#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 0.90 0.00 0.00 2.03 -2.00 -3.46 116.42 113.89 2kne h ASP 2 Ca 0.00 -0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.10 2kne h ASP 2 Cb 0.00 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.27 2kne h ASP 2 CO 0.00 0.86 0.00 0.00 -1.03 0.00 0.00 179.24 179.07 2kne n GLN 3 N -4.39 0.00 -0.05 4.15 10.64 -1.26 -4.93 117.38 121.55 2kne n GLN 3 Ca 0.04 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.21 2kne n GLN 3 Cb 0.20 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.45 2kne n GLN 3 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2kne n LEU 4 N 0.00 0.00 -4.76 2.61 4.77 -1.26 -4.93 117.00 113.43 2kne n LEU 4 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 2kne n LEU 4 Cb 0.00 0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 2kne n LEU 4 CO 0.00 0.22 0.61 0.42 -1.33 0.00 0.00 177.39 177.31 2kne s THR 5 N -2.78 4.14 0.14 -5.08 -4.23 -1.26 -4.96 115.64 101.61 2kne s THR 5 Ca -0.07 1.99 -0.28 0.00 -1.18 0.00 0.00 61.69 62.15 2kne s THR 5 Cb 0.08 -4.27 -0.04 0.00 1.34 0.00 0.00 72.50 69.61 2kne s THR 5 CO 0.70 0.49 1.59 -0.08 -0.54 0.00 0.00 174.62 176.78 2kne h GLU 6 N 4.14 -0.43 -0.91 3.99 4.81 -2.02 -1.59 114.58 122.58 2kne h GLU 6 Ca -0.46 0.03 0.34 0.00 -0.13 0.00 0.00 59.36 59.14 2kne h GLU 6 Cb 1.20 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 30.56 2kne h GLU 6 CO 0.67 -0.29 0.55 -1.91 -0.73 0.00 0.00 179.01 177.31 2kne n GLU 7 N -5.43 -0.03 -0.10 1.92 2.13 -1.26 0.23 120.64 118.10 2kne n GLU 7 Ca -0.03 0.98 -0.10 0.00 0.66 0.00 0.00 57.16 58.66 2kne n GLU 7 Cb 0.35 -1.85 0.03 0.00 0.27 0.00 0.00 31.44 30.25 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 0.84 -0.52 5.31 4.20 -1.68 -1.48 115.11 121.78 2kne h GLN 8 Ca 0.65 -0.40 0.05 0.00 0.06 0.00 0.00 58.65 59.01 2kne h GLN 8 Cb 1.93 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.65 2kne h GLN 8 CO -0.45 1.04 0.25 0.82 -0.67 0.00 0.00 178.83 179.83 2kne h ILE 9 N 0.71 0.94 -0.23 2.54 2.04 0.29 -0.39 117.51 123.41 2kne h ILE 9 Ca 0.08 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.82 2kne h ILE 9 Cb 0.87 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 2kne h ILE 9 CO 0.08 0.09 -0.14 0.00 0.00 0.00 0.00 178.15 178.18 2kne h ALA 10 N 1.29 0.04 -0.25 1.87 0.00 -1.09 0.84 119.26 121.97 2kne h ALA 10 Ca 0.23 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2kne h ALA 10 Cb 0.16 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kne h ALA 10 CO -0.17 -0.55 0.14 1.49 0.00 0.00 0.00 179.25 180.15 2kne h GLU 11 N -0.12 0.34 -0.64 0.00 4.22 -0.61 -2.89 114.58 114.88 2kne h GLU 11 Ca 0.13 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.49 2kne h GLU 11 Cb 0.31 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2kne h GLU 11 CO -0.30 0.30 0.25 0.74 -2.18 0.00 0.00 179.01 177.81 2kne h PHE 12 N 0.29 0.95 -0.11 0.92 0.04 -0.83 -3.01 116.94 115.20 2kne h PHE 12 Ca 0.09 -0.06 0.04 0.00 2.80 0.00 0.00 57.97 60.84 2kne h PHE 12 Cb 0.05 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 37.87 2kne h PHE 12 CO -0.04 0.73 -0.17 -0.22 -0.60 0.00 0.00 178.31 178.02 2kne h LYS 13 N 0.92 -0.21 -1.01 1.51 3.64 -0.62 -1.23 116.57 119.58 2kne h LYS 13 Ca 0.22 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.80 2kne h LYS 13 Cb 0.19 0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 31.95 2kne h LYS 13 CO -0.02 -0.14 0.61 0.93 -2.27 0.00 0.00 179.45 178.56 2kne h GLU 14 N -0.22 0.74 -0.87 1.90 5.08 -1.47 0.23 114.58 119.96 2kne h GLU 14 Ca 0.09 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 2kne h GLU 14 Cb 0.35 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 2kne h GLU 14 CO -0.24 0.49 0.57 0.00 -1.00 0.00 0.00 179.01 178.83 2kne h ALA 15 N 1.65 1.60 -0.80 3.43 0.00 -1.23 -2.61 119.26 121.31 2kne h ALA 15 Ca 0.58 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.52 2kne h ALA 15 Cb 0.92 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2kne h ALA 15 CO -0.39 0.25 0.50 0.74 0.00 0.00 0.00 179.25 180.35 2kne h PHE 16 N 0.92 0.93 0.00 0.00 -1.00 -0.72 -0.84 116.94 116.23 2kne h PHE 16 Ca 0.39 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.19 2kne h PHE 16 Cb 0.30 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.55 2kne h PHE 16 CO -0.00 0.51 0.00 0.45 -1.61 0.00 0.00 178.31 177.66 2kne n SER 17 N -4.62 0.63 -0.21 2.17 2.88 -0.98 -2.31 113.62 111.17 2kne n SER 17 Ca 0.10 0.72 -0.07 0.00 -1.33 0.00 0.00 58.87 58.28 2kne n SER 17 Cb 0.12 -0.83 0.03 0.00 -0.75 0.00 0.00 64.21 62.78 2kne n SER 17 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2kne h LEU 18 N 0.00 0.78 0.00 2.46 6.46 -1.18 -3.25 115.31 120.58 2kne h LEU 18 Ca 0.00 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 2kne h LEU 18 Cb 0.19 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 2kne h LEU 18 CO 0.00 0.71 -0.99 2.22 -0.62 0.00 0.00 178.44 179.76 2kne n PHE 19 N -4.51 0.00 -2.34 1.25 1.16 -1.14 -4.86 117.46 107.01 