#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 0.53 0.00 0.00 3.04 -2.05 -3.45 116.42 114.49 2kne h ASP 2 Ca 0.00 -0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.68 2kne h ASP 2 Cb 0.00 -0.14 0.00 0.00 -1.04 0.00 0.00 39.33 38.15 2kne h ASP 2 CO 0.00 0.62 0.00 1.67 -2.04 0.00 0.00 179.24 179.49 2kne n GLN 3 N -4.25 0.00 0.00 4.15 -0.06 -1.26 -4.97 117.38 110.99 2kne n GLN 3 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 2kne n GLN 3 Cb 0.27 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.45 2kne n GLN 3 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2kne n LEU 4 N 0.00 0.06 -4.72 1.69 4.77 -1.26 -5.03 117.00 112.51 2kne n LEU 4 Ca 0.00 -0.51 -0.41 0.00 -0.03 0.00 0.00 56.01 55.05 2kne n LEU 4 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2kne n LEU 4 CO 0.00 0.01 0.68 0.42 -1.33 0.00 0.00 177.39 177.17 2kne s THR 5 N -1.04 4.59 0.13 -5.08 -4.23 -1.26 -4.95 115.64 103.80 2kne s THR 5 Ca 0.00 2.05 -0.21 0.00 -1.18 0.00 0.00 61.69 62.35 2kne s THR 5 Cb 0.01 -4.31 -0.01 0.00 1.34 0.00 0.00 72.50 69.52 2kne s THR 5 CO 0.03 0.27 1.68 -0.08 -0.54 0.00 0.00 174.62 175.97 2kne h GLU 6 N 5.94 -0.13 -0.99 3.99 4.81 -2.02 -2.36 114.58 123.83 2kne h GLU 6 Ca -0.42 0.01 0.34 0.00 -0.13 0.00 0.00 59.36 59.16 2kne h GLU 6 Cb 1.21 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.52 2kne h GLU 6 CO 0.73 -0.08 0.64 -1.91 -0.73 0.00 0.00 179.01 177.65 2kne n GLU 7 N -5.28 -0.03 0.08 1.92 0.00 -1.26 0.29 120.64 116.37 2kne n GLU 7 Ca -0.02 0.90 -0.04 0.00 0.00 0.00 0.00 57.16 57.99 2kne n GLU 7 Cb 0.20 -1.77 0.16 0.00 0.00 0.00 0.00 31.44 30.03 2kne n GLU 7 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2kne h GLN 8 N 0.00 0.26 -0.49 5.31 5.75 -1.83 -2.29 115.11 121.82 2kne h GLN 8 Ca 0.63 -0.15 0.04 0.00 -0.15 0.00 0.00 58.65 59.01 2kne h GLN 8 Cb 2.04 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 30.56 2kne h GLN 8 CO -0.33 0.72 0.26 0.82 -2.65 0.00 0.00 178.83 177.65 2kne h ILE 9 N 0.21 0.99 -0.40 2.39 2.04 0.41 0.05 117.51 123.20 2kne h ILE 9 Ca 0.01 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 65.77 2kne h ILE 9 Cb 0.98 0.42 -0.08 0.00 -0.74 0.00 0.00 36.82 37.41 2kne h ILE 9 CO 0.08 0.10 -0.11 0.00 0.00 0.00 0.00 178.15 178.22 2kne h ALA 10 N 1.25 0.25 -0.39 1.87 0.00 -1.33 0.59 119.26 121.50 2kne h ALA 10 Ca 0.21 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2kne h ALA 10 Cb 0.09 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2kne h ALA 10 CO -0.13 -0.46 0.12 0.93 0.00 0.00 0.00 179.25 179.70 2kne h GLU 11 N -0.01 0.61 -0.76 0.00 5.08 -0.98 -3.09 114.58 115.43 2kne h GLU 11 Ca 0.19 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2kne h GLU 11 Cb 0.30 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2kne h GLU 11 CO -0.42 0.62 0.32 0.74 -1.00 0.00 0.00 179.01 179.28 2kne h PHE 12 N 0.49 1.13 -0.05 4.33 -1.00 -0.57 -3.06 116.94 118.21 2kne h PHE 12 Ca 0.13 -0.08 0.04 0.00 2.81 0.00 0.00 57.97 60.87 2kne h PHE 12 Cb 0.27 -0.34 -0.06 0.00 3.61 0.00 0.00 35.95 39.43 2kne h PHE 12 CO 0.01 0.85 -0.34 -0.22 -1.61 0.00 0.00 178.31 177.01 2kne h LYS 13 N 1.08 -0.45 -0.91 1.51 3.64 -0.81 -0.61 116.57 120.02 2kne h LYS 13 Ca 0.25 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.86 2kne h LYS 13 Cb 0.19 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.00 2kne h LYS 13 CO -0.02 -0.30 0.47 0.93 -2.27 0.00 0.00 179.45 178.26 2kne h GLU 14 N -0.46 0.54 -0.79 1.90 5.08 -1.54 0.97 114.58 120.27 2kne h GLU 14 Ca 0.07 -0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.53 2kne h GLU 14 Cb 0.57 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 2kne h GLU 14 CO -0.31 0.35 0.52 0.00 -1.00 0.00 0.00 179.01 178.58 2kne h ALA 15 N 1.66 1.94 -0.98 3.43 0.00 -1.06 -2.37 119.26 121.87 2kne h ALA 15 Ca 0.55 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.51 2kne h ALA 15 Cb 0.93 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 2kne h ALA 15 CO -0.45 -0.14 0.64 0.74 0.00 0.00 0.00 179.25 180.04 2kne h PHE 16 N 0.57 1.17 0.00 0.00 -1.00 -0.45 -1.22 116.94 116.02 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 0.69 -0.39 0.00 0.00 3.61 0.00 0.00 35.95 39.86 2kne h PHE 16 CO -0.00 0.63 0.00 0.77 -1.61 0.00 0.00 178.31 178.10 2kne h SER 17 N 1.17 0.00 -0.59 2.17 0.02 -1.51 -2.30 113.55 112.50 2kne h SER 17 Ca 0.41 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.31 2kne h SER 17 Cb 0.13 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2kne h SER 17 CO -0.15 0.00 0.17 -0.07 -1.14 0.00 0.00 176.83 175.64 2kne h LEU 18 N 0.00 0.88 0.00 5.07 -0.00 -1.30 -3.29 115.31 116.66 2kne h LEU 18 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 2kne h LEU 18 Cb 0.24 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 2kne h LEU 18 CO 0.00 0.86 -1.19 2.22 -0.00 0.00 0.00 178.44 180.34 2kne n PHE 19 N -4.39 0.00 -2.30 1.13 1.16 -1.17 -4.86 117.46 107.02 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 