#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 0.58 -3.20 0.00 1.82 -1.99 -3.37 116.42 110.27 2kne h ASP 2 Ca 0.00 -0.12 -0.75 0.00 -0.39 0.00 0.00 57.03 55.77 2kne h ASP 2 Cb 0.00 -0.15 -0.25 0.00 0.68 0.00 0.00 39.33 39.61 2kne h ASP 2 CO 0.00 0.66 -0.29 -1.10 -1.61 0.00 0.00 179.24 176.90 2kne s GLN 3 N -4.95 2.90 -0.02 0.28 1.11 -1.26 -4.84 119.66 112.87 2kne s GLN 3 Ca -0.08 -1.60 0.09 0.00 0.01 0.00 0.00 55.36 53.77 2kne s GLN 3 Cb 0.15 -4.17 -0.13 0.00 -1.01 0.00 0.00 33.01 27.85 2kne s GLN 3 CO 0.78 -1.20 0.17 1.28 0.01 0.00 0.00 175.29 176.33 2kne n LEU 4 N 5.17 0.00 -4.74 2.90 4.77 -1.26 -4.97 117.00 118.87 2kne n LEU 4 Ca -0.13 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.45 2kne n LEU 4 Cb 0.41 0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 2kne n LEU 4 CO 0.50 0.02 0.65 0.42 -1.33 0.00 0.00 177.39 177.65 2kne s THR 5 N -2.56 4.18 0.13 -5.08 -4.23 -1.26 -4.96 115.64 101.86 2kne s THR 5 Ca -0.03 2.08 -0.31 0.00 -1.18 0.00 0.00 61.69 62.26 2kne s THR 5 Cb 0.05 -4.33 -0.07 0.00 1.34 0.00 0.00 72.50 69.49 2kne s THR 5 CO 0.36 0.45 1.57 -0.33 -0.54 0.00 0.00 174.62 176.13 2kne h GLU 6 N 4.51 -0.49 -0.95 3.99 4.39 -2.01 -1.31 114.58 122.71 2kne h GLU 6 Ca -0.44 0.03 0.35 0.00 0.34 0.00 0.00 59.36 59.64 2kne h GLU 6 Cb 1.20 0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 29.84 2kne h GLU 6 CO 0.69 -0.33 0.57 -1.91 -1.16 0.00 0.00 179.01 176.87 2kne n GLU 7 N -5.43 -0.04 -0.03 2.33 4.07 -1.26 0.26 120.64 120.53 2kne n GLU 7 Ca -0.04 1.03 -0.10 0.00 -0.06 0.00 0.00 57.16 57.99 2kne n GLU 7 Cb 0.37 -1.95 0.05 0.00 -0.06 0.00 0.00 31.44 29.85 2kne n GLU 7 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2kne h GLN 8 N 0.00 0.67 -0.41 5.31 4.15 -1.63 -1.52 115.11 121.69 2kne h GLN 8 Ca 0.68 -0.37 0.01 0.00 0.77 0.00 0.00 58.65 59.74 2kne h GLN 8 Cb 2.02 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.71 2kne h GLN 8 CO -0.48 0.98 0.26 0.82 -1.93 0.00 0.00 178.83 178.49 2kne h ILE 9 N 0.54 1.09 -0.51 2.39 2.04 0.34 -0.64 117.51 122.76 2kne h ILE 9 Ca 0.03 -0.18 0.10 0.00 1.00 0.00 0.00 64.86 65.81 2kne h ILE 9 Cb 1.00 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 37.50 2kne h ILE 9 CO 0.09 0.10 -0.01 0.00 0.00 0.00 0.00 178.15 178.33 2kne h ALA 10 N 1.16 0.47 -0.42 1.87 0.00 -0.89 0.61 119.26 122.06 2kne h ALA 10 Ca 0.15 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2kne h ALA 10 Cb -0.05 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2kne h ALA 10 CO -0.04 -0.39 0.13 0.93 0.00 0.00 0.00 179.25 179.88 2kne h GLU 11 N 0.11 0.66 -0.81 0.00 5.08 -0.72 -3.06 114.58 115.84 2kne h GLU 11 Ca 0.26 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2kne h GLU 11 Cb 0.39 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2kne h GLU 11 CO -0.43 0.65 0.32 0.74 -1.00 0.00 0.00 179.01 179.29 2kne h PHE 12 N 0.55 1.23 -0.30 4.33 -1.00 -0.51 -3.05 116.94 118.18 2kne h PHE 12 Ca 0.14 -0.09 0.07 0.00 2.81 0.00 0.00 57.97 60.89 2kne h PHE 12 Cb 0.26 -0.37 -0.08 0.00 3.61 0.00 0.00 35.95 39.38 2kne h PHE 12 CO 0.01 0.92 -0.28 -0.22 -1.61 0.00 0.00 178.31 177.14 2kne h LYS 13 N 1.17 -0.25 -0.99 1.51 3.64 -0.79 0.87 116.57 121.73 2kne h LYS 13 Ca 0.27 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.85 2kne h LYS 13 Cb 0.21 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 31.99 2kne h LYS 13 CO -0.02 -0.16 0.61 0.93 -2.27 0.00 0.00 179.45 178.54 2kne h GLU 14 N -0.26 0.73 -1.00 1.90 5.08 -1.57 -0.52 114.58 118.93 2kne h GLU 14 Ca 0.15 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 2kne h GLU 14 Cb 0.50 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 2kne h GLU 14 CO -0.44 0.48 0.64 0.00 -1.00 0.00 0.00 179.01 178.69 2kne h ALA 15 N 1.62 1.45 -0.85 3.43 0.00 -0.84 -2.58 119.26 121.50 2kne h ALA 15 Ca 0.55 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.54 2kne h ALA 15 Cb 0.88 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 2kne h ALA 15 CO -0.33 0.36 0.50 0.74 0.00 0.00 0.00 179.25 180.52 2kne h PHE 16 N 1.11 0.91 0.00 0.00 -1.00 -0.77 0.37 116.94 117.55 2kne h PHE 16 Ca 0.46 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.26 2kne h PHE 16 Cb 0.28 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2kne h PHE 16 CO -0.00 0.39 0.00 1.03 -1.61 0.00 0.00 178.31 178.12 2kne h SER 17 N 0.85 0.00 -0.51 2.17 0.87 -1.52 -2.11 113.55 113.30 2kne h SER 17 Ca 0.40 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.93 2kne h SER 17 Cb 0.33 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2kne h SER 17 CO -0.23 0.00 0.18 0.25 -0.53 0.00 0.00 176.83 176.50 2kne h LEU 18 N 0.00 0.72 0.00 2.23 7.12 -0.95 -3.28 115.31 121.16 2kne h LEU 18 Ca 0.00 -0.19 0.00 0.00 0.13 0.00 0.00 57.88 57.82 2kne h LEU 18 Cb 0.17 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 2kne h LEU 18 CO 0.00 0.72 -1.28 0.49 -0.13 0.00 0.00 178.44 178.24 2kne n PHE 19 N -4.51 0.00 -2.44 1.25 3.01 -1.12 -4.83 117.46 108.81 2kne n PHE 19 Ca 0.02 