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 0.14 -0.09 -0.03 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 -2.81 5.86 0.07 5.98 1.01 -0.98 -4.78 116.67 121.02 2kne s ASP 20 Ca 0.03 -0.64 -0.21 0.00 0.71 0.00 0.00 52.55 52.44 2kne s ASP 20 Cb 0.11 -2.56 -0.12 0.00 1.01 0.00 0.00 42.92 41.37 2kne s ASP 20 CO 0.64 -2.05 1.54 0.50 0.21 0.00 0.00 175.17 176.02 2kne h LYS 21 N 11.23 0.24 -0.35 8.23 3.64 -1.89 -3.26 116.57 134.41 2kne h LYS 21 Ca -0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2kne h LYS 21 Cb 1.05 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2kne h LYS 21 CO 1.30 0.42 0.00 -0.40 -2.27 0.00 0.00 179.45 178.49 2kne n ASP 22 N -4.81 3.52 -4.07 4.20 5.68 -1.26 -5.00 116.55 114.81 2kne n ASP 22 Ca -0.05 -2.46 -0.44 0.00 -0.50 0.00 0.00 54.79 51.35 2kne n ASP 22 Cb 0.17 -0.40 0.02 0.00 -1.14 0.00 0.00 41.12 39.77 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 0.18 -0.75 0.12 6.12 0.00 -1.23 -4.82 105.19 104.81 2kne n GLY 23 Ca 0.17 0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.62 2kne n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kne n ASP 24 N -1.88 0.62 0.00 1.61 8.00 -1.26 -4.91 116.55 118.73 2kne n ASP 24 Ca -0.11 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 54.91 2kne n ASP 24 Cb 0.52 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 2kne n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kne n GLY 25 N 1.38 0.79 3.06 0.44 0.00 -1.26 -5.04 105.19 104.56 2kne n GLY 25 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.74 0.21 -0.20 2.61 -4.23 -1.26 -4.79 115.64 105.23 2kne s THR 26 Ca 0.00 -1.52 -0.21 0.00 -1.18 0.00 0.00 61.69 58.79 2kne s THR 26 Cb 0.00 -1.11 -0.02 0.00 1.34 0.00 0.00 72.50 72.70 2kne s THR 26 CO 0.00 -0.83 0.63 -0.63 -0.54 0.00 0.00 174.62 173.25 2kne s ILE 27 N -3.09 5.02 0.30 2.99 1.09 -0.91 -4.96 121.20 121.64 2kne s ILE 27 Ca -0.00 1.18 0.09 0.00 -1.10 0.00 0.00 60.65 60.81 2kne s ILE 27 Cb 0.02 -3.94 -0.04 0.00 -1.06 0.00 0.00 42.46 37.43 2kne s ILE 27 CO -0.07 0.10 0.10 0.42 -0.10 0.00 0.00 174.94 175.39 2kne s THR 28 N 1.97 3.33 0.29 2.92 -4.23 -1.26 -2.79 115.64 115.87 2kne s THR 28 Ca 0.28 -1.74 -0.03 0.00 -1.18 0.00 0.00 61.69 59.02 2kne s THR 28 Cb -0.16 -2.98 0.25 0.00 1.34 0.00 0.00 72.50 70.96 2kne s THR 28 CO 0.10 -0.27 1.95 0.71 -0.54 0.00 0.00 174.62 176.57 2kne h THR 29 N 1.66 1.22 0.77 3.99 1.35 -1.93 -2.08 112.91 117.90 2kne h THR 29 Ca -0.44 -0.44 -0.04 0.00 -0.55 0.00 0.00 66.41 64.94 2kne h THR 29 Cb 1.25 0.00 0.01 0.00 -1.73 0.00 0.00 68.15 67.68 2kne h THR 29 CO 0.62 0.22 -0.38 0.11 -0.25 0.00 0.00 175.52 175.84 2kne h LYS 30 N 1.15 -1.02 0.00 4.72 1.79 -1.98 -2.55 116.57 118.69 2kne h LYS 30 Ca 0.31 0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.83 2kne h LYS 30 Cb -0.10 0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2kne h LYS 30 CO -0.06 -0.68 -0.08 1.05 -1.08 0.00 0.00 179.45 178.60 2kne h GLU 31 N -1.05 0.00 0.27 3.15 4.11 -1.88 -2.55 114.58 116.62 2kne h GLU 31 Ca -0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 2kne h GLU 31 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2kne h GLU 31 CO 0.17 0.08 -0.13 1.25 0.07 0.00 0.00 179.01 180.45 2kne h LEU 32 N 0.00 -0.30 -1.29 3.06 5.85 -1.21 -2.97 115.31 118.44 2kne h LEU 32 Ca -0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2kne h LEU 32 Cb 0.16 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2kne h LEU 32 CO 0.01 -0.20 0.27 1.23 -0.34 0.00 0.00 178.44 179.41 2kne h GLY 33 N -0.38 0.80 0.87 3.75 0.00 -1.07 -2.81 103.07 104.24 2kne h GLY 33 Ca -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2kne h GLY 33 CO 0.06 0.35 -0.13 -0.84 0.00 0.00 0.00 176.54 175.97 2kne h THR 34 N 0.75 0.71 -0.53 4.70 2.02 -1.32 -1.29 112.91 117.95 2kne h THR 34 Ca 0.19 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.40 2kne h THR 34 Cb 0.07 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 2kne h THR 34 CO -0.03 0.00 0.32 0.58 0.37 0.00 0.00 175.52 176.76 2kne h VAL 35 N -0.31 1.05 -0.98 3.16 2.07 -1.38 -2.10 116.25 117.76 2kne h VAL 35 Ca -0.00 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.32 2kne h VAL 35 Cb 0.28 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2kne h VAL 35 CO -0.02 0.12 0.65 -0.03 0.02 0.00 0.00 177.57 178.31 2kne h MET 36 N 0.63 1.26 -0.96 1.57 4.05 -1.32 -1.27 114.93 118.90 2kne h MET 36 Ca 0.22 -0.08 0.17 0.00 -0.28 0.00 0.00 59.70 59.73 2kne h MET 36 Cb 0.03 -0.28 -0.09 0.00 -0.80 0.00 0.00 31.60 30.46 2kne h MET 36 CO -0.10 0.83 0.61 -0.09 0.23 0.00 0.00 176.91 178.39 2kne h ARG 37 N 1.30 0.68 0.00 0.39 2.43 -0.55 0.90 114.38 119.53 2kne h ARG 37 Ca 0.37 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 2kne h ARG 37 Cb -0.10 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 2kne h ARG 37 CO -0.09 0.45 -0.00 0.66 -1.51 0.00 0.00 179.97 179.48 2kne h SER 38 N 0.70 0.00 0.00 -3.80 4.64 -0.93 0.26 113.55 114.41 2kne h SER 38 