#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 1.05 0.00 0.00 3.32 -2.02 -3.45 116.42 115.32 2kne h ASP 2 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2kne h ASP 2 Cb 0.00 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.28 2kne h ASP 2 CO 0.00 0.90 0.00 1.67 -1.72 0.00 0.00 179.24 180.09 2kne n GLN 3 N -4.34 0.00 -0.00 3.56 0.00 -1.26 -4.88 117.38 110.46 2kne n GLN 3 Ca 0.07 0.00 0.02 0.00 -0.00 0.00 0.00 57.00 57.09 2kne n GLN 3 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.36 2kne n GLN 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2kne n LEU 4 N 0.00 0.06 -4.74 1.69 4.77 -1.26 -5.01 117.00 112.51 2kne n LEU 4 Ca 0.00 -0.17 -0.40 0.00 -0.03 0.00 0.00 56.01 55.41 2kne n LEU 4 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2kne n LEU 4 CO 0.00 0.01 0.62 -0.89 -1.33 0.00 0.00 177.39 175.80 2kne s THR 5 N -1.97 4.42 0.11 -5.08 2.01 -1.26 -4.97 115.64 108.90 2kne s THR 5 Ca -0.00 1.98 -0.33 0.00 0.31 0.00 0.00 61.69 63.65 2kne s THR 5 Cb 0.03 -4.28 -0.12 0.00 0.01 0.00 0.00 72.50 68.14 2kne s THR 5 CO 0.16 0.39 1.57 -0.08 -0.69 0.00 0.00 174.62 175.97 2kne h GLU 6 N 5.12 -0.64 -0.78 4.92 4.81 -2.02 -1.91 114.58 124.08 2kne h GLU 6 Ca -0.44 0.04 0.30 0.00 -0.13 0.00 0.00 59.36 59.14 2kne h GLU 6 Cb 1.21 0.15 -0.11 0.00 0.63 0.00 0.00 28.75 30.62 2kne h GLU 6 CO 0.70 -0.43 0.46 -1.91 -0.73 0.00 0.00 179.01 177.10 2kne n GLU 7 N -5.47 -0.04 0.01 1.92 2.13 -1.26 0.32 120.64 118.25 2kne n GLU 7 Ca -0.07 0.92 -0.06 0.00 0.66 0.00 0.00 57.16 58.62 2kne n GLU 7 Cb 0.39 -1.71 0.14 0.00 0.27 0.00 0.00 31.44 30.53 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 0.50 -0.54 5.31 4.20 -1.74 -2.02 115.11 120.81 2kne h GLN 8 Ca 0.60 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 59.10 2kne h GLN 8 Cb 1.70 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.44 2kne h GLN 8 CO -0.46 0.79 0.31 0.82 -0.67 0.00 0.00 178.83 179.62 2kne h ILE 9 N 0.42 1.03 -0.23 2.54 2.04 0.50 -0.51 117.51 123.31 2kne h ILE 9 Ca 0.04 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 65.75 2kne h ILE 9 Cb 0.83 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 2kne h ILE 9 CO 0.07 0.11 -0.14 0.00 0.00 0.00 0.00 178.15 178.19 2kne h ALA 10 N 1.25 0.04 -0.18 1.87 0.00 -1.18 0.49 119.26 121.55 2kne h ALA 10 Ca 0.22 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kne h ALA 10 Cb 0.05 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2kne h ALA 10 CO -0.11 -0.55 0.11 1.49 0.00 0.00 0.00 179.25 180.19 2kne h GLU 11 N -0.12 0.23 -0.89 0.00 4.57 -0.79 -2.86 114.58 114.72 2kne h GLU 11 Ca 0.13 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2kne h GLU 11 Cb 0.31 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 2kne h GLU 11 CO -0.31 0.15 0.50 0.74 -1.18 0.00 0.00 179.01 178.91 2kne h PHE 12 N 0.23 1.20 -0.01 0.92 -1.00 -0.82 -2.97 116.94 114.50 2kne h PHE 12 Ca 0.07 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.86 2kne h PHE 12 Cb -0.02 -0.39 -0.06 0.00 3.61 0.00 0.00 35.95 39.10 2kne h PHE 12 CO -0.07 0.82 -0.40 -0.22 -1.61 0.00 0.00 178.31 176.83 2kne h LYS 13 N 1.23 -0.53 -0.87 1.51 3.64 -0.67 -0.84 116.57 120.04 2kne h LYS 13 Ca 0.31 0.04 0.22 0.00 -1.27 0.00 0.00 60.65 59.95 2kne h LYS 13 Cb 0.00 0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 31.82 2kne h LYS 13 CO -0.05 -0.35 0.32 0.93 -2.27 0.00 0.00 179.45 178.02 2kne h GLU 14 N -0.55 0.31 -0.97 1.90 5.08 -1.44 0.20 114.58 119.11 2kne h GLU 14 Ca 0.05 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 2kne h GLU 14 Cb 0.63 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 2kne h GLU 14 CO -0.31 0.21 0.61 0.00 -1.00 0.00 0.00 179.01 178.51 2kne h ALA 15 N 1.72 1.65 -0.81 3.43 0.00 -1.11 -2.35 119.26 121.80 2kne h ALA 15 Ca 0.54 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.54 2kne h ALA 15 Cb 1.03 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 2kne h ALA 15 CO -0.57 0.08 0.49 0.74 0.00 0.00 0.00 179.25 179.99 2kne h PHE 16 N 0.86 0.90 0.00 0.00 -1.00 -0.26 -0.97 116.94 116.47 2kne h PHE 16 Ca 0.50 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.30 2kne h PHE 16 Cb 0.64 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.92 2kne h PHE 16 CO -0.00 0.44 0.00 1.03 -1.61 0.00 0.00 178.31 178.17 2kne h SER 17 N 0.88 0.00 -0.60 2.17 0.87 -1.46 -2.46 113.55 112.95 2kne h SER 17 Ca 0.36 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.85 2kne h SER 17 Cb 0.19 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2kne h SER 17 CO -0.18 0.00 0.12 -0.07 -0.53 0.00 0.00 176.83 176.17 2kne h LEU 18 N 0.00 0.94 0.00 2.23 3.38 -1.21 -3.28 115.31 117.37 2kne h LEU 18 Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2kne h LEU 18 Cb 0.16 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2kne h LEU 18 CO 0.00 0.95 -1.07 2.22 0.09 0.00 0.00 178.44 180.63 2kne n PHE 19 N -4.32 0.00 -2.27 1.13 1.16 -1.13 -4.87 117.46 107.16 2kne n PHE 19 Ca 0.03 