#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 0.98 -3.57 0.00 3.58 -2.04 -3.41 116.42 111.95 2kne h ASP 2 Ca 0.00 -0.27 -0.61 0.00 0.42 0.00 0.00 57.03 56.57 2kne h ASP 2 Cb 0.00 -0.26 -0.13 0.00 1.72 0.00 0.00 39.33 40.65 2kne h ASP 2 CO 0.00 1.03 -0.37 -1.10 -2.88 0.00 0.00 179.24 175.92 2kne s GLN 3 N -5.03 4.10 0.00 0.28 -0.21 -1.26 -4.61 119.66 112.93 2kne s GLN 3 Ca -0.11 -0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.20 2kne s GLN 3 Cb 0.14 -3.55 0.00 0.00 1.00 0.00 0.00 33.01 30.60 2kne s GLN 3 CO 0.85 -0.02 0.00 1.47 -2.12 0.00 0.00 175.29 175.47 2kne n LEU 4 N 4.49 0.00 -4.75 2.90 -0.00 -1.26 -5.14 117.00 113.23 2kne n LEU 4 Ca -0.12 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.49 2kne n LEU 4 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.88 2kne n LEU 4 CO 0.37 0.00 0.72 0.42 -0.00 0.00 0.00 177.39 178.90 2kne s THR 5 N 0.00 3.78 0.10 1.47 -4.23 -1.26 -4.96 115.64 110.55 2kne s THR 5 Ca 0.00 1.79 -0.31 0.00 -1.18 0.00 0.00 61.69 61.99 2kne s THR 5 Cb 0.00 -4.14 -0.12 0.00 1.34 0.00 0.00 72.50 69.59 2kne s THR 5 CO 0.00 0.42 1.50 -0.08 -0.54 0.00 0.00 174.62 175.92 2kne h GLU 6 N 3.95 -0.52 -0.95 3.99 4.81 -2.01 -0.99 114.58 122.87 2kne h GLU 6 Ca -0.46 0.04 0.34 0.00 -0.13 0.00 0.00 59.36 59.15 2kne h GLU 6 Cb 1.21 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 30.59 2kne h GLU 6 CO 0.67 -0.35 0.59 -1.91 -0.73 0.00 0.00 179.01 177.29 2kne n GLU 7 N -5.16 -0.03 -0.00 1.92 2.13 -1.26 0.27 120.64 118.51 2kne n GLU 7 Ca -0.06 0.94 -0.07 0.00 0.66 0.00 0.00 57.16 58.63 2kne n GLU 7 Cb 0.34 -1.82 0.10 0.00 0.27 0.00 0.00 31.44 30.33 2kne n GLU 7 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2kne h GLN 8 N 0.00 0.55 -0.55 5.31 4.15 -1.56 -1.76 115.11 121.24 2kne h GLN 8 Ca 0.64 -0.29 0.01 0.00 0.77 0.00 0.00 58.65 59.78 2kne h GLN 8 Cb 1.99 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.66 2kne h GLN 8 CO -0.40 0.88 0.36 0.82 -1.93 0.00 0.00 178.83 178.56 2kne h ILE 9 N 0.44 1.12 -0.38 2.39 1.08 0.38 -0.98 117.51 121.57 2kne h ILE 9 Ca 0.03 -0.25 0.08 0.00 -0.39 0.00 0.00 64.86 64.33 2kne h ILE 9 Cb 0.94 0.33 -0.07 0.00 -3.07 0.00 0.00 36.82 34.95 2kne h ILE 9 CO 0.08 0.13 -0.09 0.00 -0.69 0.00 0.00 178.15 177.59 2kne h ALA 10 N 1.21 0.25 -0.42 1.87 0.00 -1.04 0.60 119.26 121.73 2kne h ALA 10 Ca 0.21 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2kne h ALA 10 Cb -0.06 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2kne h ALA 10 CO -0.06 -0.45 0.17 1.49 0.00 0.00 0.00 179.25 180.40 2kne h GLU 11 N 0.00 0.62 -0.74 0.00 4.57 -0.83 -3.01 114.58 115.19 2kne h GLU 11 Ca 0.18 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 2kne h GLU 11 Cb 0.28 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 2kne h GLU 11 CO -0.39 0.58 0.28 0.74 -1.18 0.00 0.00 179.01 179.04 2kne h PHE 12 N 0.53 1.14 -0.12 0.92 -1.00 -0.73 -3.04 116.94 114.65 2kne h PHE 12 Ca 0.14 -0.09 0.05 0.00 2.81 0.00 0.00 57.97 60.88 2kne h PHE 12 Cb 0.18 -0.34 -0.06 0.00 3.61 0.00 0.00 35.95 39.34 2kne h PHE 12 CO -0.00 0.87 -0.27 -0.22 -1.61 0.00 0.00 178.31 177.08 2kne h LYS 13 N 1.09 -0.33 -0.92 1.51 3.64 -0.75 -0.67 116.57 120.14 2kne h LYS 13 Ca 0.25 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.83 2kne h LYS 13 Cb 0.23 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.02 2kne h LYS 13 CO -0.02 -0.22 0.49 0.93 -2.27 0.00 0.00 179.45 178.36 2kne h GLU 14 N -0.34 0.60 -0.96 1.90 4.39 -1.53 0.34 114.58 118.97 2kne h GLU 14 Ca 0.10 -0.04 0.12 0.00 0.34 0.00 0.00 59.36 59.88 2kne h GLU 14 Cb 0.49 -0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 28.93 2kne h GLU 14 CO -0.31 0.40 0.61 0.00 -1.16 0.00 0.00 179.01 178.55 2kne h ALA 15 N 1.63 1.60 -0.89 3.43 0.00 -1.10 -2.35 119.26 121.58 2kne h ALA 15 Ca 0.53 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.51 2kne h ALA 15 Cb 0.85 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2kne h ALA 15 CO -0.41 0.17 0.57 0.74 0.00 0.00 0.00 179.25 180.31 2kne h PHE 16 N 0.93 1.05 0.00 0.00 -1.00 -0.57 -0.59 116.94 116.76 2kne h PHE 16 Ca 0.47 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.28 2kne h PHE 16 Cb 0.51 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.73 2kne h PHE 16 CO -0.00 0.56 0.00 0.66 -1.61 0.00 0.00 178.31 177.92 2kne h SER 17 N 1.06 0.00 -0.55 2.17 4.64 -1.45 -2.20 113.55 117.21 2kne h SER 17 Ca 0.38 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.64 2kne h SER 17 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2kne h SER 17 CO -0.15 0.00 0.13 0.25 -0.87 0.00 0.00 176.83 176.18 2kne h LEU 18 N 0.00 0.84 0.00 5.97 7.12 -1.12 -3.29 115.31 124.83 2kne h LEU 18 Ca 0.00 -0.24 0.00 0.00 0.13 0.00 0.00 57.88 57.77 2kne h LEU 18 Cb 0.18 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.09 2kne h LEU 18 CO 0.00 0.86 -1.12 2.22 -0.13 0.00 0.00 178.44 180.27 2kne n PHE 19 N -4.40 0.00 -2.19 1.25 1.16 -1.11 -4.86 117.46 107.31 2kne n PHE 19 Ca 0.02 