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 2kne h SER 38 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2kne h SER 38 CO -0.27 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.58 2kne n LEU 39 N -3.08 0.00 0.00 5.97 7.94 0.31 -4.82 117.00 123.32 2kne n LEU 39 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 2kne n LEU 39 Cb 0.12 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2kne n LEU 39 CO 0.22 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.11 2kne n GLY 40 N 0.34 0.64 3.39 -3.96 0.00 0.07 -5.07 105.19 100.60 2kne n GLY 40 Ca 0.13 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.69 1.57 -0.51 1.61 -1.52 -1.18 -5.10 119.66 111.85 2kne s GLN 41 Ca 0.00 -1.88 0.05 0.00 -1.95 0.00 0.00 55.36 51.58 2kne s GLN 41 Cb 0.00 -0.51 0.20 0.00 -0.22 0.00 0.00 33.01 32.48 2kne s GLN 41 CO 0.00 -0.29 0.46 0.27 -0.25 0.00 0.00 175.29 175.48 2kne n ASN 42 N -0.68 1.00 -4.75 5.90 6.94 -1.26 -4.31 115.26 118.10 2kne n ASN 42 Ca -0.01 -2.77 -0.38 0.00 -0.02 0.00 0.00 54.58 51.39 2kne n ASN 42 Cb 0.66 -0.63 0.04 0.00 -2.36 0.00 0.00 39.78 37.49 2kne n ASN 42 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 2kne s PRO 43 N -0.87 3.14 0.76 -0.53 0.02 -1.26 -5.00 135.00 131.26 2kne s PRO 43 Ca 0.32 2.25 -0.11 0.00 0.02 0.00 0.00 61.00 63.48 2kne s PRO 43 Cb 0.06 -2.27 0.04 0.00 0.02 0.00 0.00 34.50 32.36 2kne s PRO 43 CO -0.15 -1.19 1.09 0.95 -0.33 0.00 0.00 177.00 177.36 2kne s THR 44 N -1.29 3.36 0.20 0.99 -4.23 -1.26 -4.94 115.64 108.47 2kne s THR 44 Ca 0.71 0.44 -0.11 0.00 -1.18 0.00 0.00 61.69 61.56 2kne s THR 44 Cb -0.41 -3.25 0.13 0.00 1.34 0.00 0.00 72.50 70.31 2kne s THR 44 CO 0.48 -0.58 1.84 1.05 -0.54 0.00 0.00 174.62 176.88 2kne h GLU 45 N -0.91 0.79 -0.14 3.99 4.11 -2.03 -1.41 114.58 118.98 2kne h GLU 45 Ca -0.46 -0.05 0.04 0.00 0.07 0.00 0.00 59.36 58.96 2kne h GLU 45 Cb 1.25 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2kne h GLU 45 CO 0.60 0.52 0.19 0.00 0.07 0.00 0.00 179.01 180.39 2kne h ALA 46 N 1.29 1.65 -0.64 1.06 0.00 -2.01 -0.85 119.26 119.76 2kne h ALA 46 Ca 0.27 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 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 -0.11 -0.26 0.07 1.49 0.00 0.00 0.00 179.25 180.44 2kne h GLU 47 N 0.00 1.07 -0.92 0.00 4.57 -1.61 -1.40 114.58 116.28 2kne h GLU 47 Ca 0.07 -0.30 0.07 0.00 -1.18 0.00 0.00 59.36 58.02 2kne h GLU 47 Cb 0.45 -0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 28.85 2kne h GLU 47 CO -0.00 1.00 0.58 -0.07 -1.18 0.00 0.00 179.01 179.33 2kne h LEU 48 N 0.99 0.90 0.25 1.64 4.07 -1.23 -1.55 115.31 120.38 2kne h LEU 48 Ca 0.19 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.16 2kne h LEU 48 Cb 0.47 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.05 2kne h LEU 48 CO 0.02 0.56 -0.12 -0.61 -1.08 0.00 0.00 178.44 177.21 2kne h GLN 49 N 1.03 -0.32 -0.22 1.13 4.15 -1.50 -2.76 115.11 116.62 2kne h GLN 49 Ca 0.41 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.89 2kne h GLN 49 Cb 0.22 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 2kne h GLN 49 CO -0.19 0.02 -0.03 -0.44 -1.93 0.00 0.00 178.83 176.26 2kne h ASP 50 N -0.94 -0.15 0.07 -0.69 3.32 -1.19 -1.18 116.42 115.65 2kne h ASP 50 Ca -0.03 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2kne h ASP 50 Cb 0.49 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2kne h ASP 50 CO 0.06 -0.05 -0.03 0.24 -1.72 0.00 0.00 179.24 177.74 2kne h MET 51 N 0.03 -0.09 -0.49 3.56 2.86 -1.42 -2.88 114.93 116.51 2kne h MET 51 Ca 0.11 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2kne h MET 51 Cb 0.15 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 2kne h MET 51 CO -0.21 0.15 0.30 0.82 1.06 0.00 0.00 176.91 179.04 2kne h ILE 52 N -0.32 1.08 -0.63 -1.22 1.08 -1.44 -2.36 117.51 113.70 2kne h ILE 52 Ca -0.01 -0.21 0.08 0.00 -0.39 0.00 0.00 64.86 64.33 2kne h ILE 52 Cb 0.28 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 34.40 2kne h ILE 52 CO 0.02 0.11 0.42 0.78 -0.69 0.00 0.00 178.15 178.79 2kne h ASN 53 N 0.61 0.48 -0.51 1.72 2.35 -1.20 0.59 115.58 119.63 2kne h ASN 53 Ca 0.19 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 2kne h ASN 53 Cb -0.02 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2kne h ASN 53 CO -0.07 0.30 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.57 2kne h GLU 54 N 0.54 0.97 0.00 0.81 5.08 -1.20 -3.12 114.58 117.67 2kne h GLU 54 Ca 0.28 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2kne h GLU 54 Cb 0.40 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2kne h GLU 54 CO -0.09 1.04 -0.66 0.28 -1.00 0.00 0.00 179.01 178.58 2kne h VAL 55 N 0.83 0.25 -0.98 3.13 2.07 -1.32 -3.43 116.25 116.80 2kne h VAL 55 Ca 0.13 -1.41 -0.58 0.00 0.82 0.00 0.00 66.70 65.66 2kne h VAL 55 Cb 0.68 1.93 -0.09 0.00 -1.52 0.00 0.00 31.29 32.29 2kne h VAL 55 CO 0.05 0.14 1.58 -0.62 0.02 0.00 0.00 177.57 178.75 2kne s ASP 56 N -5.91 6.39 0.29 0.57 2.15 0.15 -4.84 116.67 115.47 2kne s ASP 56 Ca 0.02 -1.63 -0.01 0.00 0.43 0.00 0.00 52.55 51.36 2kne s ASP 56 Cb 0.08 -2.57 0.43 0.00 -0.30 0.00 0.00 42.92 40.55 2kne s ASP 56 CO 0.75 -1.61 1.87 0.00 -0.17 0.00 0.00 175.17 176.01 2kne h ALA 57 N 9.39 1.28 -0.01 3.66 0.00 -1.84 -2.78 119.26 128.96 2kne h ALA 57 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kne h ALA 57 Cb 0.97 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2kne h ALA 57 CO 1.41 0.53 -0.07 -0.40 0.00 0.00 0.00 179.25 180.71 2kne n ASP 58 N -4.32 0.76 -1.79 0.00 5.75 -1.26 -4.93 116.55 110.76 2kne n ASP 58 Ca 0.05 -0.97 -0.20 0.00 -0.01 0.00 0.00 54.79 53.66 2kne n ASP 58 Cb 0.17 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.19 2kne n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 59 N 1.20 1.20 0.47 6.12 0.00 -1.05 -4.85 105.19 108.29 2kne n GLY 59 Ca 0.17 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.47 1.41 0.00 1.61 6.94 -1.26 -4.91 115.26 117.59 2kne n ASN 60 Ca -0.22 -1.66 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 2kne n ASN 60 Cb 0.67 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 2kne n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kne n GLY 61 N 1.08 0.85 3.44 4.83 0.00 -1.26 -5.01 105.19 109.13 2kne n GLY 61 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 2kne n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kne s THR 62 N -3.36 0.01 -0.16 2.61 -4.23 -1.26 -4.73 115.64 104.52 2kne s THR 62 Ca 0.00 -1.57 -0.02 0.00 -1.18 0.00 0.00 61.69 58.92 2kne s THR 62 Cb 0.00 -2.22 -0.02 0.00 1.34 0.00 0.00 72.50 71.60 2kne s THR 62 CO 0.00 -0.05 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.32 2kne s ILE 63 N -4.05 3.40 0.48 2.99 1.01 -1.12 -4.80 121.20 119.12 2kne s ILE 63 Ca 0.26 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.46 2kne s ILE 63 Cb 0.02 -2.48 0.07 0.00 0.01 0.00 0.00 42.46 40.09 2kne s ILE 63 CO 0.08 0.49 0.60 -0.67 0.00 0.00 0.00 174.94 175.45 2kne n ASP 64 N 3.76 1.94 -0.08 3.58 2.03 -1.26 -2.15 116.55 124.37 2kne n ASP 64 Ca -0.18 -2.36 -0.07 0.00 0.52 0.00 0.00 54.79 52.70 2kne n ASP 64 Cb 0.52 -0.28 -0.00 0.00 -0.72 0.00 0.00 41.12 40.64 2kne n ASP 64 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2kne h PHE 65 N 0.21 0.14 -0.26 -0.67 3.04 -2.00 -2.08 116.94 115.32 2kne h PHE 65 Ca -0.24 0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.77 2kne h PHE 65 Cb 1.05 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.50 2kne h PHE 65 CO 0.00 0.05 -0.01 -1.35 -2.02 0.00 0.00 178.31 174.98 2kne h PRO 66 N 0.20 0.07 0.00 6.41 0.11 -2.01 0.44 132.00 137.22 2kne h PRO 66 Ca 0.13 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 2kne h PRO 66 Cb 0.12 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 2kne h PRO 66 CO -0.16 0.05 -0.01 0.93 -0.21 0.00 0.00 178.00 178.60 2kne h GLU 67 N 0.07 0.00 0.19 1.05 5.08 -1.91 -2.72 114.58 116.34 2kne h GLU 67 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2kne h GLU 67 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2kne h GLU 67 CO -0.22 0.01 -0.09 0.35 -1.00 0.00 0.00 179.01 178.06 2kne h PHE 68 N 0.00 -0.23 -0.53 4.33 3.57 -0.22 -3.31 116.94 120.55 2kne h PHE 68 Ca -0.00 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.53 2kne h PHE 68 Cb 0.11 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 2kne h PHE 68 CO 0.00 0.08 0.30 -0.07 -2.23 0.00 0.00 178.31 176.39 2kne h LEU 69 N -0.99 0.47 -0.76 0.59 3.38 -1.08 -2.25 115.31 114.66 2kne h LEU 69 Ca -0.03 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.13 2kne h LEU 69 Cb 0.41 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 40.96 2kne h LEU 69 CO 0.04 0.33 0.10 0.74 0.09 0.00 0.00 178.44 179.73 2kne h THR 70 N 0.59 0.40 -0.28 0.22 2.02 -1.64 -0.82 112.91 113.40 2kne h THR 70 Ca 0.22 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.29 2kne h THR 70 Cb 0.07 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2kne h THR 70 CO -0.12 0.03 -0.02 0.24 0.37 0.00 0.00 175.52 176.02 2kne h MET 71 N 0.17 0.51 -0.93 6.66 2.86 -1.51 -3.00 114.93 119.68 2kne h MET 71 Ca 0.43 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.91 2kne h MET 71 Cb 0.77 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.35 2kne h MET 71 CO -0.61 0.68 0.61 0.52 1.06 0.00 0.00 176.91 179.17 2kne h MET 72 N 0.28 1.23 -0.30 1.72 2.07 -0.71 0.53 114.93 119.75 2kne h MET 72 Ca 0.08 -0.08 -0.08 0.00 -2.07 0.00 0.00 59.70 57.55 2kne h MET 72 Cb 0.46 -0.28 -0.02 0.00 -1.87 0.00 0.00 31.60 29.90 2kne h MET 72 CO 0.02 0.82 -0.15 0.00 1.07 0.00 0.00 176.91 178.67 2kne h ALA 73 N 1.34 1.18 0.00 6.32 0.00 -1.21 -2.93 119.26 123.96 2kne h ALA 73 Ca 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kne h ALA 73 Cb -0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2kne h ALA 73 CO -0.07 0.52 -1.04 -2.13 0.00 0.00 0.00 179.25 176.53 2kne n ARG 74 N -4.18 0.42 -1.70 0.00 0.63 -0.97 -4.55 116.66 106.32 2kne n ARG 74 Ca 0.00 0.03 -0.41 0.00 -0.92 0.00 0.00 57.85 56.56 2kne n ARG 74 Cb 0.35 -1.68 -0.01 0.00 0.45 0.00 0.00 32.46 31.57 2kne n ARG 74 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2kne n LYS 75 N -2.24 3.18 -0.46 -0.14 3.00 0.18 -4.46 118.16 117.22 2kne n LYS 75 Ca 0.01 -2.62 0.08 0.00 -0.00 0.00 0.00 58.31 55.78 2kne n LYS 75 Cb 0.49 -3.12 0.27 0.00 0.00 0.00 0.00 35.03 32.67 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 5.15 3.28 -1.60 1.64 2.81 -1.26 -4.93 117.12 122.20 2kne n MET 76 Ca 0.58 -2.71 -0.49 0.00 -1.81 0.00 0.00 57.70 53.26 2kne n MET 76 Cb 0.34 -1.77 -0.05 0.00 -0.71 0.00 0.00 33.22 31.04 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 0.13 1.29 -3.00 0.03 4.81 -1.26 -4.90 118.16 115.25 2kne n LYS 77 Ca 0.21 0.46 -0.43 0.00 -0.87 0.00 0.00 58.31 57.68 2kne n LYS 77 Cb 0.82 -2.04 -0.06 0.00 0.02 0.00 0.00 35.03 33.77 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 0.25 6.36 -0.29 3.14 1.01 -1.26 -5.02 116.67 120.87 2kne s ASP 78 Ca 0.77 -0.27 -0.16 0.00 0.71 0.00 0.00 52.55 53.60 2kne s ASP 78 Cb -0.86 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 40.67 2kne s ASP 78 CO 0.49 -0.92 0.40 -0.89 0.21 0.00 0.00 175.17 174.47 2kne s THR 79 N 3.19 5.14 -0.22 -1.27 2.01 -1.26 -5.02 115.64 118.22 2kne s THR 79 Ca 0.27 0.52 -0.29 0.00 0.31 0.00 0.00 61.69 62.50 2kne s THR 79 Cb -0.13 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 2kne s THR 79 CO 0.20 0.08 1.80 1.51 -0.69 0.00 0.00 174.62 177.52 2kne s ASP 80 N 1.65 6.10 0.58 3.53 1.47 -1.26 -4.78 116.67 123.96 2kne s ASP 80 Ca 0.16 1.69 0.04 0.00 1.18 0.00 0.00 52.55 55.62 2kne s ASP 80 Cb -0.16 -2.53 0.13 0.00 -0.34 0.00 0.00 42.92 40.03 2kne s ASP 80 CO 0.10 -1.47 0.93 -1.20 0.68 0.00 0.00 175.17 174.22 2kne n SER 81 N 9.37 0.00 -0.16 2.11 7.64 -1.26 0.48 113.62 131.80 2kne n SER 81 Ca 0.22 0.48 -0.10 0.00 1.01 0.00 0.00 58.87 60.48 2kne n SER 81 Cb 0.45 -0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.86 -1.21 1.43 3.07 -2.01 -3.04 114.58 113.69 2kne h GLU 82 Ca 0.07 -0.30 0.36 0.00 -0.50 0.00 0.00 59.36 58.99 2kne h GLU 82 Cb 1.92 -0.06 -0.11 0.00 -0.84 0.00 0.00 28.75 29.66 2kne h GLU 82 CO -0.00 0.94 0.79 1.49 -1.40 0.00 0.00 179.01 180.82 2kne h GLU 83 N 0.70 0.20 0.00 2.33 4.81 -0.34 0.65 114.58 122.93 2kne h GLU 83 Ca 0.12 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2kne h GLU 83 Cb 0.59 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 2kne h GLU 83 CO 0.04 0.13 -0.78 1.49 -0.73 0.00 0.00 179.01 179.16 2kne h GLU 84 N 0.20 0.00 0.00 1.92 4.57 -1.71 -3.27 114.58 116.29 2kne h GLU 84 Ca 0.72 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.90 2kne h GLU 84 Cb 2.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.74 2kne h GLU 84 CO -0.34 0.02 0.00 -0.89 -1.18 0.00 0.00 179.01 176.62 2kne n ILE 85 N -2.79 0.00 -0.29 2.32 2.08 0.23 -1.15 119.36 119.75 2kne n ILE 85 Ca 0.01 1.29 -0.06 0.00 0.56 0.00 0.00 62.75 64.55 2kne n ILE 85 Cb 0.56 -2.29 0.07 0.00 -0.75 0.00 0.00 39.64 37.23 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 1.18 -0.87 0.38 3.08 -1.76 -2.95 114.38 113.44 2kne h ARG 86 Ca 0.00 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 2kne h ARG 86 Cb 0.00 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 2kne h ARG 86 CO 0.00 0.95 0.51 0.93 -1.07 0.00 0.00 179.97 181.29 2kne h GLU 87 N 1.15 1.19 0.00 0.04 5.08 -1.65 -1.34 114.58 119.05 2kne h GLU 87 Ca 0.27 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2kne h GLU 87 Cb 0.20 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2kne h GLU 87 CO -0.02 0.85 -0.01 0.00 -1.00 0.00 0.00 179.01 178.83 2kne h ALA 88 N 1.28 1.06 0.02 3.43 0.00 -0.96 -2.57 119.26 121.53 2kne h ALA 88 Ca 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2kne h ALA 88 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kne h ALA 88 CO -0.06 0.01 -0.01 0.35 0.00 0.00 0.00 179.25 179.54 2kne h PHE 89 N 0.00 -0.03 -0.87 0.00 3.57 -1.22 -2.87 116.94 115.53 2kne h PHE 89 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2kne h PHE 89 Cb 0.10 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 2kne h PHE 89 CO 0.00 0.50 0.51 -0.09 -2.23 0.00 0.00 178.31 177.00 2kne h ARG 90 N -0.56 0.84 -0.37 1.11 2.43 -1.45 0.40 114.38 116.77 2kne h ARG 90 Ca -0.00 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2kne h ARG 90 Cb 0.53 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2kne h ARG 90 CO 0.00 0.55 0.11 0.28 -1.51 0.00 0.00 179.97 179.41 2kne h VAL 91 N 0.86 1.21 -0.43 0.20 2.07 -1.60 -3.03 116.25 115.54 2kne h VAL 91 Ca 0.41 -0.70 -0.14 0.00 0.82 0.00 0.00 66.70 67.08 2kne h VAL 91 Cb 0.35 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2kne h VAL 91 CO -0.24 0.24 -0.30 -0.26 0.02 0.00 0.00 177.57 177.03 2kne h PHE 92 N 0.45 1.11 -1.64 1.57 -1.00 -1.11 -3.31 116.94 113.01 2kne h PHE 92 Ca 0.12 -0.30 -0.71 0.00 2.81 0.00 0.00 57.97 59.89 2kne h PHE 92 Cb 0.26 -0.25 -0.14 0.00 3.61 0.00 0.00 35.95 39.44 2kne h PHE 92 CO 0.01 1.12 1.65 0.34 -1.61 0.00 0.00 178.31 179.82 2kne s ASP 