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.24 2kne n PHE 19 Cb 0.26 -0.13 -0.03 0.00 -1.61 0.00 0.00 39.48 37.97 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 -2.90 5.71 -0.00 5.98 1.01 -0.94 -4.83 116.67 120.69 2kne s ASP 20 Ca 0.02 -0.44 -0.25 0.00 0.71 0.00 0.00 52.55 52.59 2kne s ASP 20 Cb 0.11 -2.55 -0.19 0.00 1.01 0.00 0.00 42.92 41.30 2kne s ASP 20 CO 0.62 -2.16 1.32 0.11 0.21 0.00 0.00 175.17 175.27 2kne h LYS 21 N 11.86 0.05 -0.59 8.23 1.79 -1.89 -3.29 116.57 132.73 2kne h LYS 21 Ca -0.10 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2kne h LYS 21 Cb 1.07 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2kne h LYS 21 CO 1.27 0.48 0.00 -0.40 -1.08 0.00 0.00 179.45 179.72 2kne n ASP 22 N -4.83 4.77 -3.73 0.86 5.75 -1.26 -4.96 116.55 113.14 2kne n ASP 22 Ca -0.08 -2.55 -0.23 0.00 -0.01 0.00 0.00 54.79 51.92 2kne n ASP 22 Cb 0.24 -0.58 -0.07 0.00 -1.03 0.00 0.00 41.12 39.69 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 -0.13 0.12 6.12 0.00 -1.24 -4.75 105.19 106.20 2kne n GLY 23 Ca 0.25 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.81 0.51 0.00 1.61 5.75 -1.26 -4.90 116.55 116.44 2kne n ASP 24 Ca -0.16 -0.55 0.00 0.00 -0.01 0.00 0.00 54.79 54.07 2kne n ASP 24 Cb 0.45 -0.06 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 1.30 0.86 3.06 6.12 0.00 -1.26 -5.04 105.19 110.23 2kne n GLY 25 Ca 0.14 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 -2.84 0.35 -0.19 2.61 -4.23 -1.26 -4.83 115.64 105.25 2kne s THR 26 Ca 0.00 -1.33 -0.17 0.00 -1.18 0.00 0.00 61.69 59.01 2kne s THR 26 Cb 0.00 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 2kne s THR 26 CO 0.00 -0.64 0.45 -0.63 -0.54 0.00 0.00 174.62 173.26 2kne s ILE 27 N -2.35 5.16 0.36 2.99 1.09 -0.96 -4.95 121.20 122.55 2kne s ILE 27 Ca -0.05 0.83 0.09 0.00 -1.10 0.00 0.00 60.65 60.42 2kne s ILE 27 Cb -0.03 -3.78 -0.06 0.00 -1.06 0.00 0.00 42.46 37.52 2kne s ILE 27 CO -0.03 0.23 0.02 0.28 -0.10 0.00 0.00 174.94 175.34 2kne s THR 28 N 1.35 2.43 0.46 2.92 -1.32 -1.26 -2.53 115.64 117.69 2kne s THR 28 Ca 0.22 -1.97 0.16 0.00 -1.21 0.00 0.00 61.69 58.89 2kne s THR 28 Cb -0.15 -2.83 0.33 0.00 -1.51 0.00 0.00 72.50 68.33 2kne s THR 28 CO 0.09 -0.14 2.01 0.71 -2.21 0.00 0.00 174.62 175.08 2kne h THR 29 N 1.78 0.89 0.64 5.08 1.35 -1.92 -2.02 112.91 118.70 2kne h THR 29 Ca -0.43 -0.10 -0.03 0.00 -0.55 0.00 0.00 66.41 65.30 2kne h THR 29 Cb 1.25 0.59 0.01 0.00 -1.73 0.00 0.00 68.15 68.26 2kne h THR 29 CO 0.70 0.05 -0.31 0.50 -0.25 0.00 0.00 175.52 176.21 2kne h LYS 30 N 0.28 -0.83 -0.04 4.72 3.64 -1.99 -2.44 116.57 119.91 2kne h LYS 30 Ca 0.22 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 2kne h LYS 30 Cb 0.52 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2kne h LYS 30 CO -0.05 -0.56 -0.10 1.05 -2.27 0.00 0.00 179.45 177.52 2kne h GLU 31 N -0.87 0.06 0.73 1.90 4.11 -1.86 -2.13 114.58 116.54 2kne h GLU 31 Ca -0.09 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.30 2kne h GLU 31 Cb 0.67 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2kne h GLU 31 CO 0.14 0.17 -0.43 1.25 0.07 0.00 0.00 179.01 180.20 2kne h LEU 32 N 0.06 -1.09 -1.19 3.06 5.85 -1.28 -2.78 115.31 117.95 2kne h LEU 32 Ca 0.01 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.89 2kne h LEU 32 Cb 0.22 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 2kne h LEU 32 CO 0.01 -0.68 0.58 1.23 -0.34 0.00 0.00 178.44 179.25 2kne h GLY 33 N -1.09 1.31 0.67 3.75 0.00 -1.28 -2.20 103.07 104.23 2kne h GLY 33 Ca -0.10 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 46.87 2kne h GLY 33 CO 0.11 0.20 -0.21 -0.84 0.00 0.00 0.00 176.54 175.80 2kne h THR 34 N 0.89 0.53 -0.53 4.70 2.02 -1.22 -1.28 112.91 118.02 2kne h THR 34 Ca 0.42 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.65 2kne h THR 34 Cb 0.42 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 2kne h THR 34 CO -0.18 0.00 0.26 0.58 0.37 0.00 0.00 175.52 176.55 2kne h VAL 35 N -0.42 0.93 -0.85 3.16 2.07 -1.13 -1.73 116.25 118.28 2kne h VAL 35 Ca 0.02 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.41 2kne h VAL 35 Cb 0.42 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2kne h VAL 35 CO -0.10 0.09 0.54 -0.03 0.02 0.00 0.00 177.57 178.10 2kne h MET 36 N 0.50 1.01 -1.00 1.57 -1.53 -1.22 -1.60 114.93 112.65 2kne h MET 36 Ca 0.24 -0.06 0.17 0.00 -3.44 0.00 0.00 59.70 56.61 2kne h MET 36 Cb 0.17 -0.23 -0.10 0.00 -0.55 0.00 0.00 31.60 30.90 2kne h MET 36 CO -0.18 0.67 0.62 -0.09 0.14 0.00 0.00 176.91 178.06 2kne h ARG 37 N 1.04 0.81 0.00 0.39 2.43 -0.33 0.52 114.38 119.23 2kne h ARG 37 Ca 0.35 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2kne h ARG 37 Cb 0.06 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2kne h ARG 37 CO -0.13 0.53 -0.01 1.03 -1.51 0.00 0.00 179.97 179.88 2kne h SER 38 N 0.83 0.00 0.00 -3.80 0.87 -0.96 -0.43 113.55 110.06 2kne h SER 38 Ca 0.55 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 