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.09 2kne n PHE 19 Cb 0.18 -0.20 -0.03 0.00 -0.01 0.00 0.00 39.48 39.42 2kne n PHE 19 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2kne s ASP 20 N -3.25 6.12 0.06 4.37 1.01 -0.81 -4.73 116.67 119.45 2kne s ASP 20 Ca -0.00 -0.96 -0.20 0.00 0.71 0.00 0.00 52.55 52.10 2kne s ASP 20 Cb 0.11 -2.56 -0.11 0.00 1.01 0.00 0.00 42.92 41.37 2kne s ASP 20 CO 0.68 -1.84 1.48 0.50 0.21 0.00 0.00 175.17 176.20 2kne h LYS 21 N 10.45 0.34 -0.61 8.23 3.64 -1.88 -3.22 116.57 133.52 2kne h LYS 21 Ca 0.04 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2kne h LYS 21 Cb 1.03 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2kne h LYS 21 CO 1.34 0.57 0.00 -0.40 -2.27 0.00 0.00 179.45 178.70 2kne n ASP 22 N -4.68 4.69 -4.30 4.20 5.75 -1.26 -4.97 116.55 115.98 2kne n ASP 22 Ca -0.05 -2.49 -0.32 0.00 -0.01 0.00 0.00 54.79 51.92 2kne n ASP 22 Cb 0.25 -0.57 -0.09 0.00 -1.03 0.00 0.00 41.12 39.68 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 0.96 -0.16 0.20 6.12 0.00 -1.22 -4.81 105.19 106.29 2kne n GLY 23 Ca 0.25 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.59 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 -2.86 0.89 0.00 1.61 5.68 -1.26 -4.92 116.55 115.69 2kne n ASP 24 Ca -0.32 -0.77 0.00 0.00 -0.50 0.00 0.00 54.79 53.20 2kne n ASP 24 Cb 0.69 0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.79 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 1.35 0.73 3.11 6.12 0.00 -1.26 -5.04 105.19 110.19 2kne n GLY 25 Ca 0.12 0.00 -0.07 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 -2.83 0.20 -0.18 2.61 -4.23 -1.26 -4.66 115.64 105.30 2kne s THR 26 Ca 0.00 -1.68 -0.18 0.00 -1.18 0.00 0.00 61.69 58.66 2kne s THR 26 Cb 0.00 -1.46 -0.04 0.00 1.34 0.00 0.00 72.50 72.34 2kne s THR 26 CO 0.00 -0.93 0.48 -0.63 -0.54 0.00 0.00 174.62 173.00 2kne s ILE 27 N -3.85 5.15 0.30 2.99 1.01 -0.67 -4.89 121.20 121.25 2kne s ILE 27 Ca 0.06 0.90 0.09 0.00 0.00 0.00 0.00 60.65 61.70 2kne s ILE 27 Cb 0.07 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 2kne s ILE 27 CO -0.10 0.24 0.09 0.42 0.00 0.00 0.00 174.94 175.58 2kne s THR 28 N 1.26 3.30 0.30 2.92 -4.23 -1.26 -2.75 115.64 115.17 2kne s THR 28 Ca 0.24 -1.76 -0.02 0.00 -1.18 0.00 0.00 61.69 58.96 2kne s THR 28 Cb -0.15 -2.96 0.25 0.00 1.34 0.00 0.00 72.50 70.98 2kne s THR 28 CO 0.09 -0.27 1.96 0.71 -0.54 0.00 0.00 174.62 176.57 2kne h THR 29 N 1.68 1.21 0.80 3.99 1.35 -1.92 -1.74 112.91 118.28 2kne h THR 29 Ca -0.44 -0.42 -0.04 0.00 -0.55 0.00 0.00 66.41 64.96 2kne h THR 29 Cb 1.25 0.07 0.01 0.00 -1.73 0.00 0.00 68.15 67.75 2kne h THR 29 CO 0.62 0.21 -0.38 0.50 -0.25 0.00 0.00 175.52 176.22 2kne h LYS 30 N 1.08 -1.03 0.00 4.72 3.64 -1.98 -2.61 116.57 120.38 2kne h LYS 30 Ca 0.29 0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 2kne h LYS 30 Cb -0.09 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2kne h LYS 30 CO -0.06 -0.67 -0.16 1.05 -2.27 0.00 0.00 179.45 177.34 2kne h GLU 31 N -1.19 0.00 0.24 1.90 4.11 -1.88 -2.40 114.58 115.36 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 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2kne h GLU 31 CO 0.18 0.16 -0.12 1.25 0.07 0.00 0.00 179.01 180.55 2kne h LEU 32 N 0.00 -0.27 -1.13 3.06 5.85 -1.22 -2.91 115.31 118.68 2kne h LEU 32 Ca -0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2kne h LEU 32 Cb 0.29 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 2kne h LEU 32 CO 0.02 -0.15 0.45 1.23 -0.34 0.00 0.00 178.44 179.65 2kne h GLY 33 N -0.38 1.12 0.88 3.75 0.00 -1.18 -2.67 103.07 104.59 2kne h GLY 33 Ca -0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2kne h GLY 33 CO 0.05 0.46 -0.21 -0.84 0.00 0.00 0.00 176.54 176.00 2kne h THR 34 N 1.06 0.55 -0.46 4.70 2.02 -1.32 -1.00 112.91 118.45 2kne h THR 34 Ca 0.27 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.49 2kne h THR 34 Cb -0.02 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 2kne h THR 34 CO -0.05 0.00 0.24 0.58 0.37 0.00 0.00 175.52 176.66 2kne h VAL 35 N -0.53 0.98 -0.98 3.16 2.07 -1.32 -1.85 116.25 117.78 2kne h VAL 35 Ca -0.03 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2kne h VAL 35 Cb 0.45 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 2kne h VAL 35 CO 0.03 0.09 0.64 -0.03 0.02 0.00 0.00 177.57 178.32 2kne h MET 36 N 0.48 1.24 -0.90 1.57 -1.53 -1.33 -1.51 114.93 112.95 2kne h MET 36 Ca 0.20 -0.07 0.13 0.00 -3.44 0.00 0.00 59.70 56.52 2kne h MET 36 Cb 0.09 -0.28 -0.09 0.00 -0.55 0.00 0.00 31.60 30.77 2kne h MET 36 CO -0.13 0.82 0.52 -0.09 0.14 0.00 0.00 176.91 178.17 2kne h ARG 37 N 1.28 0.75 0.00 0.39 2.43 -0.37 0.61 114.38 119.47 2kne h ARG 37 Ca 0.37 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 2kne h ARG 37 Cb -0.07 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 2kne h ARG 37 CO -0.10 0.50 -0.03 0.66 -1.51 0.00 0.00 179.97 179.49 2kne h SER 38 N 0.77 0.00 0.27 -3.80 4.64 -0.78 0.29 113.55 114.94 2kne h SER 38 