93 N -6.79 6.93 0.12 2.17 -1.08 0.13 -4.61 116.67 113.55 2kne s ASP 93 Ca -0.11 -2.65 -0.20 0.00 -0.52 0.00 0.00 52.55 49.07 2kne s ASP 93 Cb 0.12 -2.48 -0.06 0.00 -1.46 0.00 0.00 42.92 39.04 2kne s ASP 93 CO 0.87 -0.97 1.75 0.50 0.52 0.00 0.00 175.17 177.85 2kne h LYS 94 N 7.56 0.14 -0.22 4.34 3.64 -1.68 -2.66 116.57 127.69 2kne h LYS 94 Ca 0.35 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2kne h LYS 94 Cb 0.89 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2kne h LYS 94 CO 1.33 0.09 0.00 -0.40 -2.27 0.00 0.00 179.45 178.20 2kne n ASP 95 N -5.05 1.97 -3.84 4.20 5.68 -1.26 -4.94 116.55 113.32 2kne n ASP 95 Ca -0.03 -1.78 -0.24 0.00 -0.50 0.00 0.00 54.79 52.23 2kne n ASP 95 Cb 0.06 -0.14 0.01 0.00 -1.14 0.00 0.00 41.12 39.91 2kne n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kne n GLY 96 N 1.19 -0.30 0.68 6.12 0.00 -1.01 -4.84 105.19 107.03 2kne n GLY 96 Ca 0.16 0.14 0.08 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 2.00 0.00 1.61 6.94 -1.26 -4.89 115.26 116.67 2kne n ASN 97 Ca -0.25 -1.88 0.00 0.00 -0.02 0.00 0.00 54.58 52.44 2kne n ASN 97 Cb 0.65 -0.20 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 1.15 0.83 3.09 4.83 0.00 -1.26 -5.02 105.19 108.82 2kne n GLY 98 Ca 0.15 0.00 -0.09 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 -3.24 0.29 -0.36 1.61 2.02 -1.26 -4.51 117.35 111.90 2kne s TYR 99 Ca 0.00 -0.66 -0.19 0.00 -0.37 0.00 0.00 57.07 55.85 2kne s TYR 99 Cb 0.00 -0.21 0.00 0.00 -0.40 0.00 0.00 41.96 41.35 2kne s TYR 99 CO 0.00 -0.35 0.53 0.42 -1.57 0.00 0.00 175.55 174.58 2kne s ILE 100 N -2.85 4.99 0.29 2.71 1.01 -0.57 -4.67 121.20 122.11 2kne s ILE 100 Ca -0.03 0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.83 2kne s ILE 100 Cb 0.00 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 2kne s ILE 100 CO -0.06 -0.27 0.64 -0.44 0.00 0.00 0.00 174.94 174.81 2kne s SER 101 N 1.79 6.62 0.13 3.58 0.01 -1.26 -2.80 113.70 121.76 2kne s SER 101 Ca 0.19 1.03 -0.19 0.00 1.31 0.00 0.00 55.95 58.29 2kne s SER 101 Cb -0.15 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 2kne s SER 101 CO 0.14 -0.19 1.74 0.00 0.41 0.00 0.00 173.24 175.34 2kne h ALA 102 N 2.11 0.22 -0.96 1.44 0.00 -1.97 -1.79 119.26 118.31 2kne h ALA 102 Ca -0.47 0.04 0.17 0.00 0.00 0.00 0.00 54.91 54.65 2kne h ALA 102 Cb 1.18 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 2kne h ALA 102 CO 0.67 -0.39 0.56 0.00 0.00 0.00 0.00 179.25 180.09 2kne h ALA 103 N 1.16 1.53 -0.63 0.00 0.00 -2.00 0.11 119.26 119.42 2kne h ALA 103 Ca 0.10 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2kne h ALA 103 Cb 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2kne h ALA 103 CO -0.13 -0.04 0.12 0.93 0.00 0.00 0.00 179.25 180.13 2kne h GLU 104 N 0.74 1.04 -0.39 0.00 5.08 -1.70 -3.04 114.58 116.31 2kne h GLU 104 Ca 0.54 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2kne h GLU 104 Cb 0.79 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2kne h GLU 104 CO -0.37 0.96 0.15 1.25 -1.00 0.00 0.00 179.01 180.00 2kne h LEU 105 N 0.95 0.55 -1.21 1.33 6.46 -0.04 -2.95 115.31 120.40 2kne h LEU 105 Ca 0.19 -0.18 0.44 0.00 -0.12 0.00 0.00 57.88 58.22 2kne h LEU 105 Cb 0.41 -0.14 -0.15 0.00 -0.73 0.00 0.00 40.66 40.04 2kne h LEU 105 CO 0.01 0.58 0.72 0.03 -0.62 0.00 0.00 178.44 179.16 2kne h ARG 106 N 0.49 0.04 0.00 1.25 2.47 -1.04 1.81 114.38 119.39 2kne h ARG 106 Ca 0.13 -0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.80 2kne h ARG 106 Cb 0.21 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 2kne h ARG 106 CO -0.01 0.02 -0.25 1.25 0.56 0.00 0.00 179.97 181.55 2kne h HIS 107 N 0.04 0.00 -0.54 3.04 2.76 -1.61 -3.12 115.15 115.71 2kne h HIS 107 Ca 0.85 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 59.04 2kne h HIS 107 Cb 2.49 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 31.42 2kne h HIS 107 CO -0.01 0.25 0.33 0.28 -1.30 0.00 0.00 177.93 177.48 2kne h VAL 108 N 0.00 1.08 -0.71 5.26 2.07 0.27 -2.66 116.25 121.56 2kne h VAL 108 Ca -0.00 -0.23 0.13 0.00 0.82 0.00 0.00 66.70 67.42 2kne h VAL 108 Cb 0.66 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 2kne h VAL 108 CO 0.03 0.12 0.26 0.24 0.02 0.00 0.00 177.57 178.25 2kne h MET 109 N 0.67 0.40 -0.75 1.57 2.07 -1.59 -1.33 114.93 115.97 2kne h MET 109 Ca 0.21 -0.02 0.03 0.00 -2.07 0.00 0.00 59.70 57.85 2kne h MET 109 Cb -0.00 -0.09 -0.05 0.00 -1.87 0.00 0.00 31.60 29.59 2kne h MET 109 CO -0.08 0.27 0.48 1.15 1.07 0.00 0.00 176.91 179.79 2kne h THR 110 N 0.42 1.11 -0.55 2.22 2.02 -1.62 0.53 112.91 117.03 2kne h THR 110 Ca 0.38 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 67.16 2kne h THR 110 Cb 0.55 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2kne h THR 110 CO -0.38 0.17 0.04 0.78 0.37 0.00 0.00 175.52 176.50 2kne h ASN 111 N 0.93 0.91 1.47 4.18 -0.26 -1.14 -2.91 115.58 118.75 2kne h ASN 111 Ca 0.30 -0.29 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 2kne h ASN 111 Cb 0.02 