0.22 -0.17 -0.04 0.00 -1.61 0.00 0.00 39.48 37.88 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 -3.03 5.78 0.04 5.98 1.01 -0.87 -4.77 116.67 120.81 2kne s ASP 20 Ca -0.00 -0.60 -0.22 0.00 0.71 0.00 0.00 52.55 52.44 2kne s ASP 20 Cb 0.10 -2.56 -0.15 0.00 1.01 0.00 0.00 42.92 41.32 2kne s ASP 20 CO 0.59 -2.11 1.43 0.50 0.21 0.00 0.00 175.17 175.79 2kne h LYS 21 N 11.44 0.19 -0.56 8.23 3.64 -1.89 -3.26 116.57 134.35 2kne h LYS 21 Ca -0.05 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2kne h LYS 21 Cb 1.05 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2kne h LYS 21 CO 1.29 0.49 0.00 -0.40 -2.27 0.00 0.00 179.45 178.55 2kne n ASP 22 N -4.78 4.40 -4.14 4.20 5.68 -1.26 -4.97 116.55 115.68 2kne n ASP 22 Ca -0.06 -2.45 -0.29 0.00 -0.50 0.00 0.00 54.79 51.49 2kne n ASP 22 Cb 0.23 -0.53 -0.09 0.00 -1.14 0.00 0.00 41.12 39.60 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 0.85 -0.14 0.18 6.12 0.00 -1.23 -4.79 105.19 106.17 2kne n GLY 23 Ca 0.23 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.56 2kne n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kne n ASP 24 N -2.55 0.74 0.00 1.61 5.68 -1.26 -4.91 116.55 115.87 2kne n ASP 24 Ca -0.29 -0.70 0.00 0.00 -0.50 0.00 0.00 54.79 53.30 2kne n ASP 24 Cb 0.63 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 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 1.32 0.78 3.07 6.12 0.00 -1.26 -5.03 105.19 110.19 2kne n GLY 25 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 2kne n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kne s THR 26 N -2.93 0.20 -0.20 2.61 -4.23 -1.26 -4.69 115.64 105.13 2kne s THR 26 Ca 0.00 -1.61 -0.22 0.00 -1.18 0.00 0.00 61.69 58.68 2kne s THR 26 Cb 0.00 -1.25 -0.02 0.00 1.34 0.00 0.00 72.50 72.57 2kne s THR 26 CO 0.00 -0.89 0.68 -0.63 -0.54 0.00 0.00 174.62 173.24 2kne s ILE 27 N -3.40 4.98 0.29 2.99 -1.09 -0.71 -4.92 121.20 119.33 2kne s ILE 27 Ca 0.02 1.29 0.09 0.00 -2.23 0.00 0.00 60.65 59.82 2kne s ILE 27 Cb 0.04 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 2kne s ILE 27 CO -0.08 0.07 0.07 0.42 -1.23 0.00 0.00 174.94 174.19 2kne s THR 28 N 2.10 3.46 0.30 2.92 -4.23 -1.26 -2.65 115.64 116.27 2kne s THR 28 Ca 0.31 -1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 2kne s THR 28 Cb -0.16 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 70.98 2kne s THR 28 CO 0.10 -0.31 1.95 0.71 -0.54 0.00 0.00 174.62 176.53 2kne h THR 29 N 1.73 1.17 0.96 3.99 1.35 -1.92 -1.27 112.91 118.92 2kne h THR 29 Ca -0.45 -0.38 -0.05 0.00 -0.55 0.00 0.00 66.41 64.99 2kne h THR 29 Cb 1.25 -0.03 0.01 0.00 -1.73 0.00 0.00 68.15 67.65 2kne h THR 29 CO 0.61 0.20 -0.46 0.11 -0.25 0.00 0.00 175.52 175.73 2kne h LYS 30 N 1.11 -1.25 -0.01 4.72 1.57 -1.98 -2.42 116.57 118.31 2kne h LYS 30 Ca 0.33 0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 59.16 2kne h LYS 30 Cb -0.04 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2kne h LYS 30 CO -0.09 -0.83 -0.15 1.05 -0.57 0.00 0.00 179.45 178.86 2kne h GLU 31 N -1.35 0.02 0.59 3.15 4.11 -1.88 -2.27 114.58 116.95 2kne h GLU 31 Ca -0.13 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 2kne h GLU 31 Cb 0.99 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.25 2kne h GLU 31 CO 0.22 0.17 -0.28 1.25 0.07 0.00 0.00 179.01 180.43 2kne h LEU 32 N 0.02 -0.67 -1.25 3.06 5.85 -1.10 -2.91 115.31 118.31 2kne h LEU 32 Ca 0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2kne h LEU 32 Cb 0.27 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2kne h LEU 32 CO 0.02 -0.46 0.52 1.23 -0.34 0.00 0.00 178.44 179.41 2kne h GLY 33 N -0.82 1.11 0.86 3.75 0.00 -1.23 -2.60 103.07 104.13 2kne h GLY 33 Ca -0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 2kne h GLY 33 CO 0.13 0.34 -0.20 -0.84 0.00 0.00 0.00 176.54 175.98 2kne h THR 34 N 0.98 0.58 -0.44 4.70 2.02 -1.29 -1.05 112.91 118.41 2kne h THR 34 Ca 0.31 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.53 2kne h THR 34 Cb 0.02 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 2kne h THR 34 CO -0.09 0.00 0.19 0.58 0.37 0.00 0.00 175.52 176.57 2kne h VAL 35 N -0.47 0.92 -0.80 3.16 2.07 -1.28 -2.00 116.25 117.86 2kne h VAL 35 Ca -0.02 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.40 2kne h VAL 35 Cb 0.41 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2kne h VAL 35 CO 0.00 0.07 0.51 -0.03 0.02 0.00 0.00 177.57 178.14 2kne h MET 36 N 0.38 0.95 -0.95 1.57 -1.53 -1.30 -0.94 114.93 113.12 2kne h MET 36 Ca 0.20 -0.06 0.18 0.00 -3.44 0.00 0.00 59.70 56.58 2kne h MET 36 Cb 0.14 -0.21 -0.08 0.00 -0.55 0.00 0.00 31.60 30.89 2kne h MET 36 CO -0.17 0.63 0.60 -0.09 0.14 0.00 0.00 176.91 178.03 2kne h ARG 37 N 0.98 0.62 0.00 0.39 2.43 -0.46 0.81 114.38 119.16 2kne h ARG 37 Ca 0.32 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2kne h ARG 37 Cb 0.03 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2kne h ARG 37 CO -0.12 0.41 -0.02 1.03 -1.51 0.00 0.00 179.97 