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.26 2kne n PHE 19 Cb 0.24 -0.15 -0.04 0.00 -1.61 0.00 0.00 39.48 37.92 2kne n PHE 19 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2kne s ASP 20 N -2.97 5.53 0.01 5.98 1.01 -0.85 -4.82 116.67 120.56 2kne s ASP 20 Ca 0.01 -0.50 -0.25 0.00 0.71 0.00 0.00 52.55 52.53 2kne s ASP 20 Cb 0.11 -2.55 -0.18 0.00 1.01 0.00 0.00 42.92 41.30 2kne s ASP 20 CO 0.62 -2.32 1.37 0.50 0.21 0.00 0.00 175.17 175.55 2kne h LYS 21 N 11.94 0.04 -0.56 8.23 3.64 -1.89 -3.28 116.57 134.68 2kne h LYS 21 Ca -0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2kne h LYS 21 Cb 1.06 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2kne h LYS 21 CO 1.26 0.41 0.00 -0.40 -2.27 0.00 0.00 179.45 178.45 2kne n ASP 22 N -4.88 4.65 -3.81 4.20 5.75 -1.26 -4.96 116.55 116.23 2kne n ASP 22 Ca -0.08 -2.55 -0.27 0.00 -0.01 0.00 0.00 54.79 51.87 2kne n ASP 22 Cb 0.21 -0.56 -0.07 0.00 -1.03 0.00 0.00 41.12 39.67 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 0.79 -0.19 0.17 6.12 0.00 -1.24 -4.75 105.19 106.09 2kne n GLY 23 Ca 0.24 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.50 2kne n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kne n ASP 24 N -1.86 0.65 0.00 1.61 5.75 -1.26 -4.90 116.55 116.54 2kne n ASP 24 Ca -0.08 -0.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 2kne n ASP 24 Cb 0.43 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 2kne n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 25 N 1.27 0.87 3.05 6.12 0.00 -1.26 -5.03 105.19 110.21 2kne n GLY 25 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 2kne n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kne s THR 26 N -2.92 0.36 -0.20 2.61 -4.23 -1.26 -4.78 115.64 105.22 2kne s THR 26 Ca 0.00 -1.25 -0.18 0.00 -1.18 0.00 0.00 61.69 59.07 2kne s THR 26 Cb 0.00 -0.78 -0.03 0.00 1.34 0.00 0.00 72.50 73.03 2kne s THR 26 CO 0.00 -0.59 0.52 -0.63 -0.54 0.00 0.00 174.62 173.38 2kne s ILE 27 N -2.12 5.10 0.32 2.99 1.09 -0.93 -4.93 121.20 122.73 2kne s ILE 27 Ca -0.06 0.95 0.09 0.00 -1.10 0.00 0.00 60.65 60.53 2kne s ILE 27 Cb -0.05 -3.84 -0.05 0.00 -1.06 0.00 0.00 42.46 37.46 2kne s ILE 27 CO -0.02 0.17 0.06 0.42 -0.10 0.00 0.00 174.94 175.47 2kne s THR 28 N 1.65 3.04 0.34 2.92 -4.23 -1.26 -2.72 115.64 115.38 2kne s THR 28 Ca 0.24 -1.83 0.03 0.00 -1.18 0.00 0.00 61.69 58.95 2kne s THR 28 Cb -0.15 -2.89 0.28 0.00 1.34 0.00 0.00 72.50 71.08 2kne s THR 28 CO 0.10 -0.24 1.96 0.71 -0.54 0.00 0.00 174.62 176.60 2kne h THR 29 N 1.72 1.08 0.78 3.99 1.35 -1.92 -1.74 112.91 118.16 2kne h THR 29 Ca -0.44 -0.30 -0.04 0.00 -0.55 0.00 0.00 66.41 65.08 2kne h THR 29 Cb 1.25 0.11 0.01 0.00 -1.73 0.00 0.00 68.15 67.79 2kne h THR 29 CO 0.63 0.16 -0.38 0.50 -0.25 0.00 0.00 175.52 176.19 2kne h LYS 30 N 0.89 -1.01 0.00 4.72 3.64 -1.98 -2.29 116.57 120.53 2kne h LYS 30 Ca 0.32 0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 2kne h LYS 30 Cb 0.13 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2kne h LYS 30 CO -0.10 -0.68 -0.03 1.05 -2.27 0.00 0.00 179.45 177.42 2kne h GLU 31 N -1.07 0.00 0.49 1.90 4.11 -1.90 -1.94 114.58 116.15 2kne h GLU 31 Ca -0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 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 0.18 0.03 -0.23 1.25 0.07 0.00 0.00 179.01 180.30 2kne h LEU 32 N 0.00 -0.55 -0.98 3.06 5.85 -1.17 -2.90 115.31 118.61 2kne h LEU 32 Ca -0.00 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2kne h LEU 32 Cb 0.05 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 2kne h LEU 32 CO 0.00 -0.35 0.64 1.23 -0.34 0.00 0.00 178.44 179.62 2kne h GLY 33 N -0.70 1.42 0.82 3.75 0.00 -0.97 -2.57 103.07 104.81 2kne h GLY 33 Ca -0.07 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 2kne h GLY 33 CO 0.11 0.43 -0.24 -0.84 0.00 0.00 0.00 176.54 175.99 2kne h THR 34 N 1.25 0.48 -0.43 4.70 2.02 -1.29 -1.05 112.91 118.59 2kne h THR 34 Ca 0.39 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.61 2kne h THR 34 Cb -0.02 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 2kne h THR 34 CO -0.12 0.00 0.18 0.58 0.37 0.00 0.00 175.52 176.53 2kne h VAL 35 N -0.58 0.91 -0.87 3.16 2.07 -1.30 -1.91 116.25 117.73 2kne h VAL 35 Ca -0.03 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.40 2kne h VAL 35 Cb 0.50 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2kne h VAL 35 CO 0.00 0.07 0.56 -0.03 0.02 0.00 0.00 177.57 178.19 2kne h MET 36 N 0.37 1.05 -0.97 1.57 -1.53 -1.31 -1.17 114.93 112.94 2kne h MET 36 Ca 0.20 -0.06 0.19 0.00 -3.44 0.00 0.00 59.70 56.58 2kne h MET 36 Cb 0.15 -0.24 -0.09 0.00 -0.55 0.00 0.00 31.60 30.88 2kne h MET 36 CO -0.17 0.70 0.61 -0.09 0.14 0.00 0.00 176.91 178.09 2kne h ARG 37 N 1.08 0.65 0.00 0.39 2.43 -0.39 1.05 114.38 119.59 2kne h ARG 37 Ca 0.35 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2kne h ARG 37 Cb 0.01 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 2kne h ARG 37 CO -0.12 0.43 -0.01 1.03 -1.51 0.00 0.00 179.97 179.79 2kne h SER 38 N 0.67 0.00 0.03 -3.80 0.87 -0.85 0.78 113.55 111.25 2kne h SER 38 Ca 0.54 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 2kne h SER 38 Cb 0.