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.03 2kne h ASN 111 CO -0.11 0.97 -0.12 -0.07 -1.06 0.00 0.00 177.43 177.04 2kne h LEU 112 N 0.83 0.00 0.56 1.61 3.38 -0.75 -3.48 115.31 117.47 2kne h LEU 112 Ca 0.16 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2kne h LEU 112 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2kne h LEU 112 CO 0.02 0.02 -0.12 0.61 0.09 0.00 0.00 178.44 179.05 2kne n GLY 113 N 1.27 0.20 0.13 0.83 0.00 0.18 -4.94 105.19 102.86 2kne n GLY 113 Ca 0.05 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.04 0.00 -6.69 1.61 5.08 -1.65 -3.48 114.58 109.41 2kne h GLU 114 Ca -0.11 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.71 2kne h GLU 114 Cb 1.08 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.35 2kne h GLU 114 CO 0.13 0.23 -0.99 1.63 -1.00 0.00 0.00 179.01 179.02 2kne n LYS 115 N -2.97 -0.63 -2.80 2.33 5.02 -1.26 -4.90 118.16 112.95 2kne n LYS 115 Ca -0.02 0.21 -0.34 0.00 -2.02 0.00 0.00 58.31 56.14 2kne n LYS 115 Cb 0.69 -3.12 -0.07 0.00 -0.02 0.00 0.00 35.03 32.51 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 -7.12 4.02 0.84 -0.35 1.43 -1.26 -5.08 118.68 111.16 2kne s LEU 116 Ca 0.47 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 55.20 2kne s LEU 116 Cb -0.23 -4.43 0.14 0.00 0.03 0.00 0.00 46.19 41.70 2kne s LEU 116 CO 0.93 -0.32 1.18 0.42 0.23 0.00 0.00 176.35 178.79 2kne s THR 117 N -2.05 2.08 0.19 5.49 -4.23 -1.26 -4.86 115.64 111.00 2kne s THR 117 Ca 0.60 -0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 60.85 2kne s THR 117 Cb -0.11 -2.93 0.11 0.00 1.34 0.00 0.00 72.50 70.90 2kne s THR 117 CO 0.16 0.00 1.82 -0.78 -0.54 0.00 0.00 174.62 175.27 2kne h ASP 118 N -1.15 0.55 -0.22 3.99 1.82 -1.99 -1.10 116.42 118.32 2kne h ASP 118 Ca -0.43 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.24 2kne h ASP 118 Cb 1.27 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 41.16 2kne h ASP 118 CO 0.48 0.38 0.05 -0.33 -1.61 0.00 0.00 179.24 178.21 2kne h GLU 119 N 0.68 0.14 -0.06 0.28 5.08 -1.99 -1.71 114.58 116.99 2kne h GLU 119 Ca 0.25 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2kne h GLU 119 Cb 0.08 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2kne h GLU 119 CO -0.13 0.09 -0.49 0.93 -1.00 0.00 0.00 179.01 178.42 2kne h GLU 120 N 0.15 0.14 -0.54 2.33 4.39 -1.87 -1.22 114.58 117.96 2kne h GLU 120 Ca 0.10 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 2kne h GLU 120 Cb 0.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2kne h GLU 120 CO -0.12 0.60 0.22 0.28 -1.16 0.00 0.00 179.01 178.83 2kne h VAL 121 N 0.12 1.22 -0.43 3.13 2.07 -0.86 -2.08 116.25 119.41 2kne h VAL 121 Ca 0.00 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 66.74 2kne h VAL 121 Cb 0.90 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2kne h VAL 121 CO 0.07 0.26 -0.15 0.44 0.02 0.00 0.00 177.57 178.21 2kne h ASP 122 N 0.74 0.82 0.02 0.57 3.32 -1.13 -3.03 116.42 117.72 2kne h ASP 122 Ca 0.18 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2kne h ASP 122 Cb 0.19 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2kne h ASP 122 CO -0.02 0.97 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.38 2kne h GLU 123 N 0.73 -0.05 -0.66 3.56 4.22 -0.74 -2.13 114.58 119.52 2kne h GLU 123 Ca 0.11 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.61 2kne h GLU 123 Cb 0.66 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2kne h GLU 123 CO 0.05 -0.03 0.37 0.52 -2.18 0.00 0.00 179.01 177.74 2kne h MET 124 N -0.05 0.67 -0.67 1.92 2.86 -1.40 -2.17 114.93 116.09 2kne h MET 124 Ca 0.00 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2kne h MET 124 Cb 0.05 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2kne h MET 124 CO -0.00 0.45 0.44 0.82 1.06 0.00 0.00 176.91 179.67 2kne h ILE 125 N 0.69 1.17 -0.89 -1.22 2.04 -1.38 -2.22 117.51 115.71 2kne h ILE 125 Ca 0.29 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.87 2kne h ILE 125 Cb 0.15 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 2kne h ILE 125 CO -0.17 0.16 0.58 -0.09 0.00 0.00 0.00 178.15 178.64 2kne h ARG 126 N 0.90 1.09 -0.95 2.37 2.43 -0.77 0.59 114.38 120.03 2kne h ARG 126 Ca 0.25 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 2kne h ARG 126 Cb -0.10 -0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 29.15 2kne h ARG 126 CO -0.06 0.72 0.62 0.93 -1.51 0.00 0.00 179.97 180.67 2kne h GLU 127 N 1.12 1.17 0.00 0.20 4.39 -0.99 -2.82 114.58 117.65 2kne h GLU 127 Ca 0.35 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.94 2kne h GLU 127 Cb 0.00 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.38 2kne h GLU 127 CO -0.10 0.77 -1.16 0.00 -1.16 0.00 0.00 179.01 177.37 2kne n ALA 128 N -2.36 2.39 -2.27 3.43 0.00 -0.96 -4.75 120.51 115.97 2kne n ALA 128 Ca 0.12 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.91 2kne n ALA 128 Cb 0.09 -1.05 -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 -5.42 5.75 0.22 0.00 2.15 0.16 -4.75 116.67 114.77 