2kne h SER 38 Cb 0.78 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2kne h SER 38 CO -0.34 0.01 0.00 0.18 -0.53 0.00 0.00 176.83 176.15 2kne n LEU 39 N -3.15 0.00 0.00 2.23 4.77 0.18 -4.83 117.00 116.20 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 0.44 0.51 3.45 -0.72 0.00 -0.17 -5.06 105.19 103.64 2kne n GLY 40 Ca 0.14 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.08 1.62 -0.63 1.61 -0.21 -1.21 -5.10 119.66 112.66 2kne s GLN 41 Ca 0.00 -1.85 0.05 0.00 0.02 0.00 0.00 55.36 53.58 2kne s GLN 41 Cb 0.00 -1.12 0.17 0.00 1.00 0.00 0.00 33.01 33.05 2kne s GLN 41 CO 0.00 -0.03 0.44 0.54 -2.12 0.00 0.00 175.29 174.12 2kne s ASN 42 N -3.48 4.13 0.45 5.90 4.22 -1.26 -4.38 114.94 120.53 2kne s ASN 42 Ca 0.32 -3.62 -0.23 0.00 -2.14 0.00 0.00 52.86 47.19 2kne s ASN 42 Cb 0.06 -1.39 -0.08 0.00 1.28 0.00 0.00 41.25 41.12 2kne s ASN 42 CO 0.13 -0.11 1.13 -2.16 -2.04 0.00 0.00 177.10 174.05 2kne s PRO 43 N -1.05 3.82 0.67 3.55 0.04 -1.26 -5.03 135.00 135.75 2kne s PRO 43 Ca 0.26 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 2kne s PRO 43 Cb -0.05 -2.39 -0.00 0.00 0.04 0.00 0.00 34.50 32.10 2kne s PRO 43 CO -0.16 -0.48 1.07 -0.08 0.04 0.00 0.00 177.00 177.40 2kne s THR 44 N -1.61 3.86 0.19 1.26 -1.32 -1.26 -4.96 115.64 111.80 2kne s THR 44 Ca 0.63 0.58 -0.11 0.00 -1.21 0.00 0.00 61.69 61.57 2kne s THR 44 Cb -0.26 -3.59 0.11 0.00 -1.51 0.00 0.00 72.50 67.24 2kne s THR 44 CO 0.32 -0.78 1.82 -0.08 -2.21 0.00 0.00 174.62 173.69 2kne h GLU 45 N -0.53 0.66 -0.19 7.08 4.57 -2.03 -1.49 114.58 122.65 2kne h GLU 45 Ca -0.45 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 57.75 2kne h GLU 45 Cb 1.23 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 2kne h GLU 45 CO 0.63 0.44 0.26 0.00 -1.18 0.00 0.00 179.01 179.15 2kne h ALA 46 N 1.28 1.75 -0.63 2.92 0.00 -2.01 -1.11 119.26 121.46 2kne h ALA 46 Ca 0.25 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2kne h ALA 46 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2kne h ALA 46 CO -0.13 -0.35 0.10 1.49 0.00 0.00 0.00 179.25 180.36 2kne h GLU 47 N 0.00 1.06 -0.92 0.00 4.81 -1.64 -1.82 114.58 116.06 2kne h GLU 47 Ca 0.09 -0.29 0.08 0.00 -0.13 0.00 0.00 59.36 59.12 2kne h GLU 47 Cb 0.60 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.79 2kne h GLU 47 CO -0.00 0.98 0.57 -0.07 -0.73 0.00 0.00 179.01 179.76 2kne h LEU 48 N 0.97 0.88 0.35 1.64 4.07 -1.28 -1.70 115.31 120.24 2kne h LEU 48 Ca 0.19 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.16 2kne h LEU 48 Cb 0.44 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.03 2kne h LEU 48 CO 0.01 0.53 -0.17 -0.61 -1.08 0.00 0.00 178.44 177.12 2kne h GLN 49 N 0.99 -0.46 -0.26 1.13 4.15 -1.51 -2.65 115.11 116.51 2kne h GLN 49 Ca 0.42 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.92 2kne h GLN 49 Cb 0.28 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.03 2kne h GLN 49 CO -0.21 -0.15 -0.04 -0.44 -1.93 0.00 0.00 178.83 176.06 2kne h ASP 50 N -0.97 -0.18 0.10 -0.69 3.32 -1.24 -0.91 116.42 115.84 2kne h ASP 50 Ca -0.05 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2kne h ASP 50 Cb 0.52 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2kne h ASP 50 CO 0.08 -0.06 -0.05 0.24 -1.72 0.00 0.00 179.24 177.73 2kne h MET 51 N 0.03 -0.13 -0.19 3.56 2.86 -1.44 -2.76 114.93 116.87 2kne h MET 51 Ca 0.13 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 2kne h MET 51 Cb 0.18 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 2kne h MET 51 CO -0.24 0.18 0.03 0.82 1.06 0.00 0.00 176.91 178.75 2kne h ILE 52 N -0.44 0.90 -0.54 -1.22 1.08 -1.43 -2.13 117.51 113.72 2kne h ILE 52 Ca -0.01 -0.03 0.11 0.00 -0.39 0.00 0.00 64.86 64.53 2kne h ILE 52 Cb 0.37 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 2kne h ILE 52 CO 0.02 0.02 0.37 0.78 -0.69 0.00 0.00 178.15 178.65 2kne h ASN 53 N 0.10 0.26 -0.53 1.72 2.35 -1.18 0.11 115.58 118.40 2kne h ASN 53 Ca 0.09 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 2kne h ASN 53 Cb 0.09 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2kne h ASN 53 CO -0.12 0.15 -0.11 -0.08 -1.65 0.00 0.00 177.43 175.62 2kne h GLU 54 N 0.28 1.01 0.00 0.81 4.81 -1.08 -3.12 114.58 117.30 2kne h GLU 54 Ca 0.25 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2kne h GLU 54 Cb 0.62 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 2kne h GLU 54 CO -0.06 1.06 -0.65 0.28 -0.73 0.00 0.00 179.01 178.91 2kne h VAL 55 N 0.88 0.04 -0.90 0.32 2.07 -1.25 -3.43 116.25 113.97 2kne h VAL 55 Ca 0.14 -1.06 -0.61 0.00 0.82 0.00 0.00 66.70 65.98 2kne h VAL 55 Cb 0.68 1.71 -0.08 0.00 -1.52 0.00 0.00 31.29 32.08 2kne h VAL 55 CO 0.05 0.02 1.82 -0.62 0.02 0.00 0.00 177.57 178.86 2kne s ASP 56 N -5.70 6.50 0.32 0.57 2.15 -0.04 -4.84 116.67 115.64 2kne s ASP 56 Ca 0.02 -1.99 0.01 0.00 0.43 0.00 0.00 52.55 51.03 2kne s ASP 56 Cb 0.08 -2.58 0.57 0.00 -0.30 0.00 0.00 42.92 40.69 2kne s ASP 56 CO 0.75 -1.51 1.95 