#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kne n ASP 2 N 0.00 -5.10 0.00 0.00 8.00 -1.26 -4.80 116.55 113.39 2kne n ASP 2 Ca 0.00 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2kne n ASP 2 Cb 0.00 -4.33 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 2kne n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kne n GLN 3 N -2.78 0.00 -0.05 -1.24 10.64 -1.26 -5.02 117.38 117.66 2kne n GLN 3 Ca -0.21 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 54.96 2kne n GLN 3 Cb 0.65 0.00 -0.16 0.00 -0.86 0.00 0.00 30.24 29.87 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 -4.74 2.61 4.77 -1.26 -4.94 117.00 113.43 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 0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 2kne n LEU 4 CO 0.00 0.25 0.63 0.42 -1.33 0.00 0.00 177.39 177.36 2kne s THR 5 N -2.92 4.28 0.16 -5.08 -4.23 -1.26 -4.95 115.64 101.65 2kne s THR 5 Ca -0.09 2.02 -0.18 0.00 -1.18 0.00 0.00 61.69 62.27 2kne s THR 5 Cb 0.09 -4.30 0.07 0.00 1.34 0.00 0.00 72.50 69.71 2kne s THR 5 CO 0.82 0.43 1.67 1.05 -0.54 0.00 0.00 174.62 178.05 2kne h GLU 6 N 4.74 -0.00 -0.98 3.99 4.11 -2.02 -1.94 114.58 122.48 2kne h GLU 6 Ca -0.44 0.00 0.37 0.00 0.07 0.00 0.00 59.36 59.36 2kne h GLU 6 Cb 1.20 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.32 2kne h GLU 6 CO 0.69 -0.00 0.58 -1.91 0.07 0.00 0.00 179.01 178.44 2kne n GLU 7 N -5.29 -0.04 0.02 1.06 4.07 -1.26 0.21 120.64 119.40 2kne n GLU 7 Ca 0.01 1.09 -0.08 0.00 -0.06 0.00 0.00 57.16 58.13 2kne n GLU 7 Cb 0.20 -2.04 0.09 0.00 -0.06 0.00 0.00 31.44 29.63 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 0.49 -0.47 5.31 4.15 -1.75 -2.04 115.11 120.80 2kne h GLN 8 Ca 0.71 -0.29 0.02 0.00 0.77 0.00 0.00 58.65 59.87 2kne h GLN 8 Cb 2.09 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 29.77 2kne h GLN 8 CO -0.52 0.88 0.28 0.82 -1.93 0.00 0.00 178.83 178.37 2kne h ILE 9 N 0.39 1.05 -0.48 2.39 2.04 0.23 -1.42 117.51 121.71 2kne h ILE 9 Ca 0.02 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.77 2kne h ILE 9 Cb 1.02 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.45 2kne h ILE 9 CO 0.09 0.10 -0.03 0.00 0.00 0.00 0.00 178.15 178.31 2kne h ALA 10 N 1.21 0.41 -0.24 1.87 0.00 -1.05 0.11 119.26 121.58 2kne h ALA 10 Ca 0.19 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.27 2kne h ALA 10 Cb 0.01 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2kne h ALA 10 CO -0.08 -0.41 0.13 0.93 0.00 0.00 0.00 179.25 179.82 2kne h GLU 11 N 0.08 0.27 -0.78 0.00 5.08 -0.69 -2.85 114.58 115.69 2kne h GLU 11 Ca 0.24 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2kne h GLU 11 Cb 0.36 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2kne h GLU 11 CO -0.43 0.18 0.49 0.74 -1.00 0.00 0.00 179.01 178.99 2kne h PHE 12 N 0.28 1.01 -0.06 4.33 0.04 -0.61 -3.05 116.94 118.88 2kne h PHE 12 Ca 0.10 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.90 2kne h PHE 12 Cb 0.01 -0.34 -0.06 0.00 2.20 0.00 0.00 35.95 37.76 2kne h PHE 12 CO -0.08 0.67 -0.52 -0.22 -0.60 0.00 0.00 178.31 177.55 2kne h LYS 13 N 1.07 -0.60 -0.91 1.51 3.64 -0.75 -0.32 116.57 120.21 2kne h LYS 13 Ca 0.28 0.04 0.23 0.00 -1.27 0.00 0.00 60.65 59.93 2kne h LYS 13 Cb -0.07 0.14 -0.13 0.00 -0.41 0.00 0.00 32.23 31.76 2kne h LYS 13 CO -0.06 -0.40 0.40 0.93 -2.27 0.00 0.00 179.45 178.06 2kne h GLU 14 N -0.62 0.38 -0.96 1.90 5.08 -1.50 0.18 114.58 119.04 2kne h GLU 14 Ca 0.03 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 2kne h GLU 14 Cb 0.70 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 2kne h GLU 14 CO -0.39 0.25 0.61 0.00 -1.00 0.00 0.00 179.01 178.48 2kne h ALA 15 N 1.72 1.56 -0.88 3.43 0.00 -1.02 -2.52 119.26 121.55 2kne h ALA 15 Ca 0.57 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.55 2kne h ALA 15 Cb 1.11 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2kne h ALA 15 CO -0.54 0.24 0.55 0.74 0.00 0.00 0.00 179.25 180.23 2kne h PHE 16 N 0.98 1.01 0.00 0.00 -1.00 -0.10 -0.18 116.94 117.65 2kne h PHE 16 Ca 0.45 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.26 2kne h PHE 16 Cb 0.41 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.65 2kne h PHE 16 CO -0.00 0.50 0.00 0.43 -1.61 0.00 0.00 178.31 177.63 2kne n SER 17 N -4.62 0.45 -0.18 2.17 7.64 -0.95 -2.32 113.62 115.81 2kne n SER 17 Ca 0.13 0.65 -0.08 0.00 1.01 0.00 0.00 58.87 60.58 2kne n SER 17 Cb 0.19 -0.73 0.01 0.00 -1.01 0.00 0.00 64.21 62.67 2kne n SER 17 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kne h LEU 18 N 0.00 0.72 0.00 -3.43 5.85 -1.07 -3.29 115.31 114.10 2kne h LEU 18 Ca 0.00 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2kne h LEU 18 Cb 0.17 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2kne h LEU 18 CO 0.00 0.71 -0.98 2.22 -0.34 0.00 0.00 178.44 180.04 2kne n PHE 19 N -4.52 0.00 -2.36 1.25 1.16 -1.14 -4.86 117.46 106.98 2kne n PHE 19 Ca 0.02 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.23 2kne n PHE 19 Cb 0.17 -0.11 -0.03 0.00 -1.61 0.00 0.00 39.48 37.90 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 -2.76 5.91 0.05 5.98 1.01 -0.98 -4.83 116.67 121.05 2kne s ASP 20 Ca 0.02 -0.75 -0.20 0.00 0.71 0.00 0.00 52.55 52.33 2kne s ASP 20 Cb 0.10 -2.56 -0.13 0.00 1.01 0.00 0.00 42.92 41.34 2kne s ASP 20 CO 0.59 -2.01 1.40 0.11 0.21 0.00 0.00 175.17 175.47 2kne h LYS 21 N 11.01 0.33 -0.59 8.23 1.57 -1.89 -3.26 116.57 131.97 2kne h LYS 21 Ca -0.01 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2kne h LYS 21 Cb 1.04 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2kne h LYS 21 CO 1.31 0.65 0.00 -0.40 -0.57 0.00 0.00 179.45 180.44 2kne n ASP 22 N -4.63 4.39 -4.01 0.86 5.75 -1.26 -4.97 116.55 112.67 2kne n ASP 22 Ca -0.06 -2.40 -0.26 0.00 -0.01 0.00 0.00 54.79 52.06 2kne n ASP 22 Cb 0.30 -0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 39.78 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 0.95 -0.11 0.17 6.12 0.00 -1.23 -4.78 105.19 106.31 2kne n GLY 23 Ca 0.24 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.54 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 -2.34 0.71 0.00 1.61 5.68 -1.26 -4.91 116.55 116.04 2kne n ASP 24 Ca -0.26 -0.69 0.00 0.00 -0.50 0.00 0.00 54.79 53.34 2kne n ASP 24 Cb 0.57 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 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 1.31 0.90 3.05 6.12 0.00 -1.26 -5.03 105.19 110.28 2kne n GLY 25 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.90 0.42 -0.20 2.61 -4.23 -1.26 -4.75 115.64 105.34 2kne s THR 26 Ca 0.00 -1.16 -0.17 0.00 -1.18 0.00 0.00 61.69 59.18 2kne s THR 26 Cb 0.00 -0.68 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 2kne s THR 26 CO 0.00 -0.50 0.44 -0.63 -0.54 0.00 0.00 174.62 173.39 2kne s ILE 27 N -1.78 5.17 0.34 2.99 1.09 -0.90 -4.95 121.20 123.16 2kne s ILE 27 Ca -0.08 0.80 0.09 0.00 -1.10 0.00 0.00 60.65 60.35 2kne s ILE 27 Cb -0.07 -3.77 -0.05 0.00 -1.06 0.00 0.00 42.46 37.51 2kne s ILE 27 CO -0.01 0.23 0.07 0.42 -0.10 0.00 0.00 174.94 175.55 2kne s THR 28 N 1.37 2.79 0.38 2.92 -4.23 -1.26 -2.60 115.64 115.01 2kne s THR 28 Ca 0.21 -1.85 0.06 0.00 -1.18 0.00 0.00 61.69 58.93 2kne s THR 28 Cb -0.15 -2.88 0.28 0.00 1.34 0.00 0.00 72.50 71.09 2kne s THR 28 CO 0.09 -0.19 2.01 0.71 -0.54 0.00 0.00 174.62 176.69 2kne h THR 29 N 1.69 1.07 0.78 3.99 1.35 -1.93 -1.80 112.91 118.06 2kne h THR 29 Ca -0.43 -0.24 -0.04 0.00 -0.55 0.00 0.00 66.41 65.15 2kne h THR 29 Cb 1.25 0.32 0.01 0.00 -1.73 0.00 0.00 68.15 68.00 2kne h THR 29 CO 0.65 0.13 -0.37 0.11 -0.25 0.00 0.00 175.52 175.79 2kne h LYS 30 N 0.69 -1.00 0.00 4.72 1.57 -1.98 -2.44 116.57 118.12 2kne h LYS 30 Ca 0.24 0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 2kne h LYS 30 Cb 0.09 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2kne h LYS 30 CO -0.06 -0.67 -0.10 1.05 -0.57 0.00 0.00 179.45 179.10 2kne h GLU 31 N -1.09 0.00 0.67 3.15 4.11 -1.89 -2.19 114.58 117.34 2kne h GLU 31 Ca -0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.29 2kne h GLU 31 Cb 0.80 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.06 2kne h GLU 31 CO 0.17 0.10 -0.32 1.25 0.07 0.00 0.00 179.01 180.28 2kne h LEU 32 N 0.00 -0.76 -1.09 3.06 5.85 -1.22 -2.85 115.31 118.30 2kne h LEU 32 Ca -0.00 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.77 2kne h LEU 32 Cb 0.18 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 2kne h LEU 32 CO 0.01 -0.53 0.62 1.23 -0.34 0.00 0.00 178.44 179.43 2kne h GLY 33 N -0.93 1.36 0.83 3.75 0.00 -1.18 -2.62 103.07 104.27 2kne h GLY 33 Ca -0.09 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 2kne h GLY 33 CO 0.15 0.40 -0.24 -0.84 0.00 0.00 0.00 176.54 176.00 2kne