.07 -0.02 0.00 -0.27 0.00 0.00 36.82 37.12 2kne h ILE 125 CO -0.41 0.12 0.20 0.03 -1.05 0.00 0.00 178.15 177.04 2kne h ARG 126 N 0.67 0.67 -0.95 0.16 3.08 -1.03 -0.50 114.38 116.49 2kne h ARG 126 Ca 0.57 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.59 2kne h ARG 126 Cb 0.93 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.79 2kne h ARG 126 CO -0.41 0.55 0.61 0.93 -1.07 0.00 0.00 179.97 180.57 2kne h GLU 127 N 0.67 1.07 0.00 0.04 4.39 -0.35 -2.51 114.58 117.88 2kne h GLU 127 Ca 0.16 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2kne h GLU 127 Cb 0.12 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2kne h GLU 127 CO -0.02 0.71 -0.98 0.00 -1.16 0.00 0.00 179.01 177.55 2kne n ALA 128 N -2.36 3.75 -2.24 3.43 0.00 -1.03 -4.80 120.51 117.25 2kne n ALA 128 Ca 0.14 -0.45 -0.32 0.00 0.00 0.00 0.00 53.44 52.81 2kne n ALA 128 Cb 0.18 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 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 -3.56 5.65 0.10 0.00 2.15 -0.22 -4.75 116.67 116.04 2kne s ASP 129 Ca 0.05 -1.23 0.20 0.00 0.43 0.00 0.00 52.55 52.00 2kne s ASP 129 Cb 0.15 -2.57 0.81 0.00 -0.30 0.00 0.00 42.92 41.01 2kne s ASP 129 CO 0.81 -2.32 1.61 2.30 -0.17 0.00 0.00 175.17 177.40 2kne n ILE 130 N 7.46 0.83 -3.85 4.11 -5.35 -1.26 -4.66 119.36 116.63 2kne n ILE 130 Ca 0.40 0.19 -0.12 0.00 -0.27 0.00 0.00 62.75 62.95 2kne n ILE 130 Cb 0.48 -0.98 -0.12 0.00 -1.74 0.00 0.00 39.64 37.27 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 -3.51 -0.06 -0.21 7.28 -4.77 -1.26 -5.06 116.67 109.07 2kne s ASP 131 Ca 0.07 0.09 -0.04 0.00 -3.30 0.00 0.00 52.55 49.38 2kne s ASP 131 Cb 0.10 0.22 -0.12 0.00 -1.09 0.00 0.00 42.92 42.03 2kne s ASP 131 CO 0.35 -0.12 2.14 0.61 0.70 0.00 0.00 175.17 178.85 2kne n GLY 132 N 2.62 2.31 0.01 2.12 0.00 -1.26 -4.16 105.19 106.83 2kne n GLY 132 Ca -0.15 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 3.10 0.59 0.00 1.61 5.75 -1.26 -4.95 116.55 121.39 2kne n ASP 133 Ca 0.28 -0.27 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 2kne n ASP 133 Cb 0.40 0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 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 1.46 0.68 3.13 6.12 0.00 -1.26 -5.00 105.19 110.32 2kne n GLY 134 Ca 0.05 0.00 -0.14 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 -0.28 0.72 -0.30 1.61 -0.21 -1.26 -4.77 119.66 115.17 2kne s GLN 135 Ca 0.00 -0.99 -0.12 0.00 0.02 0.00 0.00 55.36 54.27 2kne s GLN 135 Cb 0.00 -0.45 -0.04 0.00 1.00 0.00 0.00 33.01 33.53 2kne s GLN 135 CO 0.00 0.07 0.23 0.08 -2.12 0.00 0.00 175.29 173.56 2kne s VAL 136 N -1.98 5.28 0.79 1.09 1.01 -1.03 -4.91 120.40 120.65 2kne s VAL 136 Ca -0.01 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 2kne s VAL 136 Cb -0.06 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 32.81 2kne s VAL 136 CO -0.00 0.13 1.12 0.20 0.00 0.00 0.00 175.10 176.54 2kne s ASN 137 N 1.74 4.20 0.24 3.32 0.02 -1.26 -1.50 114.94 121.70 2kne s ASN 137 Ca 0.08 0.27 -0.07 0.00 -1.02 0.00 0.00 52.86 52.12 