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2kne h SER 38 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2kne h SER 38 CO -0.31 0.03 0.00 -0.11 -0.87 0.00 0.00 176.83 175.56 2kne n LEU 39 N -3.27 0.00 0.00 5.97 7.94 0.21 -4.82 117.00 123.04 2kne n LEU 39 Ca -0.02 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 2kne n LEU 39 Cb 0.17 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 43.91 2kne n LEU 39 CO 0.25 -0.07 0.00 0.61 -1.11 0.00 0.00 177.39 177.07 2kne n GLY 40 N 0.41 0.74 3.77 -3.96 0.00 0.09 -5.07 105.19 101.17 2kne n GLY 40 Ca 0.11 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2kne n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kne s GLN 41 N -0.65 2.81 -0.68 1.61 -1.52 -1.23 -5.06 119.66 114.94 2kne s GLN 41 Ca 0.00 -0.93 0.04 0.00 -1.95 0.00 0.00 55.36 52.53 2kne s GLN 41 Cb 0.00 -2.59 0.31 0.00 -0.22 0.00 0.00 33.01 30.52 2kne s GLN 41 CO 0.00 0.47 1.04 -1.71 -0.25 0.00 0.00 175.29 174.85 2kne n ASN 42 N -0.34 4.79 -4.76 5.90 2.85 -1.26 -4.28 115.26 118.16 2kne n ASN 42 Ca -0.08 -3.62 -0.38 0.00 -0.11 0.00 0.00 54.58 50.38 2kne n ASN 42 Cb 0.55 -0.70 0.02 0.00 1.24 0.00 0.00 39.78 40.89 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 -3.32 3.41 0.76 1.20 0.04 -1.26 -5.02 135.00 130.81 2kne s PRO 43 Ca 0.45 2.14 -0.11 0.00 0.04 0.00 0.00 61.00 63.51 2kne s PRO 43 Cb 0.23 -2.38 0.05 0.00 0.04 0.00 0.00 34.50 32.44 2kne s PRO 43 CO -0.10 -0.94 1.13 0.95 0.04 0.00 0.00 177.00 178.09 2kne s THR 44 N -1.35 2.63 0.20 1.26 -4.23 -1.26 -4.95 115.64 107.95 2kne s THR 44 Ca 0.67 0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 61.25 2kne s THR 44 Cb -0.38 -3.20 0.12 0.00 1.34 0.00 0.00 72.50 70.39 2kne s THR 44 CO 0.46 -0.26 1.83 1.05 -0.54 0.00 0.00 174.62 177.16 2kne h GLU 45 N -0.86 0.72 -0.18 3.99 4.11 -2.03 -1.43 114.58 118.91 2kne h GLU 45 Ca -0.45 -0.04 0.05 0.00 0.07 0.00 0.00 59.36 58.98 2kne h GLU 45 Cb 1.30 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2kne h GLU 45 CO 0.65 0.48 0.25 0.00 0.07 0.00 0.00 179.01 180.46 2kne h ALA 46 N 1.29 1.70 -0.57 1.06 0.00 -2.01 -0.16 119.26 120.57 2kne h ALA 46 Ca 0.26 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2kne h ALA 46 Cb 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2kne h ALA 46 CO -0.12 -0.34 0.03 1.49 0.00 0.00 0.00 179.25 180.30 2kne h GLU 47 N 0.00 0.96 -0.81 0.00 4.57 -1.62 -1.89 114.58 115.79 2kne h GLU 47 Ca 0.08 -0.27 0.06 0.00 -1.18 0.00 0.00 59.36 58.05 2kne h GLU 47 Cb 0.59 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.02 2kne h GLU 47 CO -0.00 0.93 0.50 -0.07 -1.18 0.00 0.00 179.01 179.19 2kne h LEU 48 N 0.89 0.78 0.36 1.64 4.07 -1.11 -1.66 115.31 120.28 2kne h LEU 48 Ca 0.17 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 2kne h LEU 48 Cb 0.48 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2kne h LEU 48 CO 0.02 0.50 -0.17 -0.61 -1.08 0.00 0.00 178.44 177.10 2kne h GLN 49 N 0.91 -0.46 -0.31 1.13 4.15 -1.52 -2.40 115.11 116.60 2kne h GLN 49 Ca 0.35 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.86 2kne h GLN 49 Cb 0.16 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.90 2kne h GLN 49 CO -0.17 -0.15 0.01 -0.44 -1.93 0.00 0.00 178.83 176.16 2kne h ASP 50 N -0.94 -0.10 0.13 -0.69 3.32 -1.28 -0.61 116.42 116.25 2kne h ASP 50 Ca -0.05 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2kne h ASP 50 Cb 0.53 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2kne h ASP 50 CO 0.08 -0.01 -0.06 0.24 -1.72 0.00 0.00 179.24 177.77 2kne h MET 51 N 0.11 -0.16 -0.13 3.56 2.86 -1.41 -2.50 114.93 117.25 2kne h MET 51 Ca 0.15 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 2kne h MET 51 Cb 0.19 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2kne h MET 51 CO -0.24 0.12 0.07 0.82 1.06 0.00 0.00 176.91 178.73 2kne h ILE 52 N -0.44 1.01 -0.49 -1.22 1.08 -1.36 -2.55 117.51 113.53 2kne h ILE 52 Ca -0.02 -0.05 0.06 0.00 -0.39 0.00 0.00 64.86 64.46 2kne h ILE 52 Cb 0.35 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 2kne h ILE 52 CO 0.03 0.03 0.33 0.78 -0.69 0.00 0.00 178.15 178.63 2kne h ASN 53 N 0.15 0.37 -0.69 1.72 2.35 -1.14 -0.23 115.58 118.12 2kne h ASN 53 Ca 0.05 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 2kne h ASN 53 Cb -0.00 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2kne h ASN 53 CO -0.03 0.24 0.14 -0.08 -1.65 0.00 0.00 177.43 176.06 2kne h GLU 54 N 0.42 1.12 0.00 0.81 4.81 -1.02 -2.96 114.58 117.77 2kne h GLU 54 Ca 0.21 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2kne h GLU 54 Cb 0.31 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2kne h GLU 54 CO -0.05 1.01 -0.73 0.28 -0.73 0.00 0.00 179.01 178.78 2kne h VAL 55 N 1.06 0.00 -0.94 0.32 2.07 -1.30 -3.44 116.25 114.03 2kne h VAL 55 Ca 0.21 -0.77 -0.58 0.00 0.82 0.00 0.00 66.70 66.38 2kne h VAL 55 Cb 0.41 1.