h THR 34 N 1.17 0.49 -0.45 4.70 2.02 -1.31 -1.10 112.91 118.43 2kne h THR 34 Ca 0.37 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.61 2kne h THR 34 Cb 0.02 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 2kne h THR 34 CO -0.12 0.00 0.15 0.58 0.37 0.00 0.00 175.52 176.51 2kne h VAL 35 N -0.58 0.84 -0.91 3.16 2.07 -1.25 -1.48 116.25 118.10 2kne h VAL 35 Ca -0.03 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.42 2kne h VAL 35 Cb 0.50 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 2kne h VAL 35 CO 0.01 0.06 0.59 -0.03 0.02 0.00 0.00 177.57 178.22 2kne h MET 36 N 0.32 1.11 -1.00 1.57 -1.53 -1.31 -1.33 114.93 112.76 2kne h MET 36 Ca 0.21 -0.07 0.17 0.00 -3.44 0.00 0.00 59.70 56.58 2kne h MET 36 Cb 0.22 -0.25 -0.10 0.00 -0.55 0.00 0.00 31.60 30.92 2kne h MET 36 CO -0.23 0.73 0.61 -0.09 0.14 0.00 0.00 176.91 178.08 2kne h ARG 37 N 1.14 0.79 0.00 0.39 2.43 -0.15 0.92 114.38 119.91 2kne h ARG 37 Ca 0.36 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2kne h ARG 37 Cb 0.01 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2kne h ARG 37 CO -0.12 0.52 -0.01 1.03 -1.51 0.00 0.00 179.97 179.88 2kne h SER 38 N 0.82 0.00 0.15 -3.80 0.87 -0.79 0.28 113.55 111.08 2kne h SER 38 Ca 0.56 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.12 2kne h SER 38 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2kne h SER 38 CO -0.36 0.01 0.00 -0.11 -0.53 0.00 0.00 176.83 175.85 2kne n LEU 39 N -3.18 0.00 0.00 2.23 7.94 0.32 -4.83 117.00 119.48 2kne n LEU 39 Ca -0.02 0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 2kne n LEU 39 Cb 0.16 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2kne n LEU 39 CO 0.24 -0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 2kne n GLY 40 N 0.43 0.68 3.78 -3.96 0.00 0.09 -5.07 105.19 101.15 2kne n GLY 40 Ca 0.14 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.67 2.82 -0.70 1.61 -0.21 -1.23 -5.06 119.66 116.22 2kne s GLN 41 Ca 0.00 -0.97 0.04 0.00 0.02 0.00 0.00 55.36 54.45 2kne s GLN 41 Cb 0.00 -2.57 0.31 0.00 1.00 0.00 0.00 33.01 31.75 2kne s GLN 41 CO 0.00 0.45 1.06 -1.71 -2.12 0.00 0.00 175.29 172.98 2kne n ASN 42 N -0.56 4.86 -4.76 5.90 2.85 -1.26 -4.36 115.26 117.93 2kne n ASN 42 Ca -0.08 -3.61 -0.39 0.00 -0.11 0.00 0.00 54.58 50.39 2kne n ASN 42 Cb 0.56 -0.73 0.02 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 -3.29 3.61 0.74 1.20 0.04 -1.26 -5.01 135.00 131.03 2kne s PRO 43 Ca 0.44 2.22 -0.11 0.00 0.04 0.00 0.00 61.00 63.59 2kne s PRO 43 Cb 0.22 -2.54 0.04 0.00 0.04 0.00 0.00 34.50 32.25 2kne s PRO 43 CO -0.08 -0.81 1.11 0.95 0.04 0.00 0.00 177.00 178.21 2kne s THR 44 N -1.29 2.93 0.20 1.26 -4.23 -1.26 -4.95 115.64 108.31 2kne s THR 44 Ca 0.63 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 61.30 2kne s THR 44 Cb -0.39 -3.29 0.11 0.00 1.34 0.00 0.00 72.50 70.27 2kne s THR 44 CO 0.49 -0.38 1.81 -0.08 -0.54 0.00 0.00 174.62 175.92 2kne h GLU 45 N -0.77 0.62 -0.18 3.99 4.22 -2.03 -1.18 114.58 119.25 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 1.28 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2kne h GLU 45 CO 0.64 0.41 0.28 0.00 -2.18 0.00 0.00 179.01 178.17 2kne h ALA 46 N 1.30 1.70 -0.60 2.92 0.00 -2.01 -0.13 119.26 122.44 2kne h ALA 46 Ca 0.26 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 2kne h ALA 46 Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2kne h ALA 46 CO -0.15 -0.38 0.01 1.49 0.00 0.00 0.00 179.25 180.22 2kne h GLU 47 N 0.00 1.03 -0.81 0.00 4.57 -1.58 -1.63 114.58 116.17 2kne h GLU 47 Ca 0.09 -0.31 0.06 0.00 -1.18 0.00 0.00 59.36 58.02 2kne h GLU 47 Cb 0.65 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.08 2kne h GLU 47 CO -0.00 1.00 0.49 -0.07 -1.18 0.00 0.00 179.01 179.25 2kne h LEU 48 N 0.95 0.75 0.33 1.64 4.07 -1.10 -1.64 115.31 120.31 2kne h LEU 48 Ca 0.17 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.14 2kne h LEU 48 Cb 0.53 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.14 2kne h LEU 48 CO 0.03 0.48 -0.16 -0.61 -1.08 0.00 0.00 178.44 177.10 2kne h GLN 49 N 0.88 -0.42 -0.35 1.13 4.15 -1.52 -2.61 115.11 116.38 2kne h GLN 49 Ca 0.36 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.87 2kne h GLN 49 Cb 0.20 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 2kne h GLN 49 CO -0.18 -0.12 0.02 -0.44 -1.93 0.00 0.00 178.83 