0.00 -0.17 0.00 0.00 175.17 176.19 2kne h ALA 57 N 8.62 1.54 -0.01 3.66 0.00 -1.85 -2.32 119.26 128.90 2kne h ALA 57 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2kne h ALA 57 Cb 0.93 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2kne h ALA 57 CO 1.42 0.36 -0.07 -0.40 0.00 0.00 0.00 179.25 180.56 2kne n ASP 58 N -4.46 1.15 -1.90 0.00 5.68 -1.26 -4.93 116.55 110.82 2kne n ASP 58 Ca 0.11 -1.22 -0.21 0.00 -0.50 0.00 0.00 54.79 52.98 2kne n ASP 58 Cb 0.15 0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 40.09 2kne n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kne n GLY 59 N 1.21 1.03 0.41 6.12 0.00 -0.88 -4.85 105.19 108.24 2kne n GLY 59 Ca 0.17 -0.01 0.12 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 -1.60 1.24 0.00 1.61 6.94 -1.26 -4.91 115.26 117.28 2kne n ASN 60 Ca -0.22 -1.56 0.00 0.00 -0.02 0.00 0.00 54.58 52.77 2kne n ASN 60 Cb 0.69 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 38.05 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 0.81 3.44 4.83 0.00 -1.26 -5.02 105.19 109.08 2kne n GLY 61 Ca 0.17 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 -3.14 0.00 -0.15 2.61 -4.23 -1.26 -4.75 115.64 104.72 2kne s THR 62 Ca 0.00 -1.60 -0.02 0.00 -1.18 0.00 0.00 61.69 58.89 2kne s THR 62 Cb 0.00 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.55 2kne s THR 62 CO 0.00 -0.02 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.34 2kne s ILE 63 N -4.06 3.36 0.53 2.99 1.01 -1.05 -4.79 121.20 119.18 2kne s ILE 63 Ca 0.27 -0.54 0.08 0.00 0.00 0.00 0.00 60.65 60.46 2kne s ILE 63 Cb 0.02 -2.45 0.08 0.00 0.01 0.00 0.00 42.46 40.12 2kne s ILE 63 CO 0.09 0.50 0.65 -0.90 0.00 0.00 0.00 174.94 175.29 2kne n ASP 64 N 3.75 2.13 -0.13 3.58 5.68 -1.26 -2.28 116.55 128.02 2kne n ASP 64 Ca -0.18 -2.51 -0.05 0.00 -0.50 0.00 0.00 54.79 51.55 2kne n ASP 64 Cb 0.52 -0.31 0.03 0.00 -1.14 0.00 0.00 41.12 40.23 2kne n ASP 64 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2kne h PHE 65 N 0.23 0.30 -0.16 2.11 3.04 -1.99 -1.94 116.94 118.53 2kne h PHE 65 Ca -0.27 0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.75 2kne h PHE 65 Cb 1.16 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 39.55 2kne h PHE 65 CO 0.00 0.13 -0.16 -1.35 -2.02 0.00 0.00 178.31 174.91 2kne h PRO 66 N 0.35 -0.17 0.00 6.41 0.11 -2.01 0.21 132.00 136.90 2kne h PRO 66 Ca 0.19 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 2kne h PRO 66 Cb 0.16 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 2kne h PRO 66 CO -0.18 -0.11 -0.04 0.93 -0.21 0.00 0.00 178.00 178.39 2kne h GLU 67 N -0.18 0.00 0.40 1.05 5.08 -1.90 -2.76 114.58 116.27 2kne h GLU 67 Ca 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2kne h GLU 67 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2kne h GLU 67 CO -0.27 0.04 -0.19 0.35 -1.00 0.00 0.00 179.01 177.94 2kne h PHE 68 N 0.00 -0.50 -0.69 4.33 3.57 -0.17 -3.31 116.94 120.18 2kne h PHE 68 Ca -0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 2kne h PHE 68 Cb 0.14 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 2kne h PHE 68 CO 0.00 -0.31 0.39 -0.07 -2.23 0.00 0.00 178.31 176.09 2kne h LEU 69 N -1.03 0.57 -0.76 0.59 3.38 -1.21 -2.48 115.31 114.36 2kne h LEU 69 Ca -0.05 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.09 2kne h LEU 69 Cb 0.41 -0.08 -0.14 0.00 0.09 0.00 0.00 40.66 40.94 2kne h LEU 69 CO 0.09 0.37 -0.26 0.71 0.09 0.00 0.00 178.44 179.43 2kne h THR 70 N 0.71 0.17 -0.37 0.22 1.35 -1.62 -0.77 112.91 112.59 2kne h THR 70 Ca 0.31 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.13 2kne h THR 70 Cb 0.19 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 66.76 2kne h THR 70 CO -0.19 0.00 0.08 0.24 -0.25 0.00 0.00 175.52 175.40 2kne h MET 71 N -0.05 0.61 -0.83 4.72 2.86 -1.53 -3.01 114.93 117.70 2kne h MET 71 Ca 0.34 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 2kne h MET 71 Cb 0.58 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 2kne h MET 71 CO -0.80 0.66 0.48 0.52 1.06 0.00 0.00 176.91 178.83 2kne h MET 72 N 0.46 1.15 -0.32 1.72 2.07 -0.99 0.38 114.93 119.40 2kne h MET 72 Ca 0.12 -0.12 -0.07 0.00 -2.07 0.00 0.00 59.70 57.55 2kne h MET 72 Cb 0.33 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.82 2kne h MET 72 CO 0.00 0.82 -0.12 0.00 1.07 0.00 0.00 176.91 178.69 2kne h ALA 73 N 1.26 1.20 0.00 6.32 0.00 -1.19 -2.87 119.26 123.98 2kne h ALA 73 Ca 0.30 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kne h ALA 73 Cb -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2kne h ALA 73 CO -0.05 0.51 -0.97 0.54 0.00 0.00 0.00 179.25 179.28 2kne n ARG 74 N -4.20 0.38 -1.90 0.00 1.74 -1.05 -4.58 116.66 107.05 2kne n ARG 74 Ca 0.01 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 2kne n ARG 74 Cb 0.33 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 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 -2.19 2.94 -0.37 5.56 3.00 0.13 -4.50 118.16 122.74 2kne n