179.76 2kne h SER 38 N 0.64 0.00 0.00 -3.80 0.87 -0.76 -0.35 113.55 110.15 2kne h SER 38 Ca 0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 2kne h SER 38 Cb 0.94 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2kne h SER 38 CO -0.27 0.02 0.00 0.18 -0.53 0.00 0.00 176.83 176.24 2kne n LEU 39 N -3.23 0.00 0.00 2.23 4.77 0.28 -4.84 117.00 116.21 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 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2kne n LEU 39 CO 0.24 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2kne n GLY 40 N 0.54 0.54 3.71 -0.72 0.00 -0.14 -5.06 105.19 104.05 2kne n GLY 40 Ca 0.18 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.31 2.55 -0.77 1.61 -1.52 -1.23 -5.07 119.66 113.92 2kne s GLN 41 Ca 0.00 -1.18 0.03 0.00 -1.95 0.00 0.00 55.36 52.26 2kne s GLN 41 Cb 0.00 -2.37 0.29 0.00 -0.22 0.00 0.00 33.01 30.71 2kne s GLN 41 CO 0.00 0.41 1.10 -1.71 -0.25 0.00 0.00 175.29 174.85 2kne n ASN 42 N -0.68 5.02 -4.77 5.90 2.85 -1.26 -4.39 115.26 117.92 2kne n ASN 42 Ca -0.08 -3.54 -0.40 0.00 -0.11 0.00 0.00 54.58 50.46 2kne n ASN 42 Cb 0.57 -0.84 0.01 0.00 1.24 0.00 0.00 39.78 40.76 2kne n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2kne s PRO 43 N -3.06 3.81 0.70 1.20 0.04 -1.26 -5.01 135.00 131.42 2kne s PRO 43 Ca 0.40 2.31 -0.09 0.00 0.04 0.00 0.00 61.00 63.66 2kne s PRO 43 Cb 0.17 -2.70 0.04 0.00 0.04 0.00 0.00 34.50 32.04 2kne s PRO 43 CO -0.03 -0.68 1.06 0.95 0.04 0.00 0.00 177.00 178.34 2kne s THR 44 N -1.23 2.97 0.19 1.26 -4.23 -1.26 -4.96 115.64 108.39 2kne s THR 44 Ca 0.59 0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 61.11 2kne s THR 44 Cb -0.41 -3.28 0.09 0.00 1.34 0.00 0.00 72.50 70.24 2kne s THR 44 CO 0.53 -0.34 1.82 1.05 -0.54 0.00 0.00 174.62 177.14 2kne h GLU 45 N -0.63 0.64 -0.16 3.99 4.11 -2.03 -1.53 114.58 118.97 2kne h GLU 45 Ca -0.45 -0.04 0.05 0.00 0.07 0.00 0.00 59.36 58.99 2kne h GLU 45 Cb 1.28 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2kne h GLU 45 CO 0.63 0.42 0.26 0.00 0.07 0.00 0.00 179.01 180.40 2kne h ALA 46 N 1.26 1.66 -0.59 1.06 0.00 -2.01 -0.38 119.26 120.27 2kne h ALA 46 Ca 0.23 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2kne h ALA 46 Cb 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2kne h ALA 46 CO -0.11 -0.35 0.03 1.49 0.00 0.00 0.00 179.25 180.30 2kne h GLU 47 N 0.00 1.00 -0.90 0.00 4.57 -1.64 -2.12 114.58 115.49 2kne h GLU 47 Ca 0.08 -0.29 0.08 0.00 -1.18 0.00 0.00 59.36 58.04 2kne h GLU 47 Cb 0.61 -0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 29.02 2kne h GLU 47 CO -0.00 0.97 0.56 -0.07 -1.18 0.00 0.00 179.01 179.28 2kne h LEU 48 N 0.93 0.86 0.49 1.64 4.07 -1.15 -1.69 115.31 120.45 2kne h LEU 48 Ca 0.17 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 2kne h LEU 48 Cb 0.50 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2kne h LEU 48 CO 0.02 0.53 -0.23 -0.61 -1.08 0.00 0.00 178.44 177.06 2kne h GLN 49 N 0.98 -0.63 -0.30 1.13 5.75 -1.52 -2.60 115.11 117.93 2kne h GLN 49 Ca 0.41 0.04 0.05 0.00 -0.15 0.00 0.00 58.65 59.00 2kne h GLN 49 Cb 0.25 0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.89 2kne h GLN 49 CO -0.20 -0.36 -0.02 0.22 -2.65 0.00 0.00 178.83 175.83 2kne h ASP 50 N -1.09 -0.16 0.32 -0.69 3.58 -1.31 -1.32 116.42 115.75 2kne h ASP 50 Ca -0.07 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2kne h ASP 50 Cb 0.57 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.75 2kne h ASP 50 CO 0.11 -0.04 -0.16 0.24 -2.88 0.00 0.00 179.24 176.51 2kne h MET 51 N 0.06 -0.42 -0.30 0.28 2.86 -1.43 -2.63 114.93 113.36 2kne h MET 51 Ca 0.14 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 2kne h MET 51 Cb 0.20 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 2kne h MET 51 CO -0.25 -0.16 0.14 0.82 1.06 0.00 0.00 176.91 178.51 2kne h ILE 52 N -0.62 0.97 -0.59 -1.22 1.08 -1.43 -2.28 117.51 113.42 2kne h ILE 52 Ca -0.04 -0.10 0.09 0.00 -0.39 0.00 0.00 64.86 64.42 2kne h ILE 52 Cb 0.45 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 2kne h ILE 52 CO 0.07 0.05 0.40 0.78 -0.69 0.00 0.00 178.15 178.76 2kne h ASN 53 N 0.30 0.37 -0.58 1.72 2.35 -1.25 -0.05 115.58 118.43 2kne h ASN 53 Ca 0.13 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.79 2kne h ASN 53 Cb 0.06 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2kne h ASN 53 CO -0.10 0.22 -0.02 -0.08 -1.65 0.00 0.00 177.43 175.80 2kne h GLU 54 N 0.41 1.05 0.00 0.81 4.57 -1.02 -3.08 114.58 117.33 2kne h GLU 54 Ca 0.27 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2kne h GLU 54 Cb 0.52 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2kne h GLU 54 CO -0.07 1.04 -0.66 0.28 -1.18 0.00 0.00 179.01 178.42 2kne h VAL 55 N 0.94 0.00 -0.94 0.32 2.07 -1.31 -3.43 116.25 113.90 2kne h VAL 55 Ca 0.16 -0.98 -0.61 0.00 0.82 0.00 0.00 66.70 66.09 2kne h VAL 55 Cb 0.58 1.65 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 2kne h VAL 55 CO 0.03 0.00 1.79 -0.62 0.02 0.00 