176.18 2kne h ASP 50 N -0.99 -0.09 0.05 -0.69 3.32 -1.26 -1.03 116.42 115.73 2kne h ASP 50 Ca -0.04 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2kne h ASP 50 Cb 0.50 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2kne h ASP 50 CO 0.07 -0.01 -0.02 0.24 -1.72 0.00 0.00 179.24 177.80 2kne h MET 51 N 0.13 -0.06 -0.35 3.56 2.86 -1.42 -2.90 114.93 116.74 2kne h MET 51 Ca 0.17 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2kne h MET 51 Cb 0.22 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 2kne h MET 51 CO -0.26 0.23 0.17 0.82 1.06 0.00 0.00 176.91 178.93 2kne h ILE 52 N -0.35 0.98 -0.69 -1.22 1.08 -1.37 -2.31 117.51 113.64 2kne h ILE 52 Ca -0.01 -0.12 0.11 0.00 -0.39 0.00 0.00 64.86 64.45 2kne h ILE 52 Cb 0.31 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 34.61 2kne h ILE 52 CO 0.01 0.07 0.46 0.78 -0.69 0.00 0.00 178.15 178.78 2kne h ASN 53 N 0.36 0.44 -0.59 1.72 2.35 -1.19 0.23 115.58 118.90 2kne h ASN 53 Ca 0.15 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 2kne h ASN 53 Cb 0.06 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2kne h ASN 53 CO -0.10 0.26 -0.01 -0.08 -1.65 0.00 0.00 177.43 175.84 2kne h GLU 54 N 0.49 1.07 0.00 0.81 4.81 -1.20 -3.08 114.58 117.47 2kne h GLU 54 Ca 0.33 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2kne h GLU 54 Cb 0.61 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 2kne h GLU 54 CO -0.10 1.05 -0.73 0.28 -0.73 0.00 0.00 179.01 178.77 2kne h VAL 55 N 0.97 0.01 -0.93 0.32 2.07 -1.30 -3.44 116.25 113.95 2kne h VAL 55 Ca 0.17 -1.02 -0.57 0.00 0.82 0.00 0.00 66.70 66.10 2kne h VAL 55 Cb 0.57 1.65 -0.08 0.00 -1.52 0.00 0.00 31.29 31.91 2kne h VAL 55 CO 0.03 0.01 1.64 -0.62 0.02 0.00 0.00 177.57 178.65 2kne s ASP 56 N -5.61 6.36 0.28 0.57 2.15 0.01 -4.83 116.67 115.60 2kne s ASP 56 Ca 0.02 -1.75 -0.03 0.00 0.43 0.00 0.00 52.55 51.22 2kne s ASP 56 Cb 0.08 -2.57 0.39 0.00 -0.30 0.00 0.00 42.92 40.52 2kne s ASP 56 CO 0.76 -1.65 1.91 0.00 -0.17 0.00 0.00 175.17 176.03 2kne h ALA 57 N 9.15 1.32 -0.01 3.66 0.00 -1.85 -2.69 119.26 128.84 2kne h ALA 57 Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2kne h ALA 57 Cb 0.95 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2kne h ALA 57 CO 1.40 0.56 -0.08 -0.40 0.00 0.00 0.00 179.25 180.73 2kne n ASP 58 N -4.36 0.83 -1.76 0.00 5.75 -1.26 -4.92 116.55 110.82 2kne n ASP 58 Ca 0.08 -1.00 -0.20 0.00 -0.01 0.00 0.00 54.79 53.66 2kne n ASP 58 Cb 0.09 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.12 2kne n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 59 N 1.21 1.13 0.39 6.12 0.00 -1.01 -4.85 105.19 108.18 2kne n GLY 59 Ca 0.17 -0.06 0.12 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 -1.39 1.18 0.00 1.61 6.94 -1.26 -4.91 115.26 117.44 2kne n ASN 60 Ca -0.21 -1.54 0.00 0.00 -0.02 0.00 0.00 54.58 52.81 2kne n ASN 60 Cb 0.66 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 2kne n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kne n GLY 61 N 1.07 0.83 3.43 4.83 0.00 -1.26 -5.01 105.19 109.09 2kne n GLY 61 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 2kne n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kne s THR 62 N -3.24 0.02 -0.15 2.61 -4.23 -1.26 -4.71 115.64 104.67 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 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.67 2kne s THR 62 CO 0.00 -0.09 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.27 2kne s ILE 63 N -4.03 3.28 0.32 2.99 1.01 -1.07 -4.82 121.20 118.88 2kne s ILE 63 Ca 0.24 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.37 2kne s ILE 63 Cb 0.02 -2.41 0.05 0.00 0.01 0.00 0.00 42.46 40.13 2kne s ILE 63 CO 0.07 0.50 0.38 -0.67 0.00 0.00 0.00 174.94 175.22 2kne n ASP 64 N 3.72 1.49 0.24 3.58 2.03 -1.26 -2.11 116.55 124.24 2kne n ASP 64 Ca -0.18 -1.95 -0.16 0.00 0.52 0.00 0.00 54.79 53.02 2kne n ASP 64 Cb 0.52 -0.16 -0.08 0.00 -0.72 0.00 0.00 41.12 40.68 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 0.25 -0.98 -0.51 -0.67 3.04 -2.00 -1.70 116.94 114.38 2kne h PHE 65 Ca -0.17 0.00 0.10 0.00 3.98 0.00 0.00 57.97 61.89 2kne h PHE 65 Cb 0.71 0.38 -0.09 0.00 2.56 0.00 0.00 35.95 39.51 2kne h PHE 65 CO 0.00 -0.51 -0.09 -1.00 -2.02 0.00 0.00 178.31 174.69 2kne h PRO 66 N -0.77 0.03 0.00 6.41 0.13 -2.01 0.58 132.00 136.37 2kne h PRO 66 