LYS 75 Ca 0.01 -2.76 0.07 0.00 -0.00 0.00 0.00 58.31 55.64 2kne n LYS 75 Cb 0.47 -3.30 0.23 0.00 0.00 0.00 0.00 35.03 32.43 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 6.35 3.04 -1.58 1.64 2.81 -1.26 -4.93 117.12 123.19 2kne n MET 76 Ca 0.51 -2.54 -0.51 0.00 -1.81 0.00 0.00 57.70 53.35 2kne n MET 76 Cb 0.40 -1.63 -0.06 0.00 -0.71 0.00 0.00 33.22 31.23 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 1.08 -3.00 0.03 4.81 -1.26 -4.89 118.16 115.05 2kne n LYS 77 Ca 0.18 0.39 -0.43 0.00 -0.87 0.00 0.00 58.31 57.58 2kne n LYS 77 Cb 0.71 -1.98 -0.06 0.00 0.02 0.00 0.00 35.03 33.72 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 0.32 6.38 -0.35 3.14 1.01 -1.26 -5.02 116.67 120.89 2kne s ASP 78 Ca 0.82 -0.21 -0.15 0.00 0.71 0.00 0.00 52.55 53.72 2kne s ASP 78 Cb -0.94 -2.37 -0.01 0.00 1.01 0.00 0.00 42.92 40.61 2kne s ASP 78 CO 0.49 -0.90 0.33 0.42 0.21 0.00 0.00 175.17 175.72 2kne s THR 79 N 3.20 5.20 -0.14 -1.27 -4.23 -1.26 -5.03 115.64 112.11 2kne s THR 79 Ca 0.28 -0.07 -0.29 0.00 -1.18 0.00 0.00 61.69 60.42 2kne s THR 79 Cb -0.13 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 69.85 2kne s THR 79 CO 0.21 -0.10 1.84 1.51 -0.54 0.00 0.00 174.62 177.54 2kne s ASP 80 N 1.73 6.21 0.56 3.99 -4.77 -1.26 -4.79 116.67 118.35 2kne s ASP 80 Ca 0.10 1.99 0.06 0.00 -3.30 0.00 0.00 52.55 51.40 2kne s ASP 80 Cb -0.17 -2.53 0.20 0.00 -1.09 0.00 0.00 42.92 39.33 2kne s ASP 80 CO 0.11 -1.34 0.94 -1.20 0.70 0.00 0.00 175.17 174.38 2kne n SER 81 N 8.85 0.00 -0.02 2.11 7.64 -1.26 0.10 113.62 131.04 2kne n SER 81 Ca 0.21 0.49 -0.06 0.00 1.01 0.00 0.00 58.87 60.53 2kne n SER 81 Cb 0.44 -0.06 0.13 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.59 -1.01 1.43 4.57 -2.01 -3.07 114.58 115.08 2kne h GLU 82 Ca 0.11 -0.25 0.25 0.00 -1.18 0.00 0.00 59.36 58.28 2kne h GLU 82 Cb 1.95 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 30.43 2kne h GLU 82 CO -0.00 0.82 0.64 1.49 -1.18 0.00 0.00 179.01 180.79 2kne h GLU 83 N 0.51 0.46 0.00 1.92 4.81 0.33 0.24 114.58 122.84 2kne h GLU 83 Ca 0.06 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2kne h GLU 83 Cb 0.77 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2kne h GLU 83 CO 0.06 0.30 -0.60 1.49 -0.73 0.00 0.00 179.01 179.54 2kne h GLU 84 N 0.47 0.00 0.00 1.92 4.57 -1.71 -3.29 114.58 116.54 2kne h GLU 84 Ca 0.58 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.76 2kne h GLU 84 Cb 1.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 2kne h GLU 84 CO -0.32 0.00 0.00 -0.89 -1.18 0.00 0.00 179.01 176.62 2kne n ILE 85 N -2.31 0.00 -0.20 2.32 2.08 0.83 -1.41 119.36 120.66 2kne n ILE 85 Ca 0.03 1.19 -0.06 0.00 0.56 0.00 0.00 62.75 64.46 2kne n ILE 85 Cb 0.47 -2.14 0.03 0.00 -0.75 0.00 0.00 39.64 37.25 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 0.76 -0.82 0.38 3.08 -1.76 -2.94 114.38 113.08 2kne h ARG 86 Ca 0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2kne h ARG 86 Cb 0.00 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.84 2kne h ARG 86 CO 0.00 0.52 0.48 0.93 -1.07 0.00 0.00 179.97 180.84 2kne h GLU 87 N 0.77 1.12 0.00 0.04 3.07 -1.69 -1.32 114.58 116.58 2kne h GLU 87 Ca 0.21 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 2kne h GLU 87 Cb -0.06 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.62 2kne h GLU 87 CO -0.04 0.80 0.00 0.00 -1.40 0.00 0.00 179.01 178.37 2kne h ALA 88 N 1.26 1.00 -0.00 3.43 0.00 -1.05 -2.23 119.26 121.67 2kne h ALA 88 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 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 -0.03 0.35 0.00 0.00 0.00 179.25 179.51 2kne h PHE 89 N 0.00 0.04 -0.78 0.00 3.57 -1.22 -3.01 116.94 115.54 2kne h PHE 89 Ca 0.00 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.57 2kne h PHE 89 Cb 0.02 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.69 2kne h PHE 89 CO 0.00 0.78 0.44 0.00 -2.23 0.00 0.00 178.31 177.29 2kne h ARG 90 N -0.72 0.72 -0.40 1.11 3.08 -1.40 0.42 114.38 117.19 2kne h ARG 90 Ca -0.00 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 2kne h ARG 90 Cb 0.79 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 2kne h ARG 90 CO 0.01 0.48 0.07 0.28 -1.07 0.00 0.00 179.97 179.73 2kne h VAL 91 N 0.75 1.24 -0.32 2.04 2.07 -1.64 -3.07 116.25 117.32 2kne h VAL 91 Ca 0.37 -0.86 -0.15 0.00 0.82 0.00 0.00 66.70 66.88 2kne h VAL 91 Cb 0.33 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2kne h VAL 91 CO -0.24 0.30 -0.41 -0.26 0.02 0.00 0.00 177.57 176.98 2kne h PHE 92 N 0.52 0.93 -2.05 1.57 -1.00 -1.24 -3.32 116.94 112.34 2kne h PHE 92 Ca 0.12 -0.28 -0.72 0.00 2.81 0.00 0.00 57.97 59.91 2kne h PHE 92 Cb 0.36 -0.19 -0.16 0.00 3.61 0.00 0.00 35.95 39.57 2kne h PHE 92 CO 0.02 1.05 1.34 0.34 -1.61 0.00 0.00 178.31 179.45 2kne s ASP 93 N -6.86 6.94 0.14 2.17 -1.08 0.14 -4.61 116.67 113.51 2kne s ASP 93 Ca -0.09 -2.69 -0.18 0.00 -0.52 0.00 0.00 52.55 49.07 2kne s ASP 93 Cb 0.12 -2.42 0.01 0.00 -1.46 