0.00 177.57 178.79 2kne s ASP 56 N -5.60 6.52 0.30 0.57 2.15 -0.09 -4.83 116.67 115.70 2kne s ASP 56 Ca 0.02 -1.91 -0.01 0.00 0.43 0.00 0.00 52.55 51.08 2kne s ASP 56 Cb 0.08 -2.58 0.47 0.00 -0.30 0.00 0.00 42.92 40.60 2kne s ASP 56 CO 0.75 -1.49 1.93 0.00 -0.17 0.00 0.00 175.17 176.19 2kne h ALA 57 N 8.78 1.37 -0.01 3.66 0.00 -1.85 -2.64 119.26 128.57 2kne h ALA 57 Ca 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2kne h ALA 57 Cb 0.94 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2kne h ALA 57 CO 1.42 0.52 -0.07 -0.40 0.00 0.00 0.00 179.25 180.72 2kne n ASP 58 N -4.37 0.77 -1.73 0.00 5.75 -1.26 -4.92 116.55 110.78 2kne n ASP 58 Ca 0.07 -0.99 -0.19 0.00 -0.01 0.00 0.00 54.79 53.67 2kne n ASP 58 Cb 0.10 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.12 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 1.11 0.39 6.12 0.00 -1.00 -4.85 105.19 108.16 2kne n GLY 59 Ca 0.17 -0.08 0.13 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 -1.33 1.20 0.00 1.61 6.94 -1.26 -4.91 115.26 117.51 2kne n ASN 60 Ca -0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 54.58 52.86 2kne n ASN 60 Cb 0.65 -0.04 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 0.81 3.49 4.83 0.00 -1.26 -5.01 105.19 109.14 2kne n GLY 61 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.12 0.00 -0.16 2.61 -4.23 -1.26 -4.75 115.64 104.73 2kne s THR 62 Ca 0.00 -1.56 -0.03 0.00 -1.18 0.00 0.00 61.69 58.92 2kne s THR 62 Cb 0.00 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 2kne s THR 62 CO 0.00 0.00 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.39 2kne s ILE 63 N -3.94 3.59 0.49 2.99 -1.09 -1.08 -4.77 121.20 117.38 2kne s ILE 63 Ca 0.27 -0.46 0.07 0.00 -2.23 0.00 0.00 60.65 58.30 2kne s ILE 63 Cb 0.01 -2.57 0.07 0.00 -1.58 0.00 0.00 42.46 38.40 2kne s ILE 63 CO 0.11 0.49 0.61 0.47 -1.23 0.00 0.00 174.94 175.38 2kne n ASP 64 N 3.74 1.97 -0.04 3.58 8.00 -1.26 -1.74 116.55 130.80 2kne n ASP 64 Ca -0.18 -2.39 -0.09 0.00 0.71 0.00 0.00 54.79 52.85 2kne n ASP 64 Cb 0.52 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.22 0.08 -0.05 1.24 3.04 -1.99 -1.59 116.94 117.89 2kne h PHE 65 Ca -0.25 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.74 2kne h PHE 65 Cb 1.07 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.54 2kne h PHE 65 CO 0.00 0.03 -0.14 -1.35 -2.02 0.00 0.00 178.31 174.84 2kne h PRO 66 N 0.13 -0.20 0.00 6.41 0.11 -2.01 0.85 132.00 137.30 2kne h PRO 66 Ca 0.09 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2kne h PRO 66 Cb 0.07 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.23 2kne h PRO 66 CO -0.10 -0.13 0.00 0.93 -0.21 0.00 0.00 178.00 178.48 2kne h GLU 67 N -0.20 0.00 0.19 1.05 5.08 -1.93 -2.77 114.58 116.00 2kne h GLU 67 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2kne h GLU 67 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2kne h GLU 67 CO -0.17 0.00 -0.09 0.35 -1.00 0.00 0.00 179.01 178.10 2kne h PHE 68 N 0.00 -0.23 -0.61 4.33 3.57 0.16 -3.34 116.94 120.82 2kne h PHE 68 Ca 0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 2kne h PHE 68 Cb 0.05 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 2kne h PHE 68 CO 0.00 -0.06 0.30 -0.07 -2.23 0.00 0.00 178.31 176.25 2kne h LEU 69 N -1.05 0.40 -0.88 0.59 3.38 -0.99 -1.61 115.31 115.15 2kne h LEU 69 Ca -0.03 0.05 0.23 0.00 0.09 0.00 0.00 57.88 58.22 2kne h LEU 69 Cb 0.27 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.86 2kne h LEU 69 CO 0.04 0.26 0.25 0.71 0.09 0.00 0.00 178.44 179.79 2kne h THR 70 N 0.55 0.33 -0.01 0.22 1.35 -1.67 -0.43 112.91 113.24 2kne h THR 70 Ca 0.29 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 66.06 2kne h THR 70 Cb 0.25 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 2kne h THR 70 CO -0.22 0.04 -0.03 0.24 -0.25 0.00 0.00 175.52 175.30 2kne h MET 71 N 0.22 0.04 -0.88 4.72 2.86 -1.43 -3.18 114.93 117.30 2kne h MET 71 Ca 0.55 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 58.16 2kne h MET 71 Cb 1.11 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.74 2kne h MET 71 CO -0.64 0.63 0.52 0.52 1.06 0.00 0.00 176.91 179.00 2kne h MET 72 N -0.53 1.20 -0.27 1.72 2.07 -0.86 0.11 114.93 118.37 2kne h MET 72 Ca -0.00 -0.11 -0.05 0.00 -2.07 0.00 0.00 59.70 57.46 2kne h MET 72 Cb 0.63 -0.25 -0.02 0.00 -1.87 0.00 0.00 31.60 30.09 2kne h MET 72 CO 0.01 0.85 -0.05 0.00 1.07 0.00 0.00 176.91 178.78 2kne h ALA 73 N 1.28 1.41 0.00 6.32 0.00 -1.21 -2.75 119.26 124.31 2kne h ALA 73 Ca 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kne h ALA 73 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2kne h ALA 73 CO -0.06 0.41 -1.00 0.54 0.00 0.00 0.00 179.25 179.14 2kne n ARG 74 N -4.27 0.30 -1.77 0.00 1.74 -1.01 -4.63 116.66 107.01 2kne n ARG 74 Ca 0.01 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 2kne n ARG 74 Cb 0.26 -1.61 -0.01 0.00 -1.02 0.00 0.00 32.46 30.08 2kne n ARG 74 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2kne