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2kne h SER 38 CO -0.30 0.01 0.00 -0.11 -0.53 0.00 0.00 176.83 175.90 2kne n LEU 39 N -3.16 0.00 0.00 2.23 7.94 0.36 -4.83 117.00 119.54 2kne n LEU 39 Ca -0.02 0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2kne n LEU 39 Cb 0.13 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.06 2kne n LEU 39 CO 0.23 -0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.11 2kne n GLY 40 N 0.42 0.57 3.77 -3.96 0.00 0.27 -5.06 105.19 101.20 2kne n GLY 40 Ca 0.16 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.83 2.77 -0.70 1.61 -0.21 -1.23 -5.07 119.66 116.00 2kne s GLN 41 Ca 0.00 -1.08 0.04 0.00 0.02 0.00 0.00 55.36 54.34 2kne s GLN 41 Cb 0.00 -2.49 0.29 0.00 1.00 0.00 0.00 33.01 31.81 2kne s GLN 41 CO 0.00 0.42 0.99 -1.71 -2.12 0.00 0.00 175.29 172.87 2kne n ASN 42 N -0.87 4.62 -4.76 5.90 2.85 -1.26 -4.42 115.26 117.31 2kne n ASN 42 Ca -0.08 -3.55 -0.39 0.00 -0.11 0.00 0.00 54.58 50.46 2kne n ASN 42 Cb 0.57 -0.74 0.01 0.00 1.24 0.00 0.00 39.78 40.86 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 -3.01 3.68 0.72 1.20 0.04 -1.26 -5.01 135.00 131.35 2kne s PRO 43 Ca 0.42 2.19 -0.11 0.00 0.04 0.00 0.00 61.00 63.54 2kne s PRO 43 Cb 0.19 -2.57 0.02 0.00 0.04 0.00 0.00 34.50 32.18 2kne s PRO 43 CO -0.05 -0.75 1.10 -0.08 0.04 0.00 0.00 177.00 177.26 2kne s THR 44 N -1.29 3.25 0.19 1.26 -1.32 -1.26 -4.95 115.64 111.51 2kne s THR 44 Ca 0.62 0.37 -0.12 0.00 -1.21 0.00 0.00 61.69 61.35 2kne s THR 44 Cb -0.39 -3.40 0.09 0.00 -1.51 0.00 0.00 72.50 67.30 2kne s THR 44 CO 0.49 -0.52 1.81 -0.08 -2.21 0.00 0.00 174.62 174.11 2kne h GLU 45 N -0.69 0.60 -0.17 7.08 4.22 -2.03 -1.36 114.58 122.24 2kne h GLU 45 Ca -0.45 -0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.00 2kne h GLU 45 Cb 1.27 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2kne h GLU 45 CO 0.64 0.40 0.25 0.00 -2.18 0.00 0.00 179.01 178.12 2kne h ALA 46 N 1.27 1.69 -0.65 2.92 0.00 -2.01 -0.50 119.26 121.98 2kne h ALA 46 Ca 0.24 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2kne h ALA 46 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2kne h ALA 46 CO -0.13 -0.34 0.06 1.49 0.00 0.00 0.00 179.25 180.33 2kne h GLU 47 N 0.00 1.11 -0.94 0.00 4.57 -1.61 -1.87 114.58 115.84 2kne h GLU 47 Ca 0.08 -0.32 0.09 0.00 -1.18 0.00 0.00 59.36 58.04 2kne h GLU 47 Cb 0.59 -0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 28.99 2kne h GLU 47 CO -0.00 1.04 0.59 -0.07 -1.18 0.00 0.00 179.01 179.38 2kne h LEU 48 N 1.03 0.88 0.27 1.64 4.07 -1.16 -1.88 115.31 120.16 2kne h LEU 48 Ca 0.19 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 2kne h LEU 48 Cb 0.50 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.10 2kne h LEU 48 CO 0.02 0.51 -0.13 -0.61 -1.08 0.00 0.00 178.44 177.15 2kne h GLN 49 N 0.99 -0.35 -0.33 1.13 4.15 -1.52 -2.76 115.11 116.42 2kne h GLN 49 Ca 0.44 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.95 2kne h GLN 49 Cb 0.35 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.06 2kne h GLN 49 CO -0.23 -0.02 -0.01 0.22 -1.93 0.00 0.00 178.83 176.86 2kne h ASP 50 N -0.94 -0.16 -0.08 -0.69 3.58 -1.23 -1.25 116.42 115.65 2kne h ASP 50 Ca -0.04 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 2kne h ASP 50 Cb 0.50 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 2kne h ASP 50 CO 0.06 -0.05 -0.01 0.24 -2.88 0.00 0.00 179.24 176.60 2kne h MET 51 N 0.08 0.14 -0.38 0.28 2.86 -1.48 -3.01 114.93 113.42 2kne h MET 51 Ca 0.16 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2kne h MET 51 Cb 0.22 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 2kne h MET 51 CO -0.28 0.45 0.20 0.82 1.06 0.00 0.00 176.91 179.17 2kne h ILE 52 N -0.18 1.00 -0.76 -1.22 1.08 -1.39 -2.33 117.51 113.72 2kne h ILE 52 Ca 0.02 -0.14 0.11 0.00 -0.39 0.00 0.00 64.86 64.46 2kne h ILE 52 Cb 0.40 0.55 -0.05 0.00 -3.07 0.00 0.00 36.82 34.64 2kne h ILE 52 CO 0.01 0.08 0.50 0.78 -0.69 0.00 0.00 178.15 178.82 2kne h ASN 53 N 0.42 0.54 -0.57 1.72 2.35 -1.24 0.33 115.58 119.13 2kne h ASN 53 Ca 0.16 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 2kne h ASN 53 Cb 0.05 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2kne h ASN 53 CO -0.10 0.31 -0.04 -0.33 -1.65 0.00 0.00 177.43 175.62 2kne h GLU 54 N 0.59 1.04 0.00 0.81 4.39 -1.28 -3.10 114.58 117.04 2kne h GLU 54 Ca 0.36 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kne h GLU 54 Cb 0.58 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2kne h GLU 54 CO -0.13 1.05 -0.64 0.28 -1.16 0.00 0.00 179.01 178.41 2kne h VAL 55 N 0.93 0.12 -0.95 3.13 2.07 -1.31 -3.43 116.25 116.80 2kne h VAL 55 Ca 0.16 -1.20 -0.63 0.00 0.82 0.00 0.00 66.70 65.85 2kne h VAL 55 Cb 0.61 1.81 -0.09 0.00 -1.52 0.00 0.00 31.29 32.10 2kne h VAL 55 CO 0.04 