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 2kne h VAL 55 CO 0.01 0.00 1.67 -0.62 0.02 0.00 0.00 177.57 178.65 2kne s ASP 56 N -4.95 6.40 0.27 0.57 2.15 -0.15 -4.83 116.67 116.13 2kne s ASP 56 Ca 0.03 -1.77 -0.03 0.00 0.43 0.00 0.00 52.55 51.21 2kne s ASP 56 Cb 0.11 -2.57 0.36 0.00 -0.30 0.00 0.00 42.92 40.51 2kne s ASP 56 CO 0.75 -1.60 1.86 0.00 -0.17 0.00 0.00 175.17 176.00 2kne h ALA 57 N 9.09 1.23 -0.01 3.66 0.00 -1.85 -2.71 119.26 128.67 2kne h ALA 57 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kne h ALA 57 Cb 0.95 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2kne h ALA 57 CO 1.41 0.57 -0.09 -0.40 0.00 0.00 0.00 179.25 180.74 2kne n ASP 58 N -4.31 0.67 -1.83 0.00 5.75 -1.26 -4.92 116.55 110.64 2kne n ASP 58 Ca 0.06 -0.86 -0.20 0.00 -0.01 0.00 0.00 54.79 53.78 2kne n ASP 58 Cb 0.16 -0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.17 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 1.22 1.02 0.42 6.12 0.00 -1.03 -4.85 105.19 108.10 2kne n GLY 59 Ca 0.17 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.48 1.28 0.00 1.61 6.94 -1.26 -4.90 115.26 117.44 2kne n ASN 60 Ca -0.22 -1.61 0.00 0.00 -0.02 0.00 0.00 54.58 52.73 2kne n ASN 60 Cb 0.67 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 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 1.06 0.86 3.50 4.83 0.00 -1.26 -5.00 105.19 109.18 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 -3.41 0.00 -0.15 2.61 -4.23 -1.26 -4.75 115.64 104.45 2kne s THR 62 Ca 0.00 -1.54 -0.01 0.00 -1.18 0.00 0.00 61.69 58.95 2kne s THR 62 Cb 0.00 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.53 2kne s THR 62 CO 0.00 0.00 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.35 2kne s ILE 63 N -4.00 3.30 0.22 2.99 1.01 -1.11 -4.81 121.20 118.78 2kne s ILE 63 Ca 0.26 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.38 2kne s ILE 63 Cb 0.01 -2.41 0.03 0.00 0.01 0.00 0.00 42.46 40.09 2kne s ILE 63 CO 0.10 0.51 0.24 0.47 0.00 0.00 0.00 174.94 176.26 2kne n ASP 64 N 3.68 1.19 -0.14 3.58 8.00 -1.26 -1.68 116.55 129.92 2kne n ASP 64 Ca -0.18 -1.65 -0.07 0.00 0.71 0.00 0.00 54.79 53.61 2kne n ASP 64 Cb 0.52 -0.10 0.02 0.00 -0.02 0.00 0.00 41.12 41.55 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 0.27 0.46 0.08 1.24 3.04 -1.99 -1.03 116.94 119.01 2kne h PHE 65 Ca -0.12 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.87 2kne h PHE 65 Cb 0.48 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 2kne h PHE 65 CO 0.00 0.26 -0.21 -1.35 -2.02 0.00 0.00 178.31 175.00 2kne h PRO 66 N 0.50 -0.36 0.00 6.41 0.11 -2.00 -0.79 132.00 135.86 2kne h PRO 66 Ca 0.18 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 2kne h PRO 66 Cb 0.03 0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 2kne h PRO 66 CO -0.09 -0.24 -0.04 0.93 -0.21 0.00 0.00 178.00 178.36 2kne h GLU 67 N -0.37 0.00 0.50 1.05 5.08 -1.93 -2.89 114.58 116.02 2kne h GLU 67 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2kne h GLU 67 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2kne h GLU 67 CO -0.13 0.04 -0.24 0.35 -1.00 0.00 0.00 179.01 178.02 2kne h PHE 68 N 0.00 -0.62 -0.67 4.33 3.04 0.22 -3.33 116.94 119.92 2kne h PHE 68 Ca -0.00 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.98 2kne h PHE 68 Cb 0.20 0.21 -0.05 0.00 2.56 0.00 0.00 35.95 38.87 2kne h PHE 68 CO 0.00 -0.39 0.39 -0.07 -2.02 0.00 0.00 178.31 176.23 2kne h LEU 69 N -1.04 0.62 -0.93 0.59 3.38 -1.23 -2.96 115.31 113.73 2kne h LEU 69 Ca -0.07 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.02 2kne h LEU 69 Cb 0.51 -0.11 -0.13 0.00 0.09 0.00 0.00 40.66 41.02 2kne h LEU 69 CO 0.11 0.42 -0.53 0.74 0.09 0.00 0.00 178.44 179.27 2kne h THR 70 N 0.75 0.01 -0.56 0.22 2.02 -1.62 0.06 112.91 113.79 2kne h THR 70 Ca 0.28 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.39 2kne h THR 70 Cb 0.10 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 2kne h THR 70 CO -0.14 0.00 0.05 0.00 0.37 0.00 0.00 175.52 175.80 2kne h MET 71 N -0.04 0.95 -0.89 6.66 -0.00 -1.63 -3.04 114.93 116.93 2kne h MET 71 Ca 0.20 -0.28 0.03 0.00 -0.00 0.00 0.00 59.70 59.65 2kne h MET 71 Cb 0.48 -0.10 -0.05 0.00 -0.00 0.00 0.00 31.60 31.93 2kne h MET 71 CO -0.91 0.93 0.58 0.52 -0.00 0.00 0.00 176.91 178.03 2kne h MET 72 N 0.84 1.10 -0.27 -0.10 2.07 -0.98 0.59 114.93 118.17 2kne h MET 72 Ca 0.16 -0.07 -0.07 0.00 -2.07 0.00 0.00 59.70 57.66 2kne h MET 72 Cb 0.47 -0.25 -0.02 0.00 -1.87 0.00 0.00 31.60 29.94 2kne h MET 72 CO 0.02 0.73 -0.14 0.00 1.07 0.00 0.00 176.91 178.59 2kne h ALA 73 N 1.36 1.25 0.00 6.32 0.00 -0.99 -2.83 119.26 124.37 2kne h ALA 73 Ca 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kne h ALA 73 Cb -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2kne h ALA 73 CO -0.11 0.49 -0.97 -2.13 0.00 0.00 0.00 179.25 176.53 2kne n ARG 74 N -4.20 0.25 -1.64 0.00 3.00 -0.92 -4.57 116.66 108.58 2kne n ARG 74 Ca 0.00 -0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2kne n ARG 74 Cb 0.33 -1.58 -0.01 0.00 0.00 0.00 0.00 32.46 31.20 2kne n ARG 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2kne n LYS 75 N -1.90 3.21 -0.41 -0.14 3.00 