2kne s ASN 137 Cb -0.17 -0.68 0.22 0.00 0.02 0.00 0.00 41.25 40.65 2kne s ASN 137 CO 0.11 -2.01 1.88 0.22 0.02 0.00 0.00 177.10 177.32 2kne h TYR 138 N -0.93 1.25 -0.44 2.20 3.20 -1.98 -1.73 116.97 118.52 2kne h TYR 138 Ca -0.43 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 2kne h TYR 138 Cb 1.28 -0.41 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2kne h TYR 138 CO -0.20 0.83 0.21 0.93 -1.64 0.00 0.00 178.16 178.29 2kne h GLU 139 N 1.30 0.64 -0.63 1.82 5.08 -1.98 -1.67 114.58 119.14 2kne h GLU 139 Ca 0.33 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2kne h GLU 139 Cb -0.04 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2kne h GLU 139 CO -0.06 0.55 0.21 0.93 -1.00 0.00 0.00 179.01 179.64 2kne h GLU 140 N 0.57 0.95 -0.40 2.33 5.08 -1.80 -1.52 114.58 119.79 2kne h GLU 140 Ca 0.15 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2kne h GLU 140 Cb 0.13 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2kne h GLU 140 CO -0.02 0.81 0.23 0.35 -1.00 0.00 0.00 179.01 179.39 2kne h PHE 141 N 0.93 0.54 -0.09 4.33 3.57 -0.95 -2.78 116.94 122.49 2kne h PHE 141 Ca 0.21 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2kne h PHE 141 Cb 0.25 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 2kne h PHE 141 CO 0.02 0.40 0.01 0.28 -2.23 0.00 0.00 178.31 176.78 2kne h VAL 142 N 0.53 1.23 -0.73 1.41 2.07 -1.02 -1.75 116.25 117.99 2kne h VAL 142 Ca 0.14 -0.73 0.16 0.00 0.82 0.00 0.00 66.70 67.09 2kne h VAL 142 Cb 0.02 1.54 -0.11 0.00 -1.52 0.00 0.00 31.29 31.23 2kne h VAL 142 CO -0.03 0.21 0.16 1.56 0.02 0.00 0.00 177.57 179.49 2kne h GLN 143 N -0.10 0.24 -0.18 1.57 1.08 -1.21 0.70 115.11 117.21 2kne h GLN 143 Ca 0.03 -0.01 -0.20 0.00 -1.45 0.00 0.00 58.65 57.01 2kne h GLN 143 Cb 0.32 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2kne h GLN 143 CO 0.00 0.16 -0.70 0.52 -0.95 0.00 0.00 178.83 177.87 2kne h MET 144 N 0.25 0.75 -0.01 1.46 2.86 -1.40 -2.87 114.93 115.96 2kne h MET 144 Ca 0.41 -0.56 -0.13 0.00 -2.06 0.00 0.00 59.70 57.36 2kne h MET 144 Cb 0.71 0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.48 2kne h MET 144 CO -0.52 1.18 -0.50 0.52 1.06 0.00 0.00 176.91 178.65 2kne h MET 145 N 0.53 0.36 -1.02 1.72 2.86 -0.46 -3.27 114.93 115.64 2kne h MET 145 Ca -0.03 -0.37 -0.29 0.00 -2.06 0.00 0.00 59.70 56.95 2kne h MET 145 Cb 1.31 0.10 -0.17 0.00 0.06 0.00 0.00 31.60 32.90 2kne h MET 145 CO 0.14 1.05 0.37 2.41 1.06 0.00 0.00 176.91 181.94 2kne n THR 146 N -4.30 2.26 -2.64 2.22 -1.04 0.24 -4.84 114.28 106.18 2kne n THR 146 Ca -0.10 -1.10 -0.42 0.00 -2.04 0.00 0.00 64.05 60.39 2kne n THR 146 Cb 0.62 -0.73 -0.03 0.00 -1.82 0.00 0.00 70.33 68.37 2kne n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kne s ALA 147 N -1.85 2.88 0.00 2.41 0.00 -1.08 -4.93 121.76 119.19 2kne s ALA 147 Ca 0.32 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 49.88 2kne s ALA 147 Cb 0.27 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.95 2kne s ALA 147 CO 0.06 -3.47 0.00 1.17 0.00 0.00 0.00 175.76 173.52