0.07 1.87 -0.62 0.02 0.00 0.00 177.57 178.95 2kne s ASP 56 N -5.80 6.63 0.32 0.57 2.15 0.05 -4.84 116.67 115.76 2kne s ASP 56 Ca 0.02 -1.99 -0.00 0.00 0.43 0.00 0.00 52.55 51.01 2kne s ASP 56 Cb 0.08 -2.58 0.52 0.00 -0.30 0.00 0.00 42.92 40.64 2kne s ASP 56 CO 0.75 -1.38 1.96 0.00 -0.17 0.00 0.00 175.17 176.33 2kne h ALA 57 N 8.60 1.43 -0.01 3.66 0.00 -1.84 -2.61 119.26 128.49 2kne h ALA 57 Ca 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2kne h ALA 57 Cb 0.93 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2kne h ALA 57 CO 1.44 0.49 -0.07 -0.40 0.00 0.00 0.00 179.25 180.71 2kne n ASP 58 N -4.39 0.85 -1.80 0.00 5.75 -1.26 -4.92 116.55 110.77 2kne n ASP 58 Ca 0.07 -1.06 -0.20 0.00 -0.01 0.00 0.00 54.79 53.59 2kne n ASP 58 Cb 0.07 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.10 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 1.19 1.22 0.43 6.12 0.00 -0.98 -4.85 105.19 108.32 2kne n GLY 59 Ca 0.18 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.49 1.29 0.00 1.61 6.94 -1.26 -4.91 115.26 117.45 2kne n ASN 60 Ca -0.22 -1.62 0.00 0.00 -0.02 0.00 0.00 54.58 52.73 2kne n ASN 60 Cb 0.68 -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 1.07 0.84 3.45 4.83 0.00 -1.26 -5.00 105.19 109.11 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 -3.31 0.01 -0.14 2.61 -4.23 -1.26 -4.71 115.64 104.61 2kne s THR 62 Ca 0.00 -1.52 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 2kne s THR 62 Cb 0.00 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 2kne s THR 62 CO 0.00 -0.07 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.27 2kne s ILE 63 N -4.03 3.15 0.35 2.99 1.01 -1.10 -4.81 121.20 118.75 2kne s ILE 63 Ca 0.25 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.33 2kne s ILE 63 Cb 0.02 -2.34 0.05 0.00 0.01 0.00 0.00 42.46 40.20 2kne s ILE 63 CO 0.07 0.51 0.41 -0.90 0.00 0.00 0.00 174.94 175.03 2kne n ASP 64 N 3.67 1.59 -0.09 3.58 5.68 -1.26 -2.18 116.55 127.54 2kne n ASP 64 Ca -0.18 -2.03 -0.08 0.00 -0.50 0.00 0.00 54.79 52.01 2kne n ASP 64 Cb 0.52 -0.18 -0.00 0.00 -1.14 0.00 0.00 41.12 40.33 2kne n ASP 64 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2kne h PHE 65 N 0.26 0.25 -0.05 2.11 3.04 -1.99 -2.02 116.94 118.54 2kne h PHE 65 Ca -0.18 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.81 2kne h PHE 65 Cb 0.77 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.18 2kne h PHE 65 CO 0.00 0.13 -0.15 -1.35 -2.02 0.00 0.00 178.31 174.92 2kne h PRO 66 N 0.29 -0.21 0.00 6.41 0.11 -2.01 0.25 132.00 136.85 2kne h PRO 66 Ca 0.13 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2kne h PRO 66 Cb 0.07 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.22 2kne h PRO 66 CO -0.11 -0.14 0.00 0.93 -0.21 0.00 0.00 178.00 178.47 2kne h GLU 67 N -0.22 0.00 0.21 1.05 5.08 -1.92 -2.82 114.58 115.96 2kne h GLU 67 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2kne h GLU 67 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2kne h GLU 67 CO -0.18 0.00 -0.10 0.35 -1.00 0.00 0.00 179.01 178.08 2kne h PHE 68 N 0.00 -0.27 -0.58 4.33 3.57 -0.21 -3.34 116.94 120.45 2kne h PHE 68 Ca 0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 2kne h PHE 68 Cb 0.06 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 2kne h PHE 68 CO 0.00 -0.11 0.29 -0.07 -2.23 0.00 0.00 178.31 176.19 2kne h LEU 69 N -1.06 0.41 -0.80 0.59 3.38 -1.10 -2.14 115.31 114.58 2kne h LEU 69 Ca -0.03 0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.17 2kne h LEU 69 Cb 0.27 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.84 2kne h LEU 69 CO 0.05 0.27 0.01 0.71 0.09 0.00 0.00 178.44 179.56 2kne h THR 70 N 0.55 0.28 -0.17 0.22 1.35 -1.68 -0.81 112.91 112.65 2kne h THR 70 Ca 0.26 -0.03 -0.04 0.00 -0.55 0.00 0.00 66.41 66.05 2kne h THR 70 Cb 0.20 0.18 -0.00 0.00 -1.73 0.00 0.00 68.15 66.79 2kne h THR 70 CO -0.19 0.02 -0.05 0.24 -0.25 0.00 0.00 175.52 175.28 2kne h MET 71 N 0.09 0.33 -0.89 4.72 2.86 -1.51 -3.13 114.93 117.39 2kne h MET 71 Ca 0.45 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.94 2kne h MET 71 Cb 0.81 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.41 2kne h MET 71 CO -0.72 0.61 0.47 0.52 1.06 0.00 0.00 176.91 178.86 2kne h MET 72 N 0.03 1.25 -0.33 1.72 2.07 -0.95 0.24 114.93 118.96 2kne h MET 72 Ca 0.04 -0.15 -0.04 0.00 -2.07 0.00 0.00 59.70 57.47 2kne h MET 72 Cb 0.50 -0.24 -0.02 0.00 -1.87 0.00 0.00 31.60 29.97 2kne h MET 72 CO 0.02 0.92 0.01 0.00 1.07 0.00 0.00 176.91 178.93 2kne h ALA 73 N 1.27 1.41 0.00 6.32 0.00 -1.24 -2.59 119.26 124.44 2kne h ALA 73 Ca 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kne h ALA 73 Cb 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2kne h ALA 73 CO -0.05 0.42 -0.93 0.54 0.00 0.00 0.00 179.25 179.23 2kne n ARG 74 N -4.30 0.15 -1.73 0.00 1.74 -1.01 -4.58 116.66 106.94 2kne n ARG 74 Ca 0.01 -0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 2kne n ARG 74 Cb 0.23 -1.54 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 