n LYS 75 N -2.00 2.61 -0.55 5.56 4.76 0.37 -4.50 118.16 124.40 2kne n LYS 75 Ca 0.02 -2.56 0.08 0.00 -2.87 0.00 0.00 58.31 52.98 2kne n LYS 75 Cb 0.44 -3.27 0.30 0.00 -1.84 0.00 0.00 35.03 30.66 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 6.70 3.52 -1.63 1.97 2.81 -1.26 -4.96 117.12 124.26 2kne n MET 76 Ca 0.51 -2.85 -0.49 0.00 -1.81 0.00 0.00 57.70 53.06 2kne n MET 76 Cb 0.41 -1.90 -0.05 0.00 -0.71 0.00 0.00 33.22 30.96 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 0.07 1.64 -3.01 0.03 4.81 -1.26 -4.91 118.16 115.54 2kne n LYS 77 Ca 0.23 0.59 -0.43 0.00 -0.87 0.00 0.00 58.31 57.82 2kne n LYS 77 Cb 0.92 -2.30 -0.05 0.00 0.02 0.00 0.00 35.03 33.62 2kne n LYS 77 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2kne s ASP 78 N 0.73 6.27 -0.20 3.14 2.15 -1.26 -5.02 116.67 122.48 2kne s ASP 78 Ca 0.82 -0.70 -0.21 0.00 0.43 0.00 0.00 52.55 52.88 2kne s ASP 78 Cb -0.82 -2.36 -0.02 0.00 -0.30 0.00 0.00 42.92 39.42 2kne s ASP 78 CO 0.43 -1.06 0.66 -0.89 -0.17 0.00 0.00 175.17 174.13 2kne s THR 79 N 3.24 4.99 -0.35 1.71 2.01 -1.26 -5.00 115.64 120.99 2kne s THR 79 Ca 0.22 1.25 -0.28 0.00 0.31 0.00 0.00 61.69 63.18 2kne s THR 79 Cb -0.16 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 2kne s THR 79 CO 0.15 0.09 1.72 -0.62 -0.69 0.00 0.00 174.62 175.26 2kne s ASP 80 N 1.21 5.99 0.55 3.53 2.15 -1.26 -4.80 116.67 124.04 2kne s ASP 80 Ca 0.30 1.20 0.05 0.00 0.43 0.00 0.00 52.55 54.53 2kne s ASP 80 Cb -0.16 -2.53 0.16 0.00 -0.30 0.00 0.00 42.92 40.10 2kne s ASP 80 CO 0.10 -1.65 0.91 -1.20 -0.17 0.00 0.00 175.17 173.16 2kne n SER 81 N 9.97 0.00 0.05 -0.34 7.64 -1.26 0.12 113.62 129.80 2kne n SER 81 Ca 0.22 0.47 -0.06 0.00 1.01 0.00 0.00 58.87 60.51 2kne n SER 81 Cb 0.47 -0.05 0.13 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.38 -1.00 1.43 3.07 -2.01 -3.17 114.58 113.28 2kne h GLU 82 Ca 0.09 -0.22 0.21 0.00 -0.50 0.00 0.00 59.36 58.95 2kne h GLU 82 Cb 1.87 0.01 -0.11 0.00 -0.84 0.00 0.00 28.75 29.69 2kne h GLU 82 CO -0.00 0.79 0.61 1.49 -1.40 0.00 0.00 179.01 180.50 2kne h GLU 83 N 0.31 0.63 -0.01 2.33 4.81 0.51 0.23 114.58 123.39 2kne h GLU 83 Ca 0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2kne h GLU 83 Cb 0.97 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2kne h GLU 83 CO 0.08 0.42 -0.23 0.39 -0.73 0.00 0.00 179.01 178.94 2kne n GLU 84 N -4.76 0.69 0.00 1.92 1.02 -1.20 -3.99 120.64 114.33 2kne n GLU 84 Ca 0.24 -0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2kne n GLU 84 Cb 0.66 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 2kne n GLU 84 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2kne n ILE 85 N -0.84 0.00 0.05 -3.67 2.08 0.81 -3.08 119.36 114.71 2kne n ILE 85 Ca 0.12 0.71 -0.12 0.00 0.56 0.00 0.00 62.75 64.02 2kne n ILE 85 Cb 0.33 -1.45 -0.08 0.00 -0.75 0.00 0.00 39.64 37.69 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 -0.05 -0.95 0.38 3.08 -1.77 -2.98 114.38 112.09 2kne h ARG 86 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.18 2kne h ARG 86 Cb 0.00 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 29.98 2kne h ARG 86 CO 0.00 0.04 0.61 1.05 -1.07 0.00 0.00 179.97 180.59 2kne h GLU 87 N -0.12 0.84 0.00 0.04 4.11 -1.77 0.31 114.58 117.99 2kne h GLU 87 Ca -0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 2kne h GLU 87 Cb 0.11 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2kne h GLU 87 CO 0.01 0.56 -0.00 0.00 0.07 0.00 0.00 179.01 179.64 2kne h ALA 88 N 1.57 1.00 -0.02 1.06 0.00 -1.45 -2.17 119.26 119.24 2kne h ALA 88 Ca 0.47 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 2kne h ALA 88 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2kne h ALA 88 CO -0.24 0.00 -0.16 0.35 0.00 0.00 0.00 179.25 179.20 2kne h PHE 89 N 0.00 0.20 -0.93 0.00 3.57 -0.38 -3.06 116.94 116.34 2kne h PHE 89 Ca -0.00 -0.10 0.11 0.00 3.53 0.00 0.00 57.97 61.52 2kne h PHE 89 Cb 0.04 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.67 2kne h PHE 89 CO 0.00 0.82 0.56 -0.09 -2.23 0.00 0.00 178.31 177.37 2kne h ARG 90 N -0.47 0.87 -0.43 1.11 2.43 -1.36 0.26 114.38 116.80 2kne h ARG 90 Ca -0.01 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 2kne h ARG 90 Cb 0.85 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2kne h ARG 90 CO 0.03 0.58 0.02 0.28 -1.51 0.00 0.00 179.97 179.37 2kne h VAL 91 N 0.90 1.26 -0.41 0.20 2.07 -1.62 -3.08 116.25 115.56 2kne h VAL 91 Ca 0.46 -0.99 -0.14 0.00 0.82 0.00 0.00 66.70 66.86 2kne h VAL 91 Cb 0.46 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2kne h VAL 91 CO -0.27 0.34 -0.29 -0.26 0.02 0.00 0.00 177.57 177.11 2kne h PHE 92 N 0.58 1.04 -1.93 1.57 -1.00 -1.17 -3.31 116.94 112.72 2kne h PHE 92 Ca 0.12 -0.27 -0.71 0.00 2.81 0.00 0.00 57.97 59.92 2kne h PHE 92 Cb 0.45 -0.23 -0.16 0.00 3.61 0.00 0.00 35.95 39.63 2kne h PHE 92 CO 0.03 1.07 1.40 0.34 -1.61 0.00 0.00 178.31 179.55 2kne s ASP 93 N -6.78 6.91 0.12 2.17 -1.08 0.83 -4.65 116.67 114.18 