2kne s ASP 129 Ca -0.02 -1.16 0.23 0.00 0.43 0.00 0.00 52.55 52.04 2kne s ASP 129 Cb 0.09 -2.57 0.93 0.00 -0.30 0.00 0.00 42.92 41.08 2kne s ASP 129 CO 0.80 -2.21 1.71 -0.38 -0.17 0.00 0.00 175.17 174.92 2kne n ILE 130 N 7.41 0.78 -3.87 4.11 2.08 -1.26 -4.69 119.36 123.92 2kne n ILE 130 Ca 0.38 0.14 -0.11 0.00 0.56 0.00 0.00 62.75 63.72 2kne n ILE 130 Cb 0.48 -1.03 -0.12 0.00 -0.75 0.00 0.00 39.64 38.22 2kne n ILE 130 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 2kne s ASP 131 N -4.17 -0.01 -0.22 4.38 -4.77 -1.26 -5.06 116.67 105.57 2kne s ASP 131 Ca 0.06 -0.04 -0.04 0.00 -3.30 0.00 0.00 52.55 49.23 2kne s ASP 131 Cb 0.10 0.19 -0.14 0.00 -1.09 0.00 0.00 42.92 41.98 2kne s ASP 131 CO 0.42 -0.18 2.34 0.61 0.70 0.00 0.00 175.17 179.06 2kne n GLY 132 N 2.33 2.43 0.00 2.12 0.00 -1.26 -4.17 105.19 106.63 2kne n GLY 132 Ca -0.17 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 3.02 0.54 0.00 1.61 5.75 -1.26 -4.95 116.55 121.27 2kne n ASP 133 Ca 0.31 -0.31 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2kne n ASP 133 Cb 0.46 0.32 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 1.50 0.76 3.12 6.12 0.00 -1.26 -4.99 105.19 110.44 2kne n GLY 134 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.22 0.70 -0.30 1.61 -0.21 -1.26 -4.81 119.66 115.18 2kne s GLN 135 Ca 0.00 -1.01 -0.11 0.00 0.02 0.00 0.00 55.36 54.26 2kne s GLN 135 Cb 0.00 -0.36 -0.04 0.00 1.00 0.00 0.00 33.01 33.61 2kne s GLN 135 CO 0.00 0.05 0.20 0.08 -2.12 0.00 0.00 175.29 173.50 2kne s VAL 136 N -2.19 5.27 0.82 1.09 1.01 -1.12 -4.93 120.40 120.35 2kne s VAL 136 Ca -0.00 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 2kne s VAL 136 Cb -0.04 -3.57 0.13 0.00 0.00 0.00 0.00 36.38 32.90 2kne s VAL 136 CO -0.01 0.18 1.15 0.20 0.00 0.00 0.00 175.10 176.62 2kne s ASN 137 N 1.74 4.00 0.23 3.32 -0.87 -1.26 -1.50 114.94 120.60 2kne s ASN 137 Ca 0.07 0.24 -0.07 0.00 -1.57 0.00 0.00 52.86 51.52 2kne s ASN 137 Cb -0.16 -0.57 0.20 0.00 -0.02 0.00 0.00 41.25 40.70 2kne s ASN 137 CO 0.11 -2.14 1.85 0.22 -2.57 0.00 0.00 177.10 174.57 2kne h TYR 138 N -1.05 1.23 -0.46 2.20 3.20 -1.99 -1.25 116.97 118.86 2kne h TYR 138 Ca -0.43 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.39 2kne h TYR 138 Cb 1.27 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2kne h TYR 138 CO -0.37 0.85 0.21 0.93 -1.64 0.00 0.00 178.16 178.14 2kne h GLU 139 N 1.25 0.66 -0.53 1.82 5.08 -1.97 -1.75 114.58 119.13 2kne h GLU 139 Ca 0.31 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 2kne h GLU 139 Cb 0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2kne h GLU 139 CO -0.05 0.57 0.02 0.93 -1.00 0.00 0.00 179.01 179.48 2kne h GLU 140 N 0.59 0.88 -0.45 2.33 5.08 -1.81 -1.74 114.58 119.46 2kne h GLU 140 Ca 0.16 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2kne h GLU 140 Cb 0.13 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2kne h GLU 140 CO -0.02 0.86 0.29 0.35 -1.00 0.00 0.00 179.01 179.50 2kne h PHE 141 N 0.82 0.58 -0.22 4.33 3.57 -0.90 -2.76 116.94 122.36 2kne h PHE 141 Ca 0.16 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 2kne h PHE 141 Cb 0.46 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2kne h PHE 141 CO 0.03 0.38 0.02 0.28 -2.23 0.00 0.00 178.31 176.79 2kne h VAL 142 N 0.61 1.24 -0.69 1.41 2.07 -1.11 -2.12 116.25 117.66 2kne h VAL 142 Ca 0.17 -0.80 0.15 0.00 0.82 0.00 0.00 66.70 67.03 2kne h VAL 142 Cb -0.05 1.33 -0.11 0.00 -1.52 0.00 0.00 31.29 30.94 2kne h VAL 142 CO -0.03 0.25 0.07 -0.61 0.02 0.00 0.00 177.57 177.27 2kne h GLN 143 N 0.17 0.17 -0.17 1.57 4.15 -1.15 0.37 115.11 120.22 2kne h GLN 143 Ca 0.07 -0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.29 2kne h GLN 143 Cb 0.35 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 2kne h GLN 143 CO 0.01 0.11 -0.65 0.52 -1.93 0.00 0.00 178.83 176.89 2kne h MET 144 N 0.17 0.64 -0.11 1.69 2.86 -1.40 0.49 114.93 119.27 2kne h MET 144 Ca 0.38 -0.46 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 2kne h MET 144 Cb 0.63 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2kne h MET 144 CO -0.55 1.08 -0.30 0.52 1.06 0.00 0.00 176.91 178.72 2kne h MET 145 N 0.47 0.41 0.02 1.72 2.86 -0.61 -3.30 114.93 116.50 2kne h MET 145 Ca -0.02 -0.29 -0.24 0.00 -2.06 0.00 0.00 59.70 57.10 2kne h MET 145 Cb 1.24 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.91 2kne h MET 145 CO 0.13 0.90 -1.23 1.15 1.06 0.00 0.00 176.91 178.92 2kne h THR 146 N -0.02 1.46 0.00 2.22 2.02 -0.38 -3.46 112.91 114.75 2kne h THR 146 Ca -0.01 -3.18 -0.39 0.00 0.77 0.00 0.00 66.41 63.61 2kne h THR 146 Cb 0.92 2.76 -0.07 0.00 -1.74 0.00 0.00 68.15 70.01 2kne h THR 146 CO 0.07 0.85 1.36 0.00 0.37 0.00 0.00 175.52 178.16 2kne n ALA 147 N -2.44 0.22 0.88 6.16 0.00 0.17 -5.06 120.51 120.44 2kne n ALA 147 Ca -0.06 -0.21 0.11 0.00 0.00 0.00 0.00 53.44 53.27 2kne n ALA 147 Cb 0.98 -1.75 0.09 0.00 0.00 0.00 0.00 19.45 18.77 2kne n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67