0.20 -4.44 118.16 117.68 2kne n LYS 75 Ca 0.02 -2.56 0.08 0.00 -0.00 0.00 0.00 58.31 55.85 2kne n LYS 75 Cb 0.42 -3.10 0.25 0.00 0.00 0.00 0.00 35.03 32.60 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 5.07 3.16 -1.60 1.64 2.81 -1.26 -4.94 117.12 122.00 2kne n MET 76 Ca 0.60 -2.61 -0.48 0.00 -1.81 0.00 0.00 57.70 53.40 2kne n MET 76 Cb 0.34 -1.68 -0.04 0.00 -0.71 0.00 0.00 33.22 31.12 2kne n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2kne n LYS 77 N 0.21 1.33 -3.01 0.03 4.81 -1.26 -4.90 118.16 115.36 2kne n LYS 77 Ca 0.19 0.47 -0.43 0.00 -0.87 0.00 0.00 58.31 57.67 2kne n LYS 77 Cb 0.75 -2.00 -0.06 0.00 0.02 0.00 0.00 35.03 33.75 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 0.04 6.35 -0.25 3.14 2.15 -1.26 -5.03 116.67 121.82 2kne s ASP 78 Ca 0.72 -0.33 -0.17 0.00 0.43 0.00 0.00 52.55 53.20 2kne s ASP 78 Cb -0.81 -2.36 -0.03 0.00 -0.30 0.00 0.00 42.92 39.41 2kne s ASP 78 CO 0.52 -0.93 0.47 -0.89 -0.17 0.00 0.00 175.17 174.16 2kne s THR 79 N 3.18 5.12 -0.27 1.71 2.01 -1.26 -5.02 115.64 121.11 2kne s THR 79 Ca 0.26 0.79 -0.29 0.00 0.31 0.00 0.00 61.69 62.76 2kne s THR 79 Cb -0.14 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 2kne s THR 79 CO 0.20 0.14 1.72 -1.81 -0.69 0.00 0.00 174.62 174.17 2kne s ASP 80 N 1.44 6.13 0.56 3.53 1.01 -1.26 -4.80 116.67 123.27 2kne s ASP 80 Ca 0.20 1.47 0.11 0.00 0.71 0.00 0.00 52.55 55.03 2kne s ASP 80 Cb -0.15 -2.53 0.36 0.00 1.01 0.00 0.00 42.92 41.61 2kne s ASP 80 CO 0.09 -1.49 0.99 -1.20 0.21 0.00 0.00 175.17 173.77 2kne n SER 81 N 9.38 0.00 -0.01 0.27 7.64 -1.26 0.14 113.62 129.78 2kne n SER 81 Ca 0.21 0.54 -0.07 0.00 1.01 0.00 0.00 58.87 60.56 2kne n SER 81 Cb 0.46 -0.10 0.11 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.56 -1.08 1.43 3.07 -2.01 -3.13 114.58 113.43 2kne h GLU 82 Ca 0.20 -0.28 0.29 0.00 -0.50 0.00 0.00 59.36 59.06 2kne h GLU 82 Cb 2.13 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.95 2kne h GLU 82 CO -0.00 0.86 0.70 1.49 -1.40 0.00 0.00 179.01 180.66 2kne h GLU 83 N 0.46 0.32 0.00 2.33 4.81 0.79 0.22 114.58 123.51 2kne h GLU 83 Ca 0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2kne h GLU 83 Cb 0.90 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2kne h GLU 83 CO 0.08 0.21 -0.91 0.39 -0.73 0.00 0.00 179.01 178.05 2kne n GLU 84 N -4.60 0.40 0.00 1.92 4.71 -1.19 -3.83 120.64 118.06 2kne n GLU 84 Ca 0.26 0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.48 2kne n GLU 84 Cb 0.96 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 29.69 2kne n GLU 84 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 2kne n ILE 85 N -2.25 0.00 -0.29 -3.67 2.08 0.76 -1.20 119.36 114.80 2kne n ILE 85 Ca 0.02 1.25 -0.05 0.00 0.56 0.00 0.00 62.75 64.53 2kne n ILE 85 Cb 0.48 -2.25 0.07 0.00 -0.75 0.00 0.00 39.64 37.18 2kne n ILE 85 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2kne h ARG 86 N 0.00 1.11 -0.76 0.38 0.11 -1.79 -2.89 114.38 110.54 2kne h ARG 86 Ca 0.00 -0.14 -0.03 0.00 0.10 0.00 0.00 59.98 59.91 2kne h ARG 86 Cb 0.00 -0.21 -0.03 0.00 1.11 0.00 0.00 29.97 30.83 2kne h ARG 86 CO 0.00 0.83 0.34 0.93 0.10 0.00 0.00 179.97 182.17 2kne h GLU 87 N 1.10 1.10 0.00 0.08 5.08 -1.67 -1.51 114.58 118.76 2kne h GLU 87 Ca 0.27 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2kne h GLU 87 Cb 0.06 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2kne h GLU 87 CO -0.04 0.86 -0.01 0.00 -1.00 0.00 0.00 179.01 178.82 2kne h ALA 88 N 1.29 1.06 -0.00 3.43 0.00 -0.94 -2.59 119.26 121.50 2kne h ALA 88 Ca 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2kne h ALA 88 Cb 0.15 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kne h ALA 88 CO -0.03 0.01 -0.00 0.35 0.00 0.00 0.00 179.25 179.58 2kne h PHE 89 N 0.00 0.01 -0.89 0.00 3.57 -1.24 -2.89 116.94 115.51 2kne h PHE 89 Ca -0.00 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.60 2kne h PHE 89 Cb 0.14 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.80 2kne h PHE 89 CO 0.00 0.54 0.52 -0.09 -2.23 0.00 0.00 178.31 177.05 2kne h ARG 90 N -0.52 0.83 -0.41 1.11 2.43 -1.46 0.28 114.38 116.64 2kne h ARG 90 Ca 0.00 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 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 0.04 0.28 -1.51 0.00 0.00 179.97 179.33 2kne h VAL 91 N 0.85 1.25 -0.46 0.20 2.07 -1.60 -3.08 116.25 115.48 2kne h VAL 91 Ca 0.43 -0.92 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 2kne h VAL 91 Cb 0.42 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2kne h VAL 91 CO -0.26 0.32 -0.24 -0.26 0.02 0.00 0.00 177.57 177.15 2kne h PHE 92 N 0.53 1.12 -1.92 1.57 -1.00 -1.10 -3.32 116.94 112.83 2kne h PHE 92 Ca 0.12 -0.28 -0.70 0.00 2.81 0.00 0.00 57.97 59.92 2kne h PHE 92 Cb 0.41 -0.26 -0.15 0.00 3.61 0.00 0.00 35.95 39.56 2kne h PHE 92 CO 0.03 1.10 1.38 0.34 -1.61 0.00 0.00 178.31 179.55 2kne s ASP 93 N -6.75 6.87 0.11 2.17 -1.08 0.91 -4.65 116.67 114.26 2kne s ASP 93 Ca -0.11 -2.52 -0.21 0.00 -0.52 0.00 0.00 52.55 49.19 2kne s