2kne s ASP 93 Ca -0.10 -2.61 -0.20 0.00 -0.52 0.00 0.00 52.55 49.11 2kne s ASP 93 Cb 0.12 -2.44 -0.06 0.00 -1.46 0.00 0.00 42.92 39.08 2kne s ASP 93 CO 0.86 -0.93 1.73 0.50 0.52 0.00 0.00 175.17 177.85 2kne h LYS 94 N 7.74 0.07 -0.22 4.34 3.64 -1.70 -2.63 116.57 127.80 2kne h LYS 94 Ca 0.30 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2kne h LYS 94 Cb 0.91 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2kne h LYS 94 CO 1.26 0.04 0.00 -0.40 -2.27 0.00 0.00 179.45 178.09 2kne n ASP 95 N -5.11 1.93 -3.86 4.20 5.75 -1.26 -4.94 116.55 113.26 2kne n ASP 95 Ca -0.03 -1.79 -0.25 0.00 -0.01 0.00 0.00 54.79 52.71 2kne n ASP 95 Cb 0.08 -0.14 0.01 0.00 -1.03 0.00 0.00 41.12 40.04 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 1.17 -0.29 0.64 6.12 0.00 -0.99 -4.84 105.19 106.99 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 -2.98 1.88 0.00 1.61 2.04 -1.26 -4.89 115.26 111.66 2kne n ASN 97 Ca -0.25 -1.83 0.00 0.00 -0.44 0.00 0.00 54.58 52.06 2kne n ASN 97 Cb 0.66 -0.17 0.00 0.00 -2.53 0.00 0.00 39.78 37.74 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 1.14 0.85 3.04 4.83 0.00 -1.26 -5.02 105.19 108.76 2kne n GLY 98 Ca 0.15 0.00 -0.08 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 -3.32 0.33 -0.31 1.61 2.02 -1.26 -4.73 117.35 111.68 2kne s TYR 99 Ca 0.00 -0.69 -0.15 0.00 -0.37 0.00 0.00 57.07 55.87 2kne s TYR 99 Cb 0.00 -0.24 -0.02 0.00 -0.40 0.00 0.00 41.96 41.29 2kne s TYR 99 CO 0.00 -0.28 0.34 0.42 -1.57 0.00 0.00 175.55 174.46 2kne s ILE 100 N -2.41 5.19 0.29 2.71 1.01 -1.18 -4.69 121.20 122.11 2kne s ILE 100 Ca -0.07 0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.72 2kne s ILE 100 Cb -0.03 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.63 2kne s ILE 100 CO -0.04 0.02 0.59 -0.44 0.00 0.00 0.00 174.94 175.07 2kne s SER 101 N 1.71 6.54 0.17 3.58 0.01 -1.26 -3.28 113.70 121.17 2kne s SER 101 Ca 0.12 0.89 -0.15 0.00 1.31 0.00 0.00 55.95 58.12 2kne s SER 101 Cb -0.16 -2.21 0.10 0.00 0.21 0.00 0.00 66.02 63.95 2kne s SER 101 CO 0.11 -0.18 1.76 0.00 0.41 0.00 0.00 173.24 175.33 2kne h ALA 102 N 1.97 0.50 -1.00 1.44 0.00 -1.97 -1.49 119.26 118.70 2kne h ALA 102 Ca -0.47 0.05 0.18 0.00 0.00 0.00 0.00 54.91 54.66 2kne h ALA 102 Cb 1.18 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 2kne h ALA 102 CO 0.67 -0.23 0.62 0.00 0.00 0.00 0.00 179.25 180.31 2kne h ALA 103 N 1.26 1.65 -0.53 0.00 0.00 -1.99 0.56 119.26 120.21 2kne h ALA 103 Ca 0.19 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2kne h ALA 103 Cb 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2kne h ALA 103 CO -0.19 0.01 0.02 0.93 0.00 0.00 0.00 179.25 180.02 2kne h GLU 104 N 0.81 0.93 -0.28 0.00 5.08 -1.62 -3.12 114.58 116.38 2kne h GLU 104 Ca 0.56 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2kne h GLU 104 Cb 0.81 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2kne h GLU 104 CO -0.35 0.94 0.12 1.25 -1.00 0.00 0.00 179.01 179.96 2kne h LEU 105 N 0.80 0.38 -0.92 1.33 5.85 -0.25 -3.03 115.31 119.47 2kne h LEU 105 Ca 0.15 -0.16 0.27 0.00 0.84 0.00 0.00 57.88 58.98 2kne h LEU 105 Cb 0.51 -0.10 -0.16 0.00 0.37 0.00 0.00 40.66 41.28 2kne h LEU 105 CO 0.02 0.44 0.23 -0.09 -0.34 0.00 0.00 178.44 178.70 2kne h ARG 106 N 0.31 0.13 0.00 1.25 2.43 -1.11 0.93 114.38 118.32 2kne h ARG 106 Ca 0.09 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2kne h ARG 106 Cb 0.17 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2kne h ARG 106 CO -0.01 0.09 -0.16 1.25 -1.51 0.00 0.00 179.97 179.63 2kne h HIS 107 N 0.14 0.00 -0.85 2.20 2.76 -1.58 -2.82 115.15 115.00 2kne h HIS 107 Ca 0.60 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.83 2kne h HIS 107 Cb 1.29 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.19 2kne h HIS 107 CO -0.29 0.16 0.53 0.28 -1.30 0.00 0.00 177.93 177.32 2kne h VAL 108 N 0.00 1.06 -0.70 5.26 2.07 0.85 -2.52 116.25 122.28 2kne h VAL 108 Ca -0.00 -0.34 0.13 0.00 0.82 0.00 0.00 66.70 67.31 2kne h VAL 108 Cb 0.30 -0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 29.98 2kne h VAL 108 CO 0.02 0.18 0.23 0.24 0.02 0.00 0.00 177.57 178.27 2kne h MET 109 N 0.98 0.36 -0.95 1.57 2.07 -1.50 -1.29 114.93 116.17 2kne h MET 109 Ca 0.36 -0.02 0.09 0.00 -2.07 0.00 0.00 59.70 58.06 2kne h MET 109 Cb 0.13 -0.08 -0.07 0.00 -1.87 0.00 0.00 31.60 29.70 2kne h MET 109 CO -0.16 0.24 0.59 1.15 1.07 0.00 0.00 176.91 179.80 2kne h THR 110 N 0.37 0.99 -0.64 2.22 2.02 -1.59 0.20 112.91 116.48 2kne h THR 110 Ca 0.38 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 67.13 2kne h THR 110 Cb 0.57 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 2kne h THR 110 CO -0.41 0.18 0.09 0.78 0.37 0.00 0.00 175.52 176.54 2kne h ASN 111 N 1.01 1.03 1.20 4.18 2.35 -1.24 -2.75 115.58 121.36 2kne h ASN 111 Ca 0.44 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2kne h ASN 111 Cb 0.32 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2kne h ASN 111 CO -0.22 