2kne n ARG 74 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2kne n LYS 75 N -1.74 3.27 -0.53 5.56 3.00 0.83 -4.48 118.16 124.07 2kne n LYS 75 Ca 0.03 -2.68 0.08 0.00 -0.00 0.00 0.00 58.31 55.74 2kne n LYS 75 Cb 0.39 -3.08 0.29 0.00 0.00 0.00 0.00 35.03 32.63 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 4.93 3.46 -1.60 1.64 2.81 -1.26 -4.94 117.12 122.15 2kne n MET 76 Ca 0.57 -2.80 -0.49 0.00 -1.81 0.00 0.00 57.70 53.17 2kne n MET 76 Cb 0.34 -1.85 -0.05 0.00 -0.71 0.00 0.00 33.22 30.95 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 0.16 1.36 -3.12 0.03 4.81 -1.26 -4.91 118.16 115.23 2kne n LYS 77 Ca 0.22 0.49 -0.43 0.00 -0.87 0.00 0.00 58.31 57.71 2kne n LYS 77 Cb 0.88 -2.08 -0.06 0.00 0.02 0.00 0.00 35.03 33.78 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 0.30 6.28 -0.25 3.14 1.01 -1.26 -5.03 116.67 120.86 2kne s ASP 78 Ca 0.77 -0.56 -0.17 0.00 0.71 0.00 0.00 52.55 53.31 2kne s ASP 78 Cb -0.85 -2.31 -0.03 0.00 1.01 0.00 0.00 42.92 40.74 2kne s ASP 78 CO 0.48 -0.84 0.46 -0.89 0.21 0.00 0.00 175.17 174.59 2kne s THR 79 N 2.80 5.12 -0.26 -1.27 2.01 -1.26 -5.02 115.64 117.77 2kne s THR 79 Ca 0.20 0.78 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 2kne s THR 79 Cb -0.16 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 2kne s THR 79 CO 0.16 0.14 1.66 -1.81 -0.69 0.00 0.00 174.62 174.08 2kne s ASP 80 N 1.45 6.24 0.57 3.53 1.11 -1.26 -4.80 116.67 123.50 2kne s ASP 80 Ca 0.19 1.49 0.00 0.00 0.18 0.00 0.00 52.55 54.41 2kne s ASP 80 Cb -0.15 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.30 2kne s ASP 80 CO 0.09 -1.40 0.88 -1.20 1.18 0.00 0.00 175.17 174.72 2kne n SER 81 N 8.99 0.00 -0.17 0.27 7.64 -1.26 0.58 113.62 129.67 2kne n SER 81 Ca 0.20 0.43 -0.10 0.00 1.01 0.00 0.00 58.87 60.41 2kne n SER 81 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2kne n SER 81 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2kne h GLU 82 N 0.00 0.95 -0.94 1.43 4.81 -2.02 -2.92 114.58 115.88 2kne h GLU 82 Ca 0.00 -0.34 0.07 0.00 -0.13 0.00 0.00 59.36 58.96 2kne h GLU 82 Cb 1.75 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 31.00 2kne h GLU 82 CO 0.00 1.00 0.60 1.49 -0.73 0.00 0.00 179.01 181.37 2kne h GLU 83 N 0.81 1.04 0.00 1.92 4.81 -0.24 -3.24 114.58 119.67 2kne h GLU 83 Ca 0.13 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2kne h GLU 83 Cb 0.63 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2kne h GLU 83 CO 0.04 0.69 0.00 -1.91 -0.73 0.00 0.00 179.01 177.10 2kne n GLU 84 N -4.56 0.00 -0.01 1.92 4.07 -1.15 -2.89 120.64 118.02 2kne n GLU 84 Ca 0.15 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.24 2kne n GLU 84 Cb 0.20 -0.67 -0.00 0.00 -0.06 0.00 0.00 31.44 30.91 2kne n GLU 84 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 2kne n ILE 85 N -0.47 -0.02 -0.27 6.31 -6.64 -1.12 0.31 119.36 117.46 2kne n ILE 85 Ca 0.00 0.07 -0.05 0.00 -1.77 0.00 0.00 62.75 61.00 2kne n ILE 85 Cb 0.00 -0.08 0.06 0.00 -1.44 0.00 0.00 39.64 38.18 2kne n ILE 85 CO 0.00 0.00 0.00 0.08 -1.77 0.00 0.00 176.55 174.86 2kne h ARG 86 N 0.00 1.01 -0.89 6.28 0.11 -1.73 -2.80 114.38 116.36 2kne h ARG 86 Ca 0.00 -0.09 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 2kne h ARG 86 Cb 0.01 -0.21 -0.04 0.00 1.11 0.00 0.00 29.97 30.83 2kne h ARG 86 CO -0.02 0.71 0.47 0.93 0.10 0.00 0.00 179.97 182.15 2kne h GLU 87 N 1.02 1.25 0.00 0.08 4.39 0.50 -1.12 114.58 120.70 2kne h GLU 87 Ca 0.27 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2kne h GLU 87 Cb -0.05 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.36 2kne h GLU 87 CO -0.05 0.93 0.00 0.00 -1.16 0.00 0.00 179.01 178.73 2kne h ALA 88 N 1.26 1.00 0.12 3.43 0.00 -0.98 -2.78 119.26 121.31 2kne h ALA 88 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2kne h ALA 88 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kne h ALA 88 CO -0.05 0.00 -0.06 0.35 0.00 0.00 0.00 179.25 179.49 2kne h PHE 89 N 0.00 -0.15 -0.96 0.00 3.57 -1.11 -2.58 116.94 115.71 2kne h PHE 89 Ca 0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.59 2kne h PHE 89 Cb 0.14 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.86 2kne h PHE 89 CO 0.00 0.32 0.60 0.00 -2.23 0.00 0.00 178.31 176.99 2kne h ARG 90 N -0.74 0.97 -0.42 1.11 3.08 -1.52 0.24 114.38 117.10 2kne h ARG 90 Ca -0.02 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 2kne h ARG 90 Cb 0.54 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2kne h ARG 90 CO 0.03 0.64 -0.03 0.28 -1.07 0.00 0.00 179.97 179.82 2kne h VAL 91 N 1.00 1.27 -0.40 2.04 2.07 -1.61 -3.08 116.25 117.53 2kne h VAL 91 Ca 0.45 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.77 2kne h VAL 91 Cb 0.37 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2kne h VAL 91 CO -0.23 0.37 -0.24 -0.26 0.02 0.00 0.00 177.57 177.23 2kne h PHE 92 N 0.59 0.92 -2.22 1.57 -1.00 -0.88 -3.31 116.94 112.62 2kne h PHE 92 Ca 0.11 -0.22 -0.72 0.00 2.81 0.00 0.00 57.97 