ASP 93 Cb 0.12 -2.45 -0.07 0.00 -1.46 0.00 0.00 42.92 39.06 2kne s ASP 93 CO 0.87 -0.97 1.73 0.50 0.52 0.00 0.00 175.17 177.82 2kne h LYS 94 N 7.89 0.05 -0.21 4.34 3.64 -1.70 -2.67 116.57 127.90 2kne h LYS 94 Ca 0.29 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2kne h LYS 94 Cb 0.92 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2kne h LYS 94 CO 1.26 0.03 0.00 -0.40 -2.27 0.00 0.00 179.45 178.07 2kne n ASP 95 N -5.12 2.05 -3.77 4.20 5.75 -1.26 -4.94 116.55 113.45 2kne n ASP 95 Ca -0.04 -1.78 -0.23 0.00 -0.01 0.00 0.00 54.79 52.73 2kne n ASP 95 Cb 0.08 -0.13 0.02 0.00 -1.03 0.00 0.00 41.12 40.05 2kne n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 96 N 1.21 -0.29 0.63 6.12 0.00 -1.01 -4.85 105.19 106.99 2kne n GLY 96 Ca 0.17 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.42 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 1.87 0.00 1.61 2.04 -1.26 -4.89 115.26 111.60 2kne n ASN 97 Ca -0.28 -1.78 0.00 0.00 -0.44 0.00 0.00 54.58 52.08 2kne n ASN 97 Cb 0.67 -0.14 0.00 0.00 -2.53 0.00 0.00 39.78 37.78 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 1.16 0.83 3.01 4.83 0.00 -1.26 -5.02 105.19 108.73 2kne n GLY 98 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 2kne n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kne s TYR 99 N -3.20 0.33 -0.34 1.61 2.02 -1.26 -4.47 117.35 112.04 2kne s TYR 99 Ca 0.00 -0.68 -0.18 0.00 -0.37 0.00 0.00 57.07 55.84 2kne s TYR 99 Cb 0.00 -0.25 -0.01 0.00 -0.40 0.00 0.00 41.96 41.31 2kne s TYR 99 CO 0.00 -0.24 0.49 0.42 -1.57 0.00 0.00 175.55 174.65 2kne s ILE 100 N -2.17 5.04 0.28 2.71 1.01 -0.60 -4.70 121.20 122.76 2kne s ILE 100 Ca -0.09 0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.79 2kne s ILE 100 Cb -0.05 -3.94 -0.07 0.00 0.01 0.00 0.00 42.46 38.41 2kne s ILE 100 CO -0.04 -0.18 0.62 -0.55 0.00 0.00 0.00 174.94 174.80 2kne s SER 101 N 1.74 6.64 0.19 3.58 0.15 -1.26 -2.80 113.70 121.94 2kne s SER 101 Ca 0.18 1.02 -0.12 0.00 0.70 0.00 0.00 55.95 57.73 2kne s SER 101 Cb -0.16 -2.27 0.16 0.00 -1.71 0.00 0.00 66.02 62.05 2kne s SER 101 CO 0.13 -0.16 1.79 0.00 1.20 0.00 0.00 173.24 176.20 2kne h ALA 102 N 2.25 0.71 -0.99 5.45 0.00 -1.97 -1.54 119.26 123.17 2kne h ALA 102 Ca -0.47 0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.60 2kne h ALA 102 Cb 1.17 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 2kne h ALA 102 CO 0.67 -0.06 0.62 0.00 0.00 0.00 0.00 179.25 180.49 2kne h ALA 103 N 1.29 1.60 -0.52 0.00 0.00 -2.00 -0.13 119.26 119.51 2kne h ALA 103 Ca 0.24 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2kne h ALA 103 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2kne h ALA 103 CO -0.17 0.12 -0.04 0.93 0.00 0.00 0.00 179.25 180.09 2kne h GLU 104 N 0.90 0.95 -0.35 0.00 5.08 -1.62 -3.12 114.58 116.41 2kne h GLU 104 Ca 0.51 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2kne h GLU 104 Cb 0.62 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2kne h GLU 104 CO -0.28 0.98 0.14 1.25 -1.00 0.00 0.00 179.01 180.10 2kne h LEU 105 N 0.81 0.48 -0.93 1.33 5.85 -0.34 -2.98 115.31 119.52 2kne h LEU 105 Ca 0.14 -0.16 0.28 0.00 0.84 0.00 0.00 57.88 58.98 2kne h LEU 105 Cb 0.58 -0.12 -0.15 0.00 0.37 0.00 0.00 40.66 41.34 2kne h LEU 105 CO 0.03 0.51 0.32 -0.09 -0.34 0.00 0.00 178.44 178.88 2kne h ARG 106 N 0.42 0.19 0.00 1.25 2.43 -1.10 0.84 114.38 118.41 2kne h ARG 106 Ca 0.12 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2kne h ARG 106 Cb 0.17 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2kne h ARG 106 CO -0.01 0.13 -0.24 1.25 -1.51 0.00 0.00 179.97 179.59 2kne h HIS 107 N 0.20 0.00 -0.78 2.20 2.76 -1.58 -2.96 115.15 114.99 2kne h HIS 107 Ca 0.63 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.84 2kne h HIS 107 Cb 1.37 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.28 2kne h HIS 107 CO -0.20 0.24 0.49 0.28 -1.30 0.00 0.00 177.93 177.43 2kne h VAL 108 N 0.00 1.09 -0.82 5.26 2.07 0.68 -2.39 116.25 122.13 2kne h VAL 108 Ca -0.00 -0.32 0.15 0.00 0.82 0.00 0.00 66.70 67.35 2kne h VAL 108 Cb 0.46 0.07 -0.10 0.00 -1.52 0.00 0.00 31.29 30.19 2kne h VAL 108 CO 0.03 0.17 0.38 0.24 0.02 0.00 0.00 177.57 178.41 2kne h MET 109 N 0.94 0.51 -0.86 1.57 2.07 -1.51 -0.98 114.93 116.68 2kne h MET 109 Ca 0.32 -0.03 0.05 0.00 -2.07 0.00 0.00 59.70 57.97 2kne h MET 109 Cb 0.06 -0.12 -0.06 0.00 -1.87 0.00 0.00 31.60 29.62 2kne h MET 109 CO -0.13 0.34 0.54 1.15 1.07 0.00 0.00 176.91 179.88 2kne h THR 110 N 0.53 1.09 -0.41 2.22 2.02 -1.57 0.51 112.91 117.30 2kne h THR 110 Ca 0.46 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 67.19 2kne h THR 110 Cb 0.70 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2kne h THR 110 CO -0.40 0.19 -0.11 -1.13 0.37 0.00 0.00 175.52 174.43 2kne h ASN 111 N 1.02 0.80 1.55 4.18 -1.24 -1.18 -2.97 115.58 117.75 2kne h ASN 111 Ca 0.36 -0.37 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2kne h ASN 111 Cb 0.09 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.92 