1.04 -0.10 0.18 -1.65 0.00 0.00 177.43 176.68 2kne n LEU 112 N -4.24 0.53 -0.51 1.61 4.77 -0.57 -4.93 117.00 113.66 2kne n LEU 112 Ca 0.04 0.48 -0.05 0.00 -0.03 0.00 0.00 56.01 56.45 2kne n LEU 112 Cb 0.30 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2kne n LEU 112 CO 0.43 -0.09 -0.06 0.61 -1.33 0.00 0.00 177.39 176.95 2kne n GLY 113 N 1.38 0.23 0.15 -0.72 0.00 0.60 -4.94 105.19 101.89 2kne n GLY 113 Ca 0.06 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 0.00 -6.75 1.61 4.39 -1.68 -3.48 114.58 108.67 2kne h GLU 114 Ca -0.11 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.04 2kne h GLU 114 Cb 1.01 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.67 2kne h GLU 114 CO 0.13 0.13 -1.00 1.63 -1.16 0.00 0.00 179.01 178.74 2kne n LYS 115 N -2.93 -0.53 -2.81 2.33 5.02 -1.26 -4.90 118.16 113.08 2kne n LYS 115 Ca -0.00 0.21 -0.34 0.00 -2.02 0.00 0.00 58.31 56.15 2kne n LYS 115 Cb 0.62 -2.90 -0.07 0.00 -0.02 0.00 0.00 35.03 32.66 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 -7.09 4.06 0.85 -0.35 1.43 -1.26 -5.08 118.68 111.24 2kne s LEU 116 Ca 0.47 1.73 -0.11 0.00 -1.03 0.00 0.00 54.13 55.18 2kne s LEU 116 Cb -0.23 -4.39 0.14 0.00 0.03 0.00 0.00 46.19 41.74 2kne s LEU 116 CO 0.94 -0.27 1.19 0.42 0.23 0.00 0.00 176.35 178.86 2kne s THR 117 N -2.02 2.07 0.18 5.49 -4.23 -1.26 -4.87 115.64 111.01 2kne s THR 117 Ca 0.59 -0.15 -0.13 0.00 -1.18 0.00 0.00 61.69 60.82 2kne s THR 117 Cb -0.12 -2.92 0.09 0.00 1.34 0.00 0.00 72.50 70.89 2kne s THR 117 CO 0.16 0.00 1.81 -0.78 -0.54 0.00 0.00 174.62 175.27 2kne h ASP 118 N -1.17 0.48 -0.04 3.99 1.82 -1.99 -1.45 116.42 118.06 2kne h ASP 118 Ca -0.43 0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.24 2kne h ASP 118 Cb 1.27 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.17 2kne h ASP 118 CO 0.47 0.33 -0.09 -0.08 -1.61 0.00 0.00 179.24 178.26 2kne h GLU 119 N 0.60 -0.13 -0.03 0.28 4.57 -2.00 -1.93 114.58 115.94 2kne h GLU 119 Ca 0.23 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.34 2kne h GLU 119 Cb 0.08 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2kne h GLU 119 CO -0.13 -0.09 -0.35 0.93 -1.18 0.00 0.00 179.01 178.19 2kne h GLU 120 N -0.14 0.06 -0.66 1.92 4.39 -1.88 -1.51 114.58 116.77 2kne h GLU 120 Ca 0.05 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 2kne h GLU 120 Cb 0.20 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2kne h GLU 120 CO -0.12 0.40 0.23 0.28 -1.16 0.00 0.00 179.01 178.64 2kne h VAL 121 N 0.05 1.25 -0.47 3.13 2.07 -0.88 -2.31 116.25 119.09 2kne h VAL 121 Ca 0.00 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.60 2kne h VAL 121 Cb 0.65 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2kne h VAL 121 CO 0.05 0.32 -0.13 0.44 0.02 0.00 0.00 177.57 178.27 2kne h ASP 122 N 0.94 0.87 0.21 0.57 3.32 -0.96 -3.05 116.42 118.32 2kne h ASP 122 Ca 0.21 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2kne h ASP 122 Cb 0.26 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 2kne h ASP 122 CO -0.01 1.00 -0.13 -0.33 -1.72 0.00 0.00 179.24 178.05 2kne h GLU 123 N 0.78 -0.32 -0.63 3.56 5.08 -0.76 -1.99 114.58 120.30 2kne h GLU 123 Ca 0.12 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.59 2kne h GLU 123 Cb 0.65 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.90 2kne h GLU 123 CO 0.04 -0.21 0.28 0.52 -1.00 0.00 0.00 179.01 178.64 2kne h MET 124 N -0.33 0.49 -0.56 2.33 2.86 -1.47 -1.67 114.93 116.59 2kne h MET 124 Ca -0.02 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2kne h MET 124 Cb 0.28 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 2kne h MET 124 CO 0.02 0.32 0.35 0.82 1.06 0.00 0.00 176.91 179.47 2kne h ILE 125 N 0.50 1.08 -0.59 -1.22 2.04 -1.39 -2.23 117.51 115.70 2kne h ILE 125 Ca 0.31 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 2kne h ILE 125 Cb 0.33 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2kne h ILE 125 CO -0.27 0.13 0.31 0.03 0.00 0.00 0.00 178.15 178.35 2kne h ARG 126 N 0.69 0.82 -0.89 2.37 3.08 -0.56 -0.53 114.38 119.36 2kne h ARG 126 Ca 0.22 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 60.22 2kne h ARG 126 Cb -0.01 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 29.82 2kne h ARG 126 CO -0.08 0.61 0.57 0.93 -1.07 0.00 0.00 179.97 180.93 2kne h GLU 127 N 0.82 1.07 0.00 0.04 5.08 -0.74 -2.77 114.58 118.08 2kne h GLU 127 Ca 0.21 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2kne h GLU 127 Cb 0.04 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.05 2kne h GLU 127 CO -0.03 0.71 -1.09 0.00 -1.00 0.00 0.00 179.01 177.60 2kne n ALA 128 N -2.35 3.01 -2.11 3.43 0.00 -1.07 -4.81 120.51 116.61 2kne n ALA 128 Ca 0.12 -0.35 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 2kne n ALA 128 Cb 0.10 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 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 -4.46 5.33 0.40 0.00 2.15 -0.23 -4.76 116.67 115.10 2kne s ASP 129 Ca 0.01 -0.60 0.28 