0.00 0.00 42.92 39.16 2kne s ASP 93 CO 0.86 -0.88 1.74 0.50 0.52 0.00 0.00 175.17 177.90 2kne h LYS 94 N 7.64 0.16 -0.25 4.34 3.64 -1.69 -2.45 116.57 127.96 2kne h LYS 94 Ca 0.29 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2kne h LYS 94 Cb 0.91 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2kne h LYS 94 CO 1.24 0.11 0.00 -0.40 -2.27 0.00 0.00 179.45 178.13 2kne n ASP 95 N -5.07 2.07 -3.82 4.20 5.75 -1.26 -4.94 116.55 113.46 2kne n ASP 95 Ca -0.01 -1.81 -0.23 0.00 -0.01 0.00 0.00 54.79 52.73 2kne n ASP 95 Cb 0.11 -0.16 0.01 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 1.20 -0.26 0.74 6.12 0.00 -0.92 -4.86 105.19 107.21 2kne n GLY 96 Ca 0.16 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 -3.02 2.22 0.00 1.61 2.04 -1.26 -4.90 115.26 111.94 2kne n ASN 97 Ca -0.31 -1.82 0.00 0.00 -0.44 0.00 0.00 54.58 52.02 2kne n ASN 97 Cb 0.68 -0.16 0.00 0.00 -2.53 0.00 0.00 39.78 37.77 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 1.24 0.86 3.03 4.83 0.00 -1.26 -5.02 105.19 108.87 2kne n GLY 98 Ca 0.17 0.00 -0.10 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 -3.44 0.44 -0.31 1.61 1.51 -1.26 -4.32 117.35 111.57 2kne s TYR 99 Ca 0.00 -0.63 -0.16 0.00 -1.01 0.00 0.00 57.07 55.27 2kne s TYR 99 Cb 0.00 -0.29 -0.02 0.00 -0.11 0.00 0.00 41.96 41.54 2kne s TYR 99 CO 0.00 -0.19 0.44 0.42 -1.11 0.00 0.00 175.55 175.11 2kne s ILE 100 N -1.94 5.10 0.22 2.71 1.01 -0.57 -4.68 121.20 123.05 2kne s ILE 100 Ca -0.09 0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.87 2kne s ILE 100 Cb -0.06 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.50 2kne s ILE 100 CO -0.02 -0.03 0.59 -0.44 0.00 0.00 0.00 174.94 175.04 2kne s SER 101 N 1.69 6.74 0.16 3.58 0.01 -1.26 -2.78 113.70 121.83 2kne s SER 101 Ca 0.17 1.06 -0.16 0.00 1.31 0.00 0.00 55.95 58.33 2kne s SER 101 Cb -0.16 -2.28 0.10 0.00 0.21 0.00 0.00 66.02 63.89 2kne s SER 101 CO 0.11 -0.04 1.73 0.00 0.41 0.00 0.00 173.24 175.45 2kne h ALA 102 N 2.86 0.42 -0.87 1.44 0.00 -1.97 -0.97 119.26 120.16 2kne h ALA 102 Ca -0.48 0.08 0.18 0.00 0.00 0.00 0.00 54.91 54.69 2kne h ALA 102 Cb 1.18 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 2kne h ALA 102 CO 0.67 -0.32 0.42 0.00 0.00 0.00 0.00 179.25 180.02 2kne h ALA 103 N 1.29 1.34 -0.68 0.00 0.00 -2.00 0.86 119.26 120.08 2kne h ALA 103 Ca 0.19 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2kne h ALA 103 Cb 0.22 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2kne h ALA 103 CO -0.24 -0.20 0.22 0.93 0.00 0.00 0.00 179.25 179.96 2kne h GLU 104 N 0.53 1.05 -0.38 0.00 5.08 -1.53 -2.98 114.58 116.35 2kne h GLU 104 Ca 0.50 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2kne h GLU 104 Cb 0.83 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2kne h GLU 104 CO -0.43 0.91 0.15 1.25 -1.00 0.00 0.00 179.01 179.88 2kne h LEU 105 N 0.99 0.52 -0.90 1.33 5.85 -0.07 -3.04 115.31 120.00 2kne h LEU 105 Ca 0.22 -0.17 0.25 0.00 0.84 0.00 0.00 57.88 59.01 2kne h LEU 105 Cb 0.29 -0.14 -0.15 0.00 0.37 0.00 0.00 40.66 41.03 2kne h LEU 105 CO -0.01 0.55 0.19 -0.09 -0.34 0.00 0.00 178.44 178.74 2kne h ARG 106 N 0.46 0.14 -0.10 1.25 2.43 -1.00 0.91 114.38 118.47 2kne h ARG 106 Ca 0.13 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2kne h ARG 106 Cb 0.20 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2kne h ARG 106 CO -0.01 0.10 -0.12 1.25 -1.51 0.00 0.00 179.97 179.68 2kne h HIS 107 N 0.15 0.16 -0.83 2.20 2.76 -1.56 -2.83 115.15 115.20 2kne h HIS 107 Ca 0.56 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.80 2kne h HIS 107 Cb 1.16 -0.05 -0.07 0.00 1.55 0.00 0.00 27.41 30.01 2kne h HIS 107 CO -0.31 0.28 0.50 0.28 -1.30 0.00 0.00 177.93 177.38 2kne h VAL 108 N 0.15 0.97 -0.76 5.26 2.07 0.82 -2.19 116.25 122.58 2kne h VAL 108 Ca 0.03 -0.30 0.14 0.00 0.82 0.00 0.00 66.70 67.40 2kne h VAL 108 Cb 0.31 0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 30.01 2kne h VAL 108 CO 0.02 0.16 0.30 0.24 0.02 0.00 0.00 177.57 178.30 2kne h MET 109 N 0.86 0.42 -0.87 1.57 2.07 -1.46 -0.74 114.93 116.79 2kne h MET 109 Ca 0.39 -0.03 0.12 0.00 -2.07 0.00 0.00 59.70 58.11 2kne h MET 109 Cb 0.28 -0.10 -0.08 0.00 -1.87 0.00 0.00 31.60 29.83 2kne h MET 109 CO -0.21 0.28 0.49 1.15 1.07 0.00 0.00 176.91 179.68 2kne h THR 110 N 0.43 0.83 -0.53 2.22 2.02 -1.54 0.71 112.91 117.06 2kne h THR 110 Ca 0.42 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 67.25 2kne h THR 110 Cb 0.64 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2kne h THR 110 CO -0.41 0.14 -0.02 0.78 0.37 0.00 0.00 175.52 176.38 2kne h ASN 111 N 0.75 0.94 1.50 4.18 2.35 -1.15 -2.98 115.58 121.17 2kne h ASN 111 Ca 0.44 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2kne h ASN 111 Cb 0.52 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2kne h ASN 111 CO -0.30 1.03 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.33 2kne h LEU 112 N 0.83 0.00 0.67 1.61 3.38 -0.66 -3.48 115.31 