Ca -0.03 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2kne h PRO 66 Cb 0.68 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2kne h PRO 66 CO -0.05 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 178.67 2kne h GLU 67 N 0.03 0.00 0.20 0.86 5.08 -1.92 -2.79 114.58 116.04 2kne h GLU 67 Ca 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2kne h GLU 67 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2kne h GLU 67 CO -0.50 0.00 -0.10 0.35 -1.00 0.00 0.00 179.01 177.77 2kne h PHE 68 N 0.00 -0.25 -0.58 4.33 3.57 0.11 -3.34 116.94 120.78 2kne h PHE 68 Ca 0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2kne h PHE 68 Cb 0.10 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 2kne h PHE 68 CO 0.00 -0.06 0.28 -0.07 -2.23 0.00 0.00 178.31 176.23 2kne h LEU 69 N -1.05 0.38 -0.79 0.59 3.38 -1.13 -2.30 115.31 114.39 2kne h LEU 69 Ca -0.03 0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.14 2kne h LEU 69 Cb 0.30 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 40.88 2kne h LEU 69 CO 0.04 0.25 -0.21 0.74 0.09 0.00 0.00 178.44 179.35 2kne h THR 70 N 0.52 0.20 -0.38 0.22 2.02 -1.66 0.20 112.91 114.03 2kne h THR 70 Ca 0.27 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.39 2kne h THR 70 Cb 0.22 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2kne h THR 70 CO -0.21 0.00 0.01 0.24 0.37 0.00 0.00 175.52 175.93 2kne h MET 71 N -0.01 0.66 -0.82 6.66 2.86 -1.54 -2.96 114.93 119.79 2kne h MET 71 Ca 0.37 -0.21 0.06 0.00 -2.06 0.00 0.00 59.70 57.87 2kne h MET 71 Cb 0.58 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 2kne h MET 71 CO -0.82 0.76 0.54 0.52 1.06 0.00 0.00 176.91 178.97 2kne h MET 72 N 0.49 0.88 -0.18 1.72 2.07 -0.65 0.56 114.93 119.82 2kne h MET 72 Ca 0.11 -0.05 -0.15 0.00 -2.07 0.00 0.00 59.70 57.54 2kne h MET 72 Cb 0.45 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 29.97 2kne h MET 72 CO 0.02 0.58 -0.50 0.00 1.07 0.00 0.00 176.91 178.08 2kne h ALA 73 N 1.55 0.80 0.00 6.32 0.00 -1.12 -3.22 119.26 123.59 2kne h ALA 73 Ca 0.35 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kne h ALA 73 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kne h ALA 73 CO -0.13 0.67 -1.19 -2.13 0.00 0.00 0.00 179.25 176.48 2kne n ARG 74 N -3.97 0.45 -1.61 0.00 0.63 -0.89 -4.59 116.66 106.69 2kne n ARG 74 Ca -0.02 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.49 2kne n ARG 74 Cb 0.57 -1.65 -0.01 0.00 0.45 0.00 0.00 32.46 31.82 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 2.91 -0.39 -0.14 3.00 0.19 -4.44 118.16 117.05 2kne n LYS 75 Ca 0.00 -2.47 0.08 0.00 -0.00 0.00 0.00 58.31 55.92 2kne n LYS 75 Cb 0.50 -3.17 0.24 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 5.69 3.11 -1.64 1.64 2.81 -1.26 -4.94 117.12 122.52 2kne n MET 76 Ca 0.56 -2.58 -0.47 0.00 -1.81 0.00 0.00 57.70 53.41 2kne n MET 76 Cb 0.36 -1.66 -0.04 0.00 -0.71 0.00 0.00 33.22 31.17 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 0.18 1.80 -4.32 0.03 4.81 -1.26 -4.99 118.16 114.40 2kne n LYS 77 Ca 0.19 0.64 -0.19 0.00 -0.87 0.00 0.00 58.31 58.09 2kne n LYS 77 Cb 0.73 -2.33 -0.14 0.00 0.02 0.00 0.00 35.03 33.32 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 0.57 1.31 0.00 3.14 2.15 -1.26 -5.02 116.67 117.56 2kne s ASP 78 Ca 0.77 -0.35 0.00 0.00 0.43 0.00 0.00 52.55 53.40 2kne s ASP 78 Cb -0.75 -0.09 0.00 0.00 -0.30 0.00 0.00 42.92 41.78 2kne s ASP 78 CO 0.44 0.03 0.00 0.35 -0.17 0.00 0.00 175.17 175.83 2kne n THR 79 N 2.23 0.00 0.00 1.71 -2.24 -1.26 -5.15 114.28 109.58 2kne n THR 79 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2kne n THR 79 Cb 0.56 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 2kne n THR 79 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kne n ASP 80 N -2.49 0.00 0.21 3.42 8.00 -1.26 -4.84 116.55 119.58 2kne n ASP 80 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2kne n ASP 80 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 2kne n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2kne n SER 81 N 0.00 0.00 -0.06 -2.24 7.64 -1.26 0.49 113.62 118.19 2kne n SER 81 Ca 0.00 0.32 -0.08 0.00 1.01 0.00 0.00 58.87 60.11 2kne n SER 81 Cb 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.72 -1.09 1.43 4.39 -2.00 -3.09 114.58 114.94 2kne h GLU 82 Ca 0.00 -0.32 0.30 0.00 0.34 0.00 0.00 59.36 59.68 2kne