0.00 0.43 0.00 0.00 52.55 52.68 2kne s ASP 129 Cb 0.13 -2.56 1.15 0.00 -0.30 0.00 0.00 42.92 41.35 2kne s ASP 129 CO 0.80 -2.54 1.84 0.40 -0.17 0.00 0.00 175.17 175.51 2kne h ILE 130 N 7.13 0.00 -3.63 4.11 2.04 -1.87 -3.43 117.51 121.86 2kne h ILE 130 Ca 0.05 -0.38 -0.19 0.00 1.00 0.00 0.00 64.86 65.34 2kne h ILE 130 Cb 1.03 1.25 -0.25 0.00 -0.74 0.00 0.00 36.82 38.12 2kne h ILE 130 CO 1.24 0.00 -0.61 1.51 0.00 0.00 0.00 178.15 180.28 2kne s ASP 131 N -4.96 0.01 -0.28 1.72 -4.77 -1.26 -5.06 116.67 102.07 2kne s ASP 131 Ca 0.03 -0.05 -0.04 0.00 -3.30 0.00 0.00 52.55 49.18 2kne s ASP 131 Cb 0.09 0.16 -0.12 0.00 -1.09 0.00 0.00 42.92 41.96 2kne s ASP 131 CO 0.47 -0.15 2.20 0.61 0.70 0.00 0.00 175.17 179.00 2kne n GLY 132 N 2.41 2.42 0.10 2.12 0.00 -1.26 -4.20 105.19 106.78 2kne n GLY 132 Ca -0.17 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.25 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 3.18 0.75 0.00 1.61 5.75 -1.26 -4.95 116.55 121.63 2kne n ASP 133 Ca 0.30 -0.55 0.00 0.00 -0.01 0.00 0.00 54.79 54.53 2kne n ASP 133 Cb 0.40 0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 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 1.44 0.68 3.13 6.12 0.00 -1.26 -5.00 105.19 110.30 2kne n GLY 134 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.21 0.72 -0.26 1.61 -0.21 -1.26 -4.76 119.66 115.28 2kne s GLN 135 Ca 0.00 -1.19 -0.09 0.00 0.02 0.00 0.00 55.36 54.11 2kne s GLN 135 Cb 0.00 -0.14 -0.03 0.00 1.00 0.00 0.00 33.01 33.83 2kne s GLN 135 CO 0.00 -0.02 0.12 0.54 -2.12 0.00 0.00 175.29 173.80 2kne s VAL 136 N -3.19 4.66 0.83 1.09 0.11 -1.21 -4.86 120.40 117.83 2kne s VAL 136 Ca 0.06 -0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 58.95 2kne s VAL 136 Cb 0.02 -3.21 0.15 0.00 -1.53 0.00 0.00 36.38 31.82 2kne s VAL 136 CO -0.05 0.29 1.15 0.20 -3.33 0.00 0.00 175.10 173.36 2kne s ASN 137 N 1.66 3.82 0.19 3.54 0.01 -1.26 -3.09 114.94 119.82 2kne s ASN 137 Ca 0.06 -0.01 -0.10 0.00 -0.71 0.00 0.00 52.86 52.10 2kne s ASN 137 Cb -0.16 -0.24 0.12 0.00 0.41 0.00 0.00 41.25 41.39 2kne s ASN 137 CO 0.06 -2.24 1.80 0.22 -1.51 0.00 0.00 177.10 175.43 2kne h TYR 138 N -1.04 0.98 -0.43 2.20 3.20 -1.98 -1.09 116.97 118.81 2kne h TYR 138 Ca -0.41 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.42 2kne h TYR 138 Cb 1.26 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 2kne h TYR 138 CO -0.59 0.71 0.24 0.93 -1.64 0.00 0.00 178.16 177.82 2kne h GLU 139 N 0.97 0.59 -0.43 1.82 5.08 -1.99 -1.27 114.58 119.34 2kne h GLU 139 Ca 0.24 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2kne h GLU 139 Cb 0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2kne h GLU 139 CO -0.04 0.47 -0.07 0.93 -1.00 0.00 0.00 179.01 179.30 2kne h GLU 140 N 0.56 0.75 -0.43 2.33 5.08 -1.81 -1.81 114.58 119.25 2kne h GLU 140 Ca 0.15 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2kne h GLU 140 Cb 0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2kne h GLU 140 CO -0.03 0.81 0.25 0.35 -1.00 0.00 0.00 179.01 179.40 2kne h PHE 141 N 0.69 0.58 -0.24 4.33 3.57 -0.78 -2.68 116.94 122.42 2kne h PHE 141 Ca 0.12 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2kne h PHE 141 Cb 0.53 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2kne h PHE 141 CO 0.03 0.42 0.02 0.28 -2.23 0.00 0.00 178.31 176.83 2kne h VAL 142 N 0.57 1.24 -0.79 1.41 2.07 -1.06 -1.98 116.25 117.70 2kne h VAL 142 Ca 0.15 -0.83 0.16 0.00 0.82 0.00 0.00 66.70 67.01 2kne h VAL 142 Cb 0.02 1.32 -0.10 0.00 -1.52 0.00 0.00 31.29 31.01 2kne h VAL 142 CO -0.03 0.26 0.30 -0.61 0.02 0.00 0.00 177.57 177.52 2kne h GLN 143 N 0.20 0.40 -0.18 1.57 5.75 -1.18 0.37 115.11 122.03 2kne h GLN 143 Ca 0.07 -0.02 -0.21 0.00 -0.15 0.00 0.00 58.65 58.34 2kne h GLN 143 Cb 0.37 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 28.83 2kne h GLN 143 CO 0.01 0.26 -0.72 0.52 -2.65 0.00 0.00 178.83 176.25 2kne h MET 144 N 0.41 0.77 -0.02 1.69 2.86 -1.32 -2.94 114.93 116.38 2kne h MET 144 Ca 0.45 -0.59 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 2kne h MET 144 Cb 0.74 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2kne h MET 144 CO -0.45 1.21 -0.27 0.52 1.06 0.00 0.00 176.91 178.98 2kne h MET 145 N 0.54 0.22 -1.11 1.72 2.86 -0.62 -3.25 114.93 115.29 2kne h MET 145 Ca -0.03 -0.21 -0.28 0.00 -2.06 0.00 0.00 59.70 57.12 2kne h MET 145 Cb 1.34 0.05 -0.15 0.00 0.06 0.00 0.00 31.60 32.90 2kne h MET 145 CO 0.15 0.90 0.35 0.25 1.06 0.00 0.00 176.91 179.62 2kne n THR 146 N -4.49 2.26 -2.64 2.22 -2.24 0.12 -4.83 114.28 104.68 2kne n THR 146 Ca -0.09 -1.12 -0.42 0.00 -2.27 0.00 0.00 64.05 60.15 2kne n THR 146 Cb 0.49 -0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.70 2.89 0.00 6.98 0.00 -1.11 -4.94 121.76 123.88 2kne s ALA 147 Ca 0.29 -2.41 0.00 0.00 0.00 0.00 0.00 51.96 49.84 2kne s ALA 147 Cb 0.24 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2kne s ALA 147 CO 0.04 -3.47 0.00 1.17 0.00 0.00 0.00 175.76 173.50