117.66 2kne h LEU 112 Ca 0.15 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2kne h LEU 112 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2kne h LEU 112 CO 0.03 0.01 -0.13 0.61 0.09 0.00 0.00 178.44 179.05 2kne n GLY 113 N 1.27 0.17 0.14 0.83 0.00 0.23 -4.95 105.19 102.88 2kne n GLY 113 Ca 0.05 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.48 2kne n GLY 113 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kne h GLU 114 N -0.03 0.00 -6.68 1.61 4.39 -1.75 -3.48 114.58 108.64 2kne h GLU 114 Ca -0.12 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.04 2kne h GLU 114 Cb 1.09 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.76 2kne h GLU 114 CO 0.14 0.16 -0.99 1.63 -1.16 0.00 0.00 179.01 178.80 2kne n LYS 115 N -2.93 -0.61 -2.83 2.33 4.76 -1.26 -4.90 118.16 112.72 2kne n LYS 115 Ca -0.01 0.23 -0.35 0.00 -2.87 0.00 0.00 58.31 55.32 2kne n LYS 115 Cb 0.65 -3.06 -0.07 0.00 -1.84 0.00 0.00 35.03 30.71 2kne n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kne s LEU 116 N -7.03 4.14 0.86 -0.35 1.43 -1.26 -5.08 118.68 111.40 2kne s LEU 116 Ca 0.47 1.73 -0.12 0.00 -1.03 0.00 0.00 54.13 55.18 2kne s LEU 116 Cb -0.23 -4.24 0.14 0.00 0.03 0.00 0.00 46.19 41.89 2kne s LEU 116 CO 0.93 -0.21 1.21 0.42 0.23 0.00 0.00 176.35 178.93 2kne s THR 117 N -1.89 2.05 0.20 5.49 -4.23 -1.26 -4.82 115.64 111.18 2kne s THR 117 Ca 0.56 -0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.85 2kne s THR 117 Cb -0.14 -2.95 0.12 0.00 1.34 0.00 0.00 72.50 70.87 2kne s THR 117 CO 0.18 0.00 1.79 -0.78 -0.54 0.00 0.00 174.62 175.27 2kne h ASP 118 N -1.22 0.43 -0.36 3.99 1.82 -1.99 -0.37 116.42 118.72 2kne h ASP 118 Ca -0.44 0.04 0.03 0.00 -0.39 0.00 0.00 57.03 56.27 2kne h ASP 118 Cb 1.27 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 41.21 2kne h ASP 118 CO 0.48 0.28 0.16 -0.08 -1.61 0.00 0.00 179.24 178.47 2kne h GLU 119 N 0.57 0.32 -0.00 0.28 4.81 -1.99 -1.59 114.58 116.97 2kne h GLU 119 Ca 0.27 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.34 2kne h GLU 119 Cb 0.19 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2kne h GLU 119 CO -0.19 0.21 -0.66 0.93 -0.73 0.00 0.00 179.01 178.57 2kne h GLU 120 N 0.33 0.01 -0.59 1.92 4.39 -1.83 -1.31 114.58 117.51 2kne h GLU 120 Ca 0.16 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 2kne h GLU 120 Cb 0.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2kne h GLU 120 CO -0.13 0.67 0.14 0.28 -1.16 0.00 0.00 179.01 178.81 2kne h VAL 121 N 0.01 1.25 -0.07 3.13 2.07 -0.70 -2.31 116.25 119.63 2kne h VAL 121 Ca -0.01 -0.92 -0.18 0.00 0.82 0.00 0.00 66.70 66.42 2kne h VAL 121 Cb 1.17 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2kne h VAL 121 CO 0.09 0.34 -0.73 -0.78 0.02 0.00 0.00 177.57 176.51 2kne h ASP 122 N 0.86 0.46 -0.02 0.57 1.82 -1.24 -3.28 116.42 115.59 2kne h ASP 122 Ca 0.18 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 2kne h ASP 122 Cb 0.36 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.23 2kne h ASP 122 CO 0.00 1.04 -0.01 -0.08 -1.61 0.00 0.00 179.24 178.58 2kne h GLU 123 N 0.26 -0.00 -0.55 0.28 4.57 -0.91 -2.48 114.58 115.75 2kne h GLU 123 Ca -0.03 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.24 2kne h GLU 123 Cb 1.30 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.82 2kne h GLU 123 CO 0.12 -0.00 0.16 0.52 -1.18 0.00 0.00 179.01 178.63 2kne h MET 124 N -0.00 0.31 -0.71 1.92 2.86 -1.50 -1.41 114.93 116.38 2kne h MET 124 Ca 0.01 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 2kne h MET 124 Cb 0.02 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.55 2kne h MET 124 CO -0.03 0.20 0.40 0.82 1.06 0.00 0.00 176.91 179.37 2kne h ILE 125 N 0.32 0.96 -0.65 -1.22 1.08 -1.54 -1.66 117.51 114.79 2kne h ILE 125 Ca 0.28 -0.25 0.01 0.00 -0.39 0.00 0.00 64.86 64.51 2kne h ILE 125 Cb 0.36 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 34.25 2kne h ILE 125 CO -0.32 0.13 0.43 0.03 -0.69 0.00 0.00 178.15 177.73 2kne h ARG 126 N 0.73 0.86 -0.90 2.37 3.08 -0.83 0.31 114.38 120.00 2kne h ARG 126 Ca 0.32 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.35 2kne h ARG 126 Cb 0.22 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 2kne h ARG 126 CO -0.20 0.58 0.58 0.93 -1.07 0.00 0.00 179.97 180.79 2kne h GLU 127 N 0.89 1.10 0.00 0.04 4.39 -0.90 -2.70 114.58 117.40 2kne h GLU 127 Ca 0.24 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2kne h GLU 127 Cb -0.09 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.31 2kne h GLU 127 CO -0.05 0.72 -1.02 0.00 -1.16 0.00 0.00 179.01 177.50 2kne n ALA 128 N -2.35 2.92 -2.19 3.43 0.00 -0.99 -4.79 120.51 116.55 2kne n ALA 128 Ca 0.11 -0.32 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 2kne n ALA 128 Cb 0.09 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 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 -4.58 5.51 0.41 0.00 2.15 0.06 -4.76 116.67 115.47 2kne s ASP 129 Ca 0.02 -0.81 0.29 0.00 