h GLU 82 Cb 1.51 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 30.05 2kne h GLU 82 CO 0.00 0.93 0.70 1.49 -1.16 0.00 0.00 179.01 180.97 2kne h GLU 83 N 0.61 0.31 0.00 2.33 4.81 -0.29 0.36 114.58 122.72 2kne h GLU 83 Ca 0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2kne h GLU 83 Cb 0.81 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2kne h GLU 83 CO 0.07 0.21 -0.80 1.49 -0.73 0.00 0.00 179.01 179.24 2kne h GLU 84 N 0.32 0.00 0.00 1.92 4.57 -1.74 -3.30 114.58 116.36 2kne h GLU 84 Ca 0.63 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.81 2kne h GLU 84 Cb 1.72 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.31 2kne h GLU 84 CO -0.31 0.00 0.00 -0.89 -1.18 0.00 0.00 179.01 176.63 2kne n ILE 85 N -2.31 0.00 -0.28 2.32 2.08 0.13 -1.30 119.36 120.01 2kne n ILE 85 Ca 0.02 1.22 -0.05 0.00 0.56 0.00 0.00 62.75 64.50 2kne n ILE 85 Cb 0.48 -2.20 0.06 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 1.06 -0.87 0.38 3.08 -1.77 -2.93 114.38 113.32 2kne h ARG 86 Ca 0.00 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 2kne h ARG 86 Cb 0.00 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.80 2kne h ARG 86 CO 0.00 0.79 0.54 0.93 -1.07 0.00 0.00 179.97 181.16 2kne h GLU 87 N 1.05 1.17 0.00 0.04 5.08 -1.67 -1.26 114.58 119.00 2kne h GLU 87 Ca 0.27 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2kne h GLU 87 Cb 0.03 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.03 2kne h GLU 87 CO -0.04 0.81 0.00 0.00 -1.00 0.00 0.00 179.01 178.78 2kne h ALA 88 N 1.30 1.00 0.05 3.43 0.00 -1.00 -2.55 119.26 121.48 2kne h ALA 88 Ca 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kne h ALA 88 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2kne h ALA 88 CO -0.06 0.00 -0.02 0.35 0.00 0.00 0.00 179.25 179.52 2kne h PHE 89 N 0.00 -0.06 -0.84 0.00 3.57 -1.22 -2.92 116.94 115.48 2kne h PHE 89 Ca 0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 2kne h PHE 89 Cb 0.07 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.75 2kne h PHE 89 CO 0.00 0.51 0.48 -0.09 -2.23 0.00 0.00 178.31 176.98 2kne h ARG 90 N -0.69 0.77 -0.43 1.11 2.43 -1.46 0.31 114.38 116.42 2kne h ARG 90 Ca -0.01 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 2kne h ARG 90 Cb 0.60 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2kne h ARG 90 CO 0.01 0.51 0.09 0.28 -1.51 0.00 0.00 179.97 179.34 2kne h VAL 91 N 0.79 1.24 -0.36 0.20 2.07 -1.62 -3.02 116.25 115.55 2kne h VAL 91 Ca 0.41 -0.85 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 2kne h VAL 91 Cb 0.39 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2kne h VAL 91 CO -0.26 0.30 -0.32 -0.26 0.02 0.00 0.00 177.57 177.05 2kne h PHE 92 N 0.56 0.92 -2.39 1.57 -1.00 -1.14 -3.31 116.94 112.15 2kne h PHE 92 Ca 0.13 -0.25 -0.73 0.00 2.81 0.00 0.00 57.97 59.94 2kne h PHE 92 Cb 0.35 -0.21 -0.19 0.00 3.61 0.00 0.00 35.95 39.52 2kne h PHE 92 CO 0.02 1.00 1.10 0.34 -1.61 0.00 0.00 178.31 179.16 2kne s ASP 93 N -6.80 6.95 0.15 2.17 -1.08 0.10 -4.67 116.67 113.49 2kne s ASP 93 Ca -0.09 -2.75 -0.15 0.00 -0.52 0.00 0.00 52.55 49.04 2kne s ASP 93 Cb 0.12 -2.38 0.03 0.00 -1.46 0.00 0.00 42.92 39.24 2kne s ASP 93 CO 0.85 -0.80 1.75 0.11 0.52 0.00 0.00 175.17 177.60 2kne h LYS 94 N 7.63 0.67 -0.18 4.34 1.57 -1.67 -2.78 116.57 126.15 2kne h LYS 94 Ca 0.25 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2kne h LYS 94 Cb 0.92 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2kne h LYS 94 CO 1.17 0.54 0.00 -0.40 -0.57 0.00 0.00 179.45 180.19 2kne n ASP 95 N -4.66 1.81 -3.85 0.86 5.68 -1.26 -4.94 116.55 110.19 2kne n ASP 95 Ca 0.02 -1.73 -0.24 0.00 -0.50 0.00 0.00 54.79 52.33 2kne n ASP 95 Cb 0.09 -0.11 0.01 0.00 -1.14 0.00 0.00 41.12 39.97 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 1.16 -0.28 0.70 6.12 0.00 -1.05 -4.85 105.19 106.99 2kne n GLY 96 Ca 0.16 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.99 2.08 0.00 1.61 6.94 -1.26 -4.90 115.26 116.74 2kne n ASN 97 Ca -0.26 -1.84 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 2kne n ASN 97 Cb 0.66 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 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 1.19 0.92 3.04 4.83 0.00 -1.26 -5.01 105.19 108.89 2kne n GLY 98 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.67 0.51 -0.34 1.61 2.02 -1.26 -4.47 117.35 111.75 2kne s TYR 99 Ca 0.00 -0.61 -0.17 0.00 -0.37 0.00 0.00 57.07 55.93 2kne s TYR 99 Cb 0.00 -0.33 -0.01 0.00 -0.40 0.00 0.00 41.96 41.22 2kne s TYR 99 CO 0.00 -0.16 0.45 0.42 -1.57 0.00 0.00 175.55 174.69 2kne s ILE 100 N -1.87 5.08 0.30 2.71 1.01 -0.60 -4.70 121.20 123.14 2kne s ILE 100 Ca -0.09 0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.74 2kne s ILE 100 Cb -0.07 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 2kne s ILE 100 CO -0.02 -0.15 0.58 -0.94 0.00 0.00 0.00 174.94 174.41 2kne s SER 101 N 1.74 6.46 0.15 3.58 1.04 -1.26 -2.42 113.70 122.99 2kne s SER 101 Ca 0.16 0.77 -0.17 0.00 0.48 0.00 0.00 55.95 57.18 2kne s SER 101 Cb -0.16 -2.17 0.03 0.00 0.10 0.00 0.00 66.02 63.83 2kne s SER 101 CO 0.12 -0.22 1.74 0.00 0.98 0.00 0.00 173.24 175.87 2kne h ALA 102 N 1.65 0.33 -0.92 5.32 0.00 -1.97 -1.64 119.26 122.02 2kne h ALA 102 Ca -0.48 0.05 0.17 0.00 0.00 0.00 0.00 54.91 54.65 2kne h ALA 102 Cb 1.19 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 2kne h ALA 102 CO 0.66 -0.32 0.51 0.00 0.00 0.00 0.00 179.25 180.10 2kne h ALA 103 N 1.21 1.46 -0.57 0.00 0.00 -1.99 0.37 119.26 119.73 2kne h ALA 103 Ca 0.14 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2kne h ALA 103 Cb 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2kne h ALA 103 CO -0.16 -0.08 0.05 0.93 0.00 0.00 0.00 179.25 179.98 2kne h GLU 104 N 0.68 0.98 -0.26 0.00 5.08 -1.68 -3.14 114.58 116.24 2kne h GLU 104 Ca 0.52 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2kne h GLU 104 Cb 0.78 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2kne h GLU 104 CO -0.38 0.95 0.09 1.25 -1.00 0.00 0.00 179.01 179.92 2kne h LEU 105 N 0.87 0.37 -1.40 1.33 5.85 -0.10 -2.96 115.31 119.26 2kne h LEU 105 Ca 0.17 -0.18 0.38 0.00 0.84 0.00 0.00 57.88 59.09 2kne h LEU 105 Cb 0.48 -0.10 -0.12 0.00 0.37 0.00 0.00 40.66 41.30 2kne h LEU 105 CO 0.02 0.45 0.79 0.03 -0.34 0.00 0.00 178.44 179.39 2kne h ARG 106 N 0.26 0.17 0.00 1.25 3.08 -1.11 1.64 114.38 119.67 2kne h ARG 106 Ca 0.09 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 2kne h ARG 106 Cb 0.20 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2kne h ARG 106 CO -0.01 0.11 -0.23 1.25 -1.07 0.00 0.00 179.97 180.03 2kne h HIS 107 N 0.17 0.00 -0.72 3.04 2.76 -1.59 -2.94 115.15 115.87 2kne h HIS 107 Ca 0.75 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.96 2kne h HIS 107 Cb 2.25 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 31.16 2kne h HIS 107 CO -0.00 0.23 0.44 0.28 -1.30 0.00 0.00 177.93 177.58 2kne h VAL 108 N 0.00 1.07 -0.63 5.26 2.07 0.23 -2.68 116.25 121.57 2kne h VAL 108 Ca -0.00 -0.29 0.13 0.00 0.82 0.00 0.00 66.70 67.35 2kne h VAL 108 Cb 0.52 0.14 -0.10 0.00 -1.52 0.00 0.00 31.29 30.33 2kne h VAL 108 CO 0.03 0.16 0.08 0.24 0.02 0.00 0.00 177.57 178.09 2kne h MET 109 N 0.86 0.19 -0.86 1.57 2.07 -1.57 -1.08 114.93 116.10 2kne h MET 109 Ca 0.30 -0.01 0.04 0.00 -2.07 0.00 0.00 59.70 57.96 2kne h MET 109 Cb 0.06 -0.04 -0.06 0.00 -1.87 0.00 0.00 31.60 29.69 2kne h MET 109 CO -0.13 0.12 0.55 1.15 1.07 0.00 0.00 176.91 179.67 2kne h THR 110 N 0.19 1.10 -0.51 2.22 2.02 -1.62 0.46 112.91 116.77 2kne h THR 110 Ca 0.34 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 2kne h THR 110 Cb 0.55 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2kne h THR 110 CO -0.48 0.19 0.01 0.78 0.37 0.00 0.00 175.52 176.38 2kne h ASN 111 N 1.04 0.88 1.43 4.18 2.35 -1.16 -2.96 115.58 121.33 2kne h ASN 111 Ca 0.35 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2kne h ASN 111 Cb 0.07 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.20 2kne h ASN 111 CO -0.14 0.96 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.42 2kne h LEU 112 N 0.76 0.00 0.89 1.61 3.38 -0.66 -3.48 115.31 117.82 2kne h LEU 112 Ca 0.14 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2kne h LEU 112 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2kne h LEU 112 CO 0.02 0.02 -0.17 0.61 0.09 0.00 0.00 178.44 179.01 2kne n GLY 113 N 1.29 0.11 0.12 0.83 0.00 0.16 -4.94 105.19 102.76 2kne n GLY 113 Ca 0.05 -0.61 0.03 0.00 0.00 0.00 0.00 46.02 45.49 2kne n GLY 113 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kne h GLU 114 N -0.01 0.00 -6.55 1.61 4.57 -1.70 -3.48 114.58 109.01 2kne h GLU 114 Ca -0.15 0.00 -0.51 0.00 -1.18 0.00 0.00 59.36 