2kne h ASN 111 CO -0.14 0.99 0.00 -0.07 -1.29 0.00 0.00 177.43 176.91 2kne h LEU 112 N 0.61 0.00 0.53 0.34 3.38 -0.76 -3.47 115.31 115.94 2kne h LEU 112 Ca 0.10 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2kne h LEU 112 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2kne h LEU 112 CO 0.04 0.00 -0.10 0.61 0.09 0.00 0.00 178.44 179.08 2kne n GLY 113 N 1.21 0.26 0.15 0.83 0.00 0.17 -4.94 105.19 102.88 2kne n GLY 113 Ca 0.05 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.40 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 -6.76 1.61 4.39 -1.65 -3.48 114.58 108.69 2kne h GLU 114 Ca -0.10 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.05 2kne h GLU 114 Cb 0.97 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2kne h GLU 114 CO 0.12 0.19 -0.99 1.63 -1.16 0.00 0.00 179.01 178.80 2kne n LYS 115 N -2.99 -0.67 -2.79 2.33 5.02 -1.26 -4.90 118.16 112.90 2kne n LYS 115 Ca -0.00 0.18 -0.34 0.00 -2.02 0.00 0.00 58.31 56.13 2kne n LYS 115 Cb 0.65 -3.08 -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 -7.21 3.99 0.86 -0.35 1.43 -1.26 -5.08 118.68 111.06 2kne s LEU 116 Ca 0.43 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 55.15 2kne s LEU 116 Cb -0.21 -4.46 0.15 0.00 0.03 0.00 0.00 46.19 41.69 2kne s LEU 116 CO 0.95 -0.35 1.20 0.42 0.23 0.00 0.00 176.35 178.79 2kne s THR 117 N -2.08 2.06 0.20 5.49 -4.23 -1.26 -4.85 115.64 110.98 2kne s THR 117 Ca 0.61 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.87 2kne s THR 117 Cb -0.11 -2.93 0.12 0.00 1.34 0.00 0.00 72.50 70.92 2kne s THR 117 CO 0.15 0.00 1.82 0.44 -0.54 0.00 0.00 174.62 176.50 2kne h ASP 118 N -1.20 0.59 -0.18 3.99 3.32 -1.99 -0.85 116.42 120.11 2kne h ASP 118 Ca -0.43 0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.65 2kne h ASP 118 Cb 1.27 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 2kne h ASP 118 CO 0.47 0.41 0.01 -0.33 -1.72 0.00 0.00 179.24 178.07 2kne h GLU 119 N 0.72 0.07 -0.02 3.56 5.08 -1.99 -1.64 114.58 120.36 2kne h GLU 119 Ca 0.26 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 2kne h GLU 119 Cb 0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2kne h GLU 119 CO -0.12 0.04 -0.53 0.93 -1.00 0.00 0.00 179.01 178.33 2kne h GLU 120 N 0.07 0.06 -0.60 2.33 5.08 -1.87 -0.68 114.58 118.97 2kne h GLU 120 Ca 0.08 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2kne h GLU 120 Cb 0.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2kne h GLU 120 CO -0.13 0.57 0.22 0.28 -1.00 0.00 0.00 179.01 178.95 2kne h VAL 121 N 0.05 1.23 -0.20 3.13 2.07 -0.79 -1.99 116.25 119.75 2kne h VAL 121 Ca -0.00 -0.75 -0.14 0.00 0.82 0.00 0.00 66.70 66.62 2kne h VAL 121 Cb 0.95 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2kne h VAL 121 CO 0.07 0.29 -0.47 0.44 0.02 0.00 0.00 177.57 177.92 2kne h ASP 122 N 0.83 0.57 0.08 0.57 3.32 -1.12 -3.12 116.42 117.55 2kne h ASP 122 Ca 0.20 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2kne h ASP 122 Cb 0.23 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2kne h ASP 122 CO -0.01 0.95 -0.05 -0.08 -1.72 0.00 0.00 179.24 178.34 2kne h GLU 123 N 0.42 -0.12 -0.70 3.56 4.81 -0.57 -1.98 114.58 119.99 2kne h GLU 123 Ca 0.02 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2kne h GLU 123 Cb 0.99 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.34 2kne h GLU 123 CO 0.09 -0.08 0.41 0.52 -0.73 0.00 0.00 179.01 179.22 2kne h MET 124 N -0.12 0.74 -0.60 1.92 2.86 -1.43 -2.25 114.93 116.04 2kne h MET 124 Ca -0.01 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2kne h MET 124 Cb 0.10 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 2kne h MET 124 CO 0.01 0.49 0.38 0.82 1.06 0.00 0.00 176.91 179.67 2kne h ILE 125 N 0.76 1.12 -0.90 -1.22 2.04 -1.42 -2.28 117.51 115.61 2kne h ILE 125 Ca 0.31 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.92 2kne h ILE 125 Cb 0.16 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 2kne h ILE 125 CO -0.17 0.14 0.59 -0.09 0.00 0.00 0.00 178.15 178.62 2kne h ARG 126 N 0.77 1.15 -0.97 2.37 2.43 -0.79 0.23 114.38 119.57 2kne h ARG 126 Ca 0.23 -0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 2kne h ARG 126 Cb -0.04 -0.26 -0.07 0.00 -0.42 0.00 0.00 29.97 29.18 2kne h ARG 126 CO -0.07 0.76 0.62 0.93 -1.51 0.00 0.00 179.97 180.70 2kne h GLU 127 N 1.18 1.09 0.00 0.20 4.39 -1.02 -2.55 114.58 117.88 2kne h GLU 127 Ca 0.34 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.97 2kne h GLU 127 Cb -0.09 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.32 2kne h GLU 127 CO -0.08 0.72 -1.16 0.00 -1.16 0.00 0.00 179.01 177.33 2kne n ALA 128 N -2.36 2.56 -2.34 3.43 0.00 -0.99 -4.75 120.51 116.06 2kne n ALA 128 Ca 0.15 -0.28 -0.35 0.00 0.00 0.00 0.00 53.44 52.95 2kne n ALA 128 Cb 0.18 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 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 -5.24 5.94 0.11 0.00 2.15 0.03 -4.75 116.67 114.91 2kne s ASP 129 Ca -0.02 -1.49 0.20 0.00 0.43 0.00 0.00 52.55 51.67 