0.43 0.00 0.00 52.55 52.47 2kne s ASP 129 Cb 0.12 -2.56 1.10 0.00 -0.30 0.00 0.00 42.92 41.28 2kne s ASP 129 CO 0.79 -2.40 1.84 0.40 -0.17 0.00 0.00 175.17 175.63 2kne h ILE 130 N 7.10 0.00 -3.59 4.11 2.04 -1.86 -3.44 117.51 121.87 2kne h ILE 130 Ca 0.10 -0.45 -0.18 0.00 1.00 0.00 0.00 64.86 65.33 2kne h ILE 130 Cb 1.02 1.35 -0.24 0.00 -0.74 0.00 0.00 36.82 38.20 2kne h ILE 130 CO 1.27 0.00 -0.59 1.51 0.00 0.00 0.00 178.15 180.33 2kne s ASP 131 N -5.11 -0.01 -0.39 1.72 -4.77 -1.26 -5.06 116.67 101.80 2kne s ASP 131 Ca 0.04 -0.03 -0.05 0.00 -3.30 0.00 0.00 52.55 49.21 2kne s ASP 131 Cb 0.09 0.18 -0.12 0.00 -1.09 0.00 0.00 42.92 41.98 2kne s ASP 131 CO 0.50 -0.17 2.36 0.61 0.70 0.00 0.00 175.17 179.18 2kne n GLY 132 N 2.38 2.63 0.06 2.12 0.00 -1.26 -4.20 105.19 106.92 2kne n GLY 132 Ca -0.17 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 3.24 0.67 0.00 1.61 5.75 -1.26 -4.95 116.55 121.60 2kne n ASP 133 Ca 0.35 -0.45 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 2kne n ASP 133 Cb 0.41 0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 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 0.76 3.14 6.12 0.00 -1.26 -4.99 105.19 110.42 2kne n GLY 134 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.20 0.75 -0.30 1.61 -0.21 -1.26 -4.81 119.66 115.24 2kne s GLN 135 Ca 0.00 -1.10 -0.11 0.00 0.02 0.00 0.00 55.36 54.17 2kne s GLN 135 Cb 0.00 -0.36 -0.04 0.00 1.00 0.00 0.00 33.01 33.62 2kne s GLN 135 CO 0.00 0.04 0.19 0.08 -2.12 0.00 0.00 175.29 173.48 2kne s VAL 136 N -2.53 5.16 0.79 1.09 1.01 -1.12 -4.91 120.40 119.90 2kne s VAL 136 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 2kne s VAL 136 Cb -0.02 -3.52 0.11 0.00 0.00 0.00 0.00 36.38 32.96 2kne s VAL 136 CO -0.01 0.17 1.12 0.21 0.00 0.00 0.00 175.10 176.59 2kne s ASN 137 N 1.73 4.21 0.23 3.32 2.47 -1.26 -1.52 114.94 124.11 2kne s ASN 137 Ca 0.07 0.29 -0.08 0.00 0.42 0.00 0.00 52.86 53.56 2kne s ASN 137 Cb -0.16 -0.70 0.21 0.00 -1.45 0.00 0.00 41.25 39.15 2kne s ASN 137 CO 0.10 -2.01 1.87 0.22 -3.72 0.00 0.00 177.10 173.56 2kne h TYR 138 N -0.94 1.18 -0.47 0.43 3.20 -1.99 -1.22 116.97 117.17 2kne h TYR 138 Ca -0.43 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.42 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 -0.19 0.79 0.24 1.49 -1.64 0.00 0.00 178.16 178.85 2kne h GLU 139 N 1.23 0.67 -0.48 1.82 4.81 -1.96 -1.54 114.58 119.14 2kne h GLU 139 Ca 0.32 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.38 2kne h GLU 139 Cb -0.04 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2kne h GLU 139 CO -0.06 0.55 -0.02 0.93 -0.73 0.00 0.00 179.01 179.68 2kne h GLU 140 N 0.62 0.81 -0.47 1.92 5.08 -1.79 -1.95 114.58 118.81 2kne h GLU 140 Ca 0.16 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2kne h GLU 140 Cb 0.09 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2kne h GLU 140 CO -0.02 0.83 0.27 0.35 -1.00 0.00 0.00 179.01 179.44 2kne h PHE 141 N 0.75 0.62 -0.20 4.33 3.57 -0.85 -2.65 116.94 122.51 2kne h PHE 141 Ca 0.14 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2kne h PHE 141 Cb 0.48 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2kne h PHE 141 CO 0.03 0.45 0.05 0.28 -2.23 0.00 0.00 178.31 176.88 2kne h VAL 142 N 0.62 1.21 -0.90 1.41 2.07 -1.10 -1.98 116.25 117.57 2kne h VAL 142 Ca 0.17 -0.68 0.18 0.00 0.82 0.00 0.00 66.70 67.19 2kne h VAL 142 Cb 0.01 1.27 -0.11 0.00 -1.52 0.00 0.00 31.29 30.95 2kne h VAL 142 CO -0.03 0.21 0.47 -0.61 0.02 0.00 0.00 177.57 177.63 2kne h GLN 143 N 0.14 0.57 -0.07 1.57 4.15 -1.20 0.25 115.11 120.51 2kne h GLN 143 Ca 0.06 -0.03 -0.23 0.00 0.77 0.00 0.00 58.65 59.22 2kne h GLN 143 Cb 0.28 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 27.85 2kne h GLN 143 CO 0.00 0.38 -0.89 0.52 -1.93 0.00 0.00 178.83 176.91 2kne h MET 144 N 0.58 0.65 -0.07 1.69 2.86 -1.25 -2.97 114.93 116.43 2kne h MET 144 Ca 0.52 -0.61 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 2kne h MET 144 Cb 0.85 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2kne h MET 144 CO -0.42 1.22 -0.29 0.52 1.06 0.00 0.00 176.91 178.99 2kne h MET 145 N 0.41 0.32 -1.00 1.72 2.86 -0.64 -3.18 114.93 115.42 2kne h MET 145 Ca -0.08 -0.25 -0.21 0.00 -2.06 0.00 0.00 59.70 57.10 2kne h MET 145 Cb 1.52 0.05 -0.12 0.00 0.06 0.00 0.00 31.60 33.11 2kne h MET 145 CO 0.17 0.89 0.26 0.25 1.06 0.00 0.00 176.91 179.54 2kne n THR 146 N -4.45 1.87 -2.56 2.22 -2.24 0.80 -4.80 114.28 105.12 2kne n THR 146 Ca -0.08 -0.76 -0.42 0.00 -2.27 0.00 0.00 64.05 60.52 2kne n THR 146 Cb 0.48 -0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 67.91 2kne n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kne s ALA 147 N -1.31 3.02 0.00 6.98 0.00 -1.12 -4.96 121.76 124.36 2kne s ALA 147 Ca 0.23 -2.61 0.00 0.00 0.00 0.00 0.00 51.96 49.58 2kne s ALA 147 Cb 0.19 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.71 2kne s ALA 147 CO 0.04 -3.48 0.00 1.17 0.00 0.00 0.00 175.76 173.50