59.96 2kne h PHE 92 Cb 0.53 -0.22 -0.17 0.00 3.61 0.00 0.00 35.95 39.70 2kne h PHE 92 CO 0.04 0.96 1.19 0.34 -1.61 0.00 0.00 178.31 179.23 2kne s ASP 93 N -6.76 6.91 0.14 2.17 -1.08 0.75 -4.68 116.67 114.12 2kne s ASP 93 Ca -0.10 -2.64 -0.17 0.00 -0.52 0.00 0.00 52.55 49.12 2kne s ASP 93 Cb 0.13 -2.41 -0.01 0.00 -1.46 0.00 0.00 42.92 39.17 2kne s ASP 93 CO 0.84 -0.87 1.79 0.11 0.52 0.00 0.00 175.17 177.56 2kne h LYS 94 N 7.77 0.47 -0.21 4.34 1.57 -1.70 -2.74 116.57 126.08 2kne h LYS 94 Ca 0.26 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2kne h LYS 94 Cb 0.93 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2kne h LYS 94 CO 1.20 0.34 0.00 -0.40 -0.57 0.00 0.00 179.45 180.02 2kne n ASP 95 N -4.82 1.99 -3.86 0.86 5.75 -1.26 -4.94 116.55 110.26 2kne n ASP 95 Ca -0.00 -1.77 -0.24 0.00 -0.01 0.00 0.00 54.79 52.77 2kne n ASP 95 Cb 0.04 -0.13 -0.00 0.00 -1.03 0.00 0.00 41.12 40.00 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 1.19 -0.25 0.63 6.12 0.00 -1.03 -4.84 105.19 107.01 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 -3.01 1.87 0.00 1.61 6.94 -1.26 -4.89 115.26 116.52 2kne n ASN 97 Ca -0.31 -1.84 0.00 0.00 -0.02 0.00 0.00 54.58 52.42 2kne n ASN 97 Cb 0.68 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 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 1.13 0.89 3.01 4.83 0.00 -1.26 -5.01 105.19 108.77 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 -3.53 0.36 -0.31 1.61 1.51 -1.26 -4.62 117.35 111.11 2kne s TYR 99 Ca 0.00 -0.63 -0.15 0.00 -1.01 0.00 0.00 57.07 55.28 2kne s TYR 99 Cb 0.00 -0.25 -0.02 0.00 -0.11 0.00 0.00 41.96 41.57 2kne s TYR 99 CO 0.00 -0.21 0.39 0.42 -1.11 0.00 0.00 175.55 175.04 2kne s ILE 100 N -1.92 5.15 0.27 2.71 1.01 -0.71 -4.72 121.20 122.98 2kne s ILE 100 Ca -0.11 0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.81 2kne s ILE 100 Cb -0.07 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.56 2kne s ILE 100 CO -0.02 0.01 0.56 -0.44 0.00 0.00 0.00 174.94 175.05 2kne s SER 101 N 1.69 6.52 0.16 3.58 0.01 -1.26 -2.27 113.70 122.14 2kne s SER 101 Ca 0.14 0.82 -0.15 0.00 1.31 0.00 0.00 55.95 58.07 2kne s SER 101 Cb -0.16 -2.19 0.08 0.00 0.21 0.00 0.00 66.02 63.97 2kne s SER 101 CO 0.11 -0.16 1.76 0.00 0.41 0.00 0.00 173.24 175.36 2kne h ALA 102 N 2.00 0.48 -0.97 1.44 0.00 -1.98 -1.70 119.26 118.52 2kne h ALA 102 Ca -0.47 0.04 0.16 0.00 0.00 0.00 0.00 54.91 54.64 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 0.58 0.00 0.00 0.00 0.00 179.25 180.28 2kne h ALA 103 N 1.25 1.54 -0.49 0.00 0.00 -1.99 -0.01 119.26 119.56 2kne h ALA 103 Ca 0.18 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2kne h ALA 103 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2kne h ALA 103 CO -0.17 0.04 0.07 0.93 0.00 0.00 0.00 179.25 180.11 2kne h GLU 104 N 0.82 0.83 -0.40 0.00 5.08 -1.66 -3.09 114.58 116.16 2kne h GLU 104 Ca 0.53 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2kne h GLU 104 Cb 0.71 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2kne h GLU 104 CO -0.34 0.83 0.17 -0.07 -1.00 0.00 0.00 179.01 178.60 2kne h LEU 105 N 0.70 0.54 -0.96 1.33 3.38 -0.31 -3.04 115.31 116.95 2kne h LEU 105 Ca 0.15 -0.16 0.28 0.00 0.09 0.00 0.00 57.88 58.24 2kne h LEU 105 Cb 0.41 -0.14 -0.17 0.00 0.09 0.00 0.00 40.66 40.85 2kne h LEU 105 CO 0.01 0.55 0.12 -0.09 0.09 0.00 0.00 178.44 179.13 2kne h ARG 106 N 0.50 0.05 -0.01 1.13 2.43 -1.06 1.48 114.38 118.89 2kne h ARG 106 Ca 0.13 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2kne h ARG 106 Cb 0.17 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2kne h ARG 106 CO -0.01 0.03 0.01 1.25 -1.51 0.00 0.00 179.97 179.74 2kne h HIS 107 N 0.05 0.00 -0.72 2.20 2.76 -1.60 -2.45 115.15 115.38 2kne h HIS 107 Ca 0.61 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.82 2kne h HIS 107 Cb 1.31 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.22 2kne h HIS 107 CO -0.39 0.00 0.45 0.28 -1.30 0.00 0.00 177.93 176.96 2kne h VAL 108 N 0.00 1.08 -0.69 5.26 2.07 0.20 -2.60 116.25 121.56 2kne h VAL 108 Ca 0.01 -0.30 0.13 0.00 0.82 0.00 0.00 66.70 67.36 2kne h VAL 108 Cb 0.03 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 29.85 2kne h VAL 108 CO -0.00 0.16 0.21 0.24 0.02 0.00 0.00 177.57 178.20 2kne h MET 109 N 0.87 0.33 -0.90 1.57 2.86 -1.50 -1.04 114.93 117.12 2kne h MET 109 Ca 0.30 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.97 2kne h MET 109 Cb 0.05 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.58 2kne h MET 109 CO -0.12 0.22 0.59 1.79 1.06 0.00 0.00 176.91 180.44 2kne h THR 110 N 0.34 1.10 -0.46 2.22 1.35 -1.60 0.25 112.91 116.10 2kne h THR 110 Ca 0.38 -0.36 -0.13 0.00 -0.55 0.00 0.00 66.41 65.75 2kne h THR 110 Cb 0.58 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.94 2kne h THR 110 CO -0.42 0.19 -0.21 -1.13 -0.25 0.00 0.00 175.52 173.70 2kne h ASN 111 N 1.06 0.98 1.28 5.36 -1.24 -1.17 -2.98 115.58 118.86 2kne h ASN 111 Ca 0.38 -0.40 0.00 0.00 0.71 