2kne s ASP 129 Cb 0.10 -2.57 0.83 0.00 -0.30 0.00 0.00 42.92 40.98 2kne s ASP 129 CO 0.81 -2.06 1.63 2.30 -0.17 0.00 0.00 175.17 177.68 2kne n ILE 130 N 7.22 0.80 -3.88 4.11 -5.35 -1.26 -4.66 119.36 116.33 2kne n ILE 130 Ca 0.40 0.17 -0.11 0.00 -0.27 0.00 0.00 62.75 62.94 2kne n ILE 130 Cb 0.48 -0.97 -0.13 0.00 -1.74 0.00 0.00 39.64 37.28 2kne n ILE 130 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2kne s ASP 131 N -3.58 0.02 -0.22 7.28 -4.77 -1.26 -5.06 116.67 109.09 2kne s ASP 131 Ca 0.07 -0.06 -0.04 0.00 -3.30 0.00 0.00 52.55 49.22 2kne s ASP 131 Cb 0.11 0.06 -0.15 0.00 -1.09 0.00 0.00 42.92 41.85 2kne s ASP 131 CO 0.37 -0.07 2.44 0.61 0.70 0.00 0.00 175.17 179.21 2kne n GLY 132 N 2.76 2.48 0.11 2.12 0.00 -1.26 -4.21 105.19 107.19 2kne n GLY 132 Ca -0.15 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.19 2kne n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kne n ASP 133 N 2.98 0.79 0.00 1.61 5.68 -1.26 -4.95 116.55 121.40 2kne n ASP 133 Ca 0.32 -0.59 0.00 0.00 -0.50 0.00 0.00 54.79 54.02 2kne n ASP 133 Cb 0.49 0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 2kne n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kne n GLY 134 N 1.44 0.73 3.12 6.12 0.00 -1.26 -4.99 105.19 110.35 2kne n GLY 134 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.24 0.69 -0.29 1.61 -0.21 -1.26 -4.80 119.66 115.14 2kne s GLN 135 Ca 0.00 -1.00 -0.11 0.00 0.02 0.00 0.00 55.36 54.27 2kne s GLN 135 Cb 0.00 -0.35 -0.04 0.00 1.00 0.00 0.00 33.01 33.62 2kne s GLN 135 CO 0.00 0.05 0.19 0.08 -2.12 0.00 0.00 175.29 173.49 2kne s VAL 136 N -2.17 5.18 0.82 1.09 1.01 -1.12 -4.92 120.40 120.29 2kne s VAL 136 Ca -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 2kne s VAL 136 Cb -0.05 -3.53 0.13 0.00 0.00 0.00 0.00 36.38 32.94 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 1.73 4.01 0.22 3.32 0.01 -1.26 -1.56 114.94 121.40 2kne s ASN 137 Ca 0.07 0.23 -0.08 0.00 -0.71 0.00 0.00 52.86 52.36 2kne s ASN 137 Cb -0.16 -0.57 0.17 0.00 0.41 0.00 0.00 41.25 41.10 2kne s ASN 137 CO 0.10 -2.13 1.83 0.22 -1.51 0.00 0.00 177.10 175.60 2kne h TYR 138 N -1.04 1.14 -0.51 2.20 3.20 -1.99 -1.98 116.97 117.99 2kne h TYR 138 Ca -0.43 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.41 2kne h TYR 138 Cb 1.27 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 2kne h TYR 138 CO -0.37 0.80 0.33 0.93 -1.64 0.00 0.00 178.16 178.21 2kne h GLU 139 N 1.14 0.68 -0.65 1.82 5.08 -1.97 -1.41 114.58 119.28 2kne h GLU 139 Ca 0.29 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 2kne h GLU 139 Cb 0.06 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2kne h GLU 139 CO -0.04 0.47 0.18 0.93 -1.00 0.00 0.00 179.01 179.55 2kne h GLU 140 N 0.69 1.00 -0.44 2.33 5.08 -1.82 -1.42 114.58 119.99 2kne h GLU 140 Ca 0.19 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2kne h GLU 140 Cb -0.05 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2kne h GLU 140 CO -0.04 0.87 0.29 0.35 -1.00 0.00 0.00 179.01 179.48 2kne h PHE 141 N 0.96 0.56 -0.13 4.33 3.57 -0.82 -2.54 116.94 122.87 2kne h PHE 141 Ca 0.21 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 2kne h PHE 141 Cb 0.30 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2kne h PHE 141 CO 0.02 0.37 0.01 0.28 -2.23 0.00 0.00 178.31 176.76 2kne h VAL 142 N 0.60 1.23 -0.64 1.41 2.07 -1.00 -1.73 116.25 118.19 2kne h VAL 142 Ca 0.16 -0.74 0.13 0.00 0.82 0.00 0.00 66.70 67.07 2kne h VAL 142 Cb -0.05 1.47 -0.10 0.00 -1.52 0.00 0.00 31.29 31.09 2kne h VAL 142 CO -0.03 0.22 0.12 -0.61 0.02 0.00 0.00 177.57 177.29 2kne h GLN 143 N -0.01 0.24 -0.23 1.57 4.15 -1.11 0.68 115.11 120.39 2kne h GLN 143 Ca 0.04 -0.01 -0.20 0.00 0.77 0.00 0.00 58.65 59.25 2kne h GLN 143 Cb 0.32 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.96 2kne h GLN 143 CO 0.00 0.16 -0.63 0.52 -1.93 0.00 0.00 178.83 176.95 2kne h MET 144 N 0.24 0.81 0.02 1.69 2.86 -1.38 -2.84 114.93 116.33 2kne h MET 144 Ca 0.35 -0.57 -0.10 0.00 -2.06 0.00 0.00 59.70 57.32 2kne h MET 144 Cb 0.54 0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.30 2kne h MET 144 CO -0.45 1.19 -0.40 0.52 1.06 0.00 0.00 176.91 178.83 2kne h MET 145 N 0.60 0.23 -1.15 1.72 2.86 -0.74 -3.31 114.93 115.13 2kne h MET 145 Ca -0.01 -0.28 -0.39 0.00 -2.06 0.00 0.00 59.70 56.96 2kne h MET 145 Cb 1.24 0.09 -0.20 0.00 0.06 0.00 0.00 31.60 32.79 2kne h MET 145 CO 0.13 1.03 0.50 0.25 1.06 0.00 0.00 176.91 179.88 2kne n THR 146 N -4.39 2.72 -0.33 2.22 -2.24 0.23 -4.63 114.28 107.86 2kne n THR 146 Ca -0.11 -1.63 0.20 0.00 -2.27 0.00 0.00 64.05 60.24 2kne n THR 146 Cb 0.60 -0.93 0.41 0.00 -2.10 0.00 0.00 70.33 68.31 2kne n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kne h ALA 147 N 1.48 1.80 0.00 6.98 0.00 -1.59 -3.47 119.26 124.46 2kne h ALA 147 Ca 0.41 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2kne h ALA 147 Cb 1.64 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2kne h ALA 147 CO 0.87 -0.42 0.00 1.63 0.00 0.00 0.00 179.25 181.33