0.00 0.00 56.30 56.99 2kne h ASN 111 Cb 0.13 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 38.91 2kne h ASN 111 CO -0.13 1.16 -0.09 0.18 -1.29 0.00 0.00 177.43 177.26 2kne n LEU 112 N -4.15 0.63 -0.56 0.34 4.77 -0.74 -4.94 117.00 112.35 2kne n LEU 112 Ca -0.00 0.50 -0.05 0.00 -0.03 0.00 0.00 56.01 56.43 2kne n LEU 112 Cb 0.45 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2kne n LEU 112 CO 0.46 -0.12 -0.06 0.61 -1.33 0.00 0.00 177.39 176.95 2kne n GLY 113 N 1.36 0.19 0.14 -0.72 0.00 0.81 -4.94 105.19 102.02 2kne n GLY 113 Ca 0.06 -0.69 0.07 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 -6.58 1.61 5.08 -1.66 -3.48 114.58 109.54 2kne h GLU 114 Ca -0.12 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.74 2kne h GLU 114 Cb 1.06 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.33 2kne h GLU 114 CO 0.14 0.18 -0.96 1.63 -1.00 0.00 0.00 179.01 179.01 2kne n LYS 115 N -2.94 -0.82 -2.84 2.33 4.76 -1.26 -4.91 118.16 112.49 2kne n LYS 115 Ca -0.01 0.37 -0.35 0.00 -2.87 0.00 0.00 58.31 55.44 2kne n LYS 115 Cb 0.66 -3.21 -0.07 0.00 -1.84 0.00 0.00 35.03 30.58 2kne n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kne s LEU 116 N -6.61 4.16 0.88 -0.35 1.43 -1.26 -5.08 118.68 111.85 2kne s LEU 116 Ca 0.40 1.72 -0.12 0.00 -1.03 0.00 0.00 54.13 55.10 2kne s LEU 116 Cb -0.19 -4.21 0.15 0.00 0.03 0.00 0.00 46.19 41.98 2kne s LEU 116 CO 0.91 -0.19 1.22 0.42 0.23 0.00 0.00 176.35 178.95 2kne s THR 117 N -1.86 2.04 0.19 5.49 -4.23 -1.26 -4.82 115.64 111.19 2kne s THR 117 Ca 0.55 -0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.85 2kne s THR 117 Cb -0.14 -2.95 0.11 0.00 1.34 0.00 0.00 72.50 70.86 2kne s THR 117 CO 0.19 0.00 1.80 -0.78 -0.54 0.00 0.00 174.62 175.29 2kne h ASP 118 N -1.29 0.47 -0.29 3.99 3.58 -1.99 -0.47 116.42 120.43 2kne h ASP 118 Ca -0.44 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.07 2kne h ASP 118 Cb 1.27 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 42.22 2kne h ASP 118 CO 0.46 0.31 0.09 -0.33 -2.88 0.00 0.00 179.24 176.89 2kne h GLU 119 N 0.60 0.20 -0.01 0.28 5.08 -1.99 -1.28 114.58 117.45 2kne h GLU 119 Ca 0.26 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.47 2kne h GLU 119 Cb 0.14 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2kne h GLU 119 CO -0.16 0.13 -0.64 0.93 -1.00 0.00 0.00 179.01 178.27 2kne h GLU 120 N 0.21 0.05 -0.47 2.33 4.39 -1.85 -1.39 114.58 117.85 2kne h GLU 120 Ca 0.13 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 2kne h GLU 120 Cb 0.11 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2kne h GLU 120 CO -0.15 0.68 0.09 0.28 -1.16 0.00 0.00 179.01 178.75 2kne h VAL 121 N 0.04 1.24 -0.22 3.13 2.07 -0.74 -2.43 116.25 119.34 2kne h VAL 121 Ca -0.01 -0.88 -0.12 0.00 0.82 0.00 0.00 66.70 66.50 2kne h VAL 121 Cb 1.14 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2kne h VAL 121 CO 0.09 0.31 -0.39 0.44 0.02 0.00 0.00 177.57 178.04 2kne h ASP 122 N 0.64 0.51 -0.26 0.57 3.32 -1.17 -3.22 116.42 116.82 2kne h ASP 122 Ca 0.14 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.98 2kne h ASP 122 Cb 0.37 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2kne h ASP 122 CO 0.01 0.85 0.16 -0.08 -1.72 0.00 0.00 179.24 178.46 2kne h GLU 123 N 0.41 0.32 -0.62 3.56 4.81 -0.87 -2.61 114.58 119.57 2kne h GLU 123 Ca 0.04 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 2kne h GLU 123 Cb 0.86 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.11 2kne h GLU 123 CO 0.07 0.21 0.28 0.52 -0.73 0.00 0.00 179.01 179.36 2kne h MET 124 N 0.33 0.49 -0.63 1.92 2.86 -1.46 -1.87 114.93 116.56 2kne h MET 124 Ca 0.10 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2kne h MET 124 Cb -0.02 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 2kne h MET 124 CO -0.03 0.33 0.38 0.82 1.06 0.00 0.00 176.91 179.46 2kne h ILE 125 N 0.51 1.05 -0.97 -1.22 1.08 -1.51 -2.10 117.51 114.34 2kne h ILE 125 Ca 0.30 -0.25 0.03 0.00 -0.39 0.00 0.00 64.86 64.55 2kne h ILE 125 Cb 0.30 0.25 -0.05 0.00 -3.07 0.00 0.00 36.82 34.24 2kne h ILE 125 CO -0.25 0.13 0.64 -0.09 -0.69 0.00 0.00 178.15 177.89 2kne h ARG 126 N 0.73 1.20 -0.86 2.37 2.43 -0.99 0.67 114.38 119.93 2kne h ARG 126 Ca 0.26 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 2kne h ARG 126 Cb 0.07 -0.27 -0.06 0.00 -0.42 0.00 0.00 29.97 29.29 2kne h ARG 126 CO -0.12 0.80 0.54 0.93 -1.51 0.00 0.00 179.97 180.60 2kne h GLU 127 N 1.24 1.00 0.00 0.20 5.08 -0.96 -2.89 114.58 118.25 2kne h GLU 127 Ca 0.38 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.59 2kne h GLU 127 Cb -0.02 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 2kne h GLU 127 CO -0.11 0.66 -1.26 0.00 -1.00 0.00 0.00 179.01 177.29 2kne n ALA 128 N -2.35 2.21 -2.19 3.43 0.00 -1.01 -4.76 120.51 115.85 2kne n ALA 128 Ca 0.11 -0.41 -0.31 0.00 0.00 0.00 0.00 53.44 52.83 2kne n ALA 128 Cb 0.13 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 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 -5.55 5.50 0.29 0.00 2.15 0.20 -4.75 116.67 114.50 2kne s ASP 129 Ca -0.02 -1.08 0.25 0.00 0.43 0.00 0.00 52.55 52.12 2kne s ASP 129 Cb 0.09 -2.57 1.04 0.00 -0.30 0.00 0.00 42.92 41.18 2kne s ASP 129 CO 0.81 -2.46 1.74 -0.29 -0.17 0.00 0.00 175.17 174.80 2kne h ILE 130 N 6.91 0.00 -3.70 4.11 6.09 -1.85 -3.43 117.51 125.64 2kne h ILE 130 Ca 0.16 -0.25 -0.19 0.00 -1.37 0.00 0.00 64.86 63.20 2kne h ILE 130 Cb 0.99 1.01 -0.24 0.00 0.47 0.00 0.00 36.82 39.05 2kne h ILE 130 CO 1.27 0.00 -0.64 1.51 -3.07 0.00 0.00 178.15 177.22 2kne s ASP 131 N -4.40 0.05 -0.25 2.19 -4.77 -1.26 -5.06 116.67 103.18 2kne s ASP 131 Ca 0.04 -0.14 -0.05 0.00 -3.30 0.00 0.00 52.55 49.10 2kne s ASP 131 Cb 0.09 0.13 -0.15 0.00 -1.09 0.00 0.00 42.92 41.90 2kne s ASP 131 CO 0.40 -0.17 2.48 0.61 0.70 0.00 0.00 175.17 179.19 2kne n GLY 132 N 2.29 2.55 0.07 2.12 0.00 -1.26 -4.19 105.19 106.76 2kne n GLY 132 Ca -0.18 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 3.00 0.71 0.00 1.61 5.68 -1.26 -4.95 116.55 121.34 2kne n ASP 133 Ca 0.34 -0.50 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 2kne n ASP 133 Cb 0.50 0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.78 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 1.46 0.74 3.12 6.12 0.00 -1.26 -5.00 105.19 110.38 2kne n GLY 134 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2kne n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kne s GLN 135 N -0.19 0.70 -0.29 1.61 -0.21 -1.26 -4.72 119.66 115.30 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 -0.35 -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 -2.21 5.19 0.80 1.09 1.01 -0.96 -4.89 120.40 120.42 2kne s VAL 136 Ca -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 2kne s VAL 136 Cb -0.04 -3.53 0.11 0.00 0.00 0.00 0.00 36.38 32.92 2kne s VAL 136 CO -0.01 0.18 1.13 0.21 0.00 0.00 0.00 175.10 176.61 2kne s ASN 137 N 1.73 4.25 0.24 3.32 2.47 -1.26 -1.74 114.94 123.94 2kne s ASN 137 Ca 0.07 0.38 -0.06 0.00 0.42 0.00 0.00 52.86 53.66 2kne s ASN 137 Cb -0.16 -0.80 0.23 0.00 -1.45 0.00 0.00 41.25 39.06 2kne s ASN 137 CO 0.10 -1.99 1.85 0.22 -3.72 0.00 0.00 177.10 173.56 2kne h TYR 138 N -0.96 1.21 -0.48 0.43 3.20 -1.99 -1.82 116.97 116.57 2kne h TYR 138 Ca -0.44 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.39 2kne h TYR 138 Cb 1.29 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 2kne h TYR 138 CO -0.12 0.85 0.27 1.49 -1.64 0.00 0.00 178.16 179.01 2kne h GLU 139 N 1.23 0.67 -0.58 1.82 4.57 -1.98 -1.51 114.58 118.79 2kne h GLU 139 Ca 0.31 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.35 2kne h GLU 139 Cb 0.05 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 2kne h GLU 139 CO -0.05 0.53 0.13 0.93 -1.18 0.00 0.00 179.01 179.37 2kne h GLU 140 N 0.64 0.91 -0.48 1.92 5.08 -1.80 -1.72 114.58 119.13 2kne h GLU 140 Ca 0.17 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2kne h GLU 140 Cb 0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2kne h GLU 140 CO -0.03 0.82 0.28 0.35 -1.00 0.00 0.00 179.01 179.43 2kne h PHE 141 N 0.87 0.63 -0.15 4.33 3.57 -0.89 -2.69 116.94 122.61 2kne h PHE 141 Ca 0.19 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2kne h PHE 141 Cb 0.33 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2kne h PHE 141 CO 0.02 0.45 0.03 0.28 -2.23 0.00 0.00 178.31 176.86 2kne h VAL 142 N 0.63 1.22 -0.78 1.41 2.07 -1.01 -1.87 116.25 117.91 2kne h VAL 142 Ca 0.17 -0.69 0.16 0.00 0.82 0.00 0.00 66.70 67.16 2kne h VAL 142 Cb 0.01 1.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.06 2kne h VAL 142 CO -0.03 0.21 0.29 -0.61 0.02 0.00 0.00 177.57 177.45 2kne h GLN 143 N 0.04 0.38 -0.15 1.57 4.15 -1.19 0.37 115.11 120.29 2kne h GLN 143 Ca 0.05 -0.02 -0.21 0.00 0.77 0.00 0.00 58.65 59.23 2kne h GLN 143 Cb 0.29 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 27.90 2kne h GLN 143 CO 0.00 0.25 -0.76 0.52 -1.93 0.00 0.00 178.83 176.92 2kne h MET 144 N 0.40 0.72 -0.00 1.69 2.86 -1.35 -2.99 114.93 116.26 2kne h MET 144 Ca 0.44 -0.58 -0.08 0.00 -2.06 0.00 0.00 59.70 57.42 2kne h MET 144 Cb 0.73 0.12 0.01 0.00 0.06 0.00 0.00 31.60 32.51 2kne h MET 144 CO -0.45 1.20 -0.31 0.52 1.06 0.00 0.00 176.91 178.92 2kne h MET 145 N 0.50 0.22 -1.08 1.72 2.86 -0.65 -3.27 114.93 115.23 2kne h MET 145 Ca -0.05 -0.23 -0.25 0.00 -2.06 0.00 0.00 59.70 57.11 2kne h MET 145 Cb 1.38 0.06 -0.14 0.00 0.06 0.00 0.00 31.60 32.96 2kne h MET 145 CO 0.15 0.95 0.32 0.25 1.06 0.00 0.00 176.91 179.64 2kne n THR 146 N -4.45 2.13 -2.56 2.22 -2.24 0.13 -4.83 114.28 104.68 2kne n THR 146 Ca -0.10 -1.00 -0.41 0.00 -2.27 0.00 0.00 64.05 60.27 2kne n THR 146 Cb 0.53 -0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.56 2.87 0.00 6.98 0.00 -1.13 -4.94 121.76 123.98 2kne s ALA 147 Ca 0.27 -2.44 0.00 0.00 0.00 0.00 0.00 51.96 49.79 2kne s ALA 147 Cb 0.22 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.78 2kne s ALA 147 CO 0.04 -3.55 0.00 1.17 0.00 0.00 0.00 175.76 173.43