57.52 2kne h GLU 114 Cb 1.11 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 29.74 2kne h GLU 114 CO 0.18 0.30 -0.97 1.63 -1.18 0.00 0.00 179.01 178.96 2kne n LYS 115 N -2.98 -0.76 -2.77 1.92 5.02 -1.26 -4.91 118.16 112.42 2kne n LYS 115 Ca -0.03 0.28 -0.34 0.00 -2.02 0.00 0.00 58.31 56.20 2kne n LYS 115 Cb 0.74 -3.38 -0.06 0.00 -0.02 0.00 0.00 35.03 32.31 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 -6.92 4.04 0.86 -0.35 1.43 -1.26 -5.07 118.68 111.41 2kne s LEU 116 Ca 0.48 1.77 -0.12 0.00 -1.03 0.00 0.00 54.13 55.24 2kne s LEU 116 Cb -0.22 -4.39 0.14 0.00 0.03 0.00 0.00 46.19 41.75 2kne s LEU 116 CO 0.91 -0.34 1.20 0.42 0.23 0.00 0.00 176.35 178.78 2kne s THR 117 N -1.99 2.06 0.18 5.49 -4.23 -1.26 -4.86 115.64 111.02 2kne s THR 117 Ca 0.59 -0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.87 2kne s THR 117 Cb -0.13 -2.95 0.08 0.00 1.34 0.00 0.00 72.50 70.84 2kne s THR 117 CO 0.17 0.00 1.80 -0.78 -0.54 0.00 0.00 174.62 175.27 2kne h ASP 118 N -1.21 0.43 -0.16 3.99 1.82 -1.99 -1.28 116.42 118.02 2kne h ASP 118 Ca -0.44 0.02 0.03 0.00 -0.39 0.00 0.00 57.03 56.25 2kne h ASP 118 Cb 1.27 -0.07 -0.03 0.00 0.68 0.00 0.00 39.33 41.19 2kne h ASP 118 CO 0.49 0.30 -0.04 -0.33 -1.61 0.00 0.00 179.24 178.05 2kne h GLU 119 N 0.55 0.01 0.00 0.28 5.08 -2.00 -1.83 114.58 116.67 2kne h GLU 119 Ca 0.22 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 2kne h GLU 119 Cb 0.08 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2kne h GLU 119 CO -0.13 0.00 -0.41 0.93 -1.00 0.00 0.00 179.01 178.41 2kne h GLU 120 N 0.01 0.00 -0.65 2.33 5.08 -1.87 -1.83 114.58 117.64 2kne h GLU 120 Ca 0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2kne h GLU 120 Cb 0.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2kne h GLU 120 CO -0.16 0.41 0.22 0.28 -1.00 0.00 0.00 179.01 178.76 2kne h VAL 121 N 0.00 1.25 -0.41 3.13 2.07 -0.76 -2.16 116.25 119.36 2kne h VAL 121 Ca -0.00 -0.83 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 2kne h VAL 121 Cb 0.74 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2kne h VAL 121 CO 0.05 0.32 -0.13 0.44 0.02 0.00 0.00 177.57 178.27 2kne h ASP 122 N 0.94 0.74 0.30 0.57 3.32 -0.99 -2.98 116.42 118.32 2kne h ASP 122 Ca 0.21 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2kne h ASP 122 Cb 0.27 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2kne h ASP 122 CO -0.01 0.89 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.90 2kne h GLU 123 N 0.67 -0.43 -0.65 3.56 5.08 -0.73 -1.90 114.58 120.19 2kne h GLU 123 Ca 0.11 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 2kne h GLU 123 Cb 0.61 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 2kne h GLU 123 CO 0.04 -0.28 0.32 0.52 -1.00 0.00 0.00 179.01 178.60 2kne h MET 124 N -0.44 0.55 -0.58 2.33 2.86 -1.46 -1.82 114.93 116.37 2kne h MET 124 Ca -0.03 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2kne h MET 124 Cb 0.36 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 2kne h MET 124 CO 0.05 0.36 0.38 0.82 1.06 0.00 0.00 176.91 179.58 2kne h ILE 125 N 0.57 1.12 -0.86 -1.22 2.04 -1.35 -2.23 117.51 115.57 2kne h ILE 125 Ca 0.31 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.92 2kne h ILE 125 Cb 0.28 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 2kne h ILE 125 CO -0.24 0.14 0.57 -0.09 0.00 0.00 0.00 178.15 178.53 2kne h ARG 126 N 0.76 1.14 -0.85 2.37 2.43 -0.54 0.13 114.38 119.81 2kne h ARG 126 Ca 0.22 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 2kne h ARG 126 Cb -0.05 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 29.19 2kne h ARG 126 CO -0.07 0.76 0.54 0.93 -1.51 0.00 0.00 179.97 180.62 2kne h GLU 127 N 1.17 0.99 0.00 0.20 5.08 -0.77 -2.83 114.58 118.43 2kne h GLU 127 Ca 0.32 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 2kne h GLU 127 Cb -0.13 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.88 2kne h GLU 127 CO -0.07 0.66 -1.17 0.00 -1.00 0.00 0.00 179.01 177.43 2kne n ALA 128 N -2.35 2.31 -2.25 3.43 0.00 -1.05 -4.75 120.51 115.86 2kne n ALA 128 Ca 0.11 -0.35 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 2kne n ALA 128 Cb 0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 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 -5.50 5.68 0.32 0.00 2.15 0.01 -4.76 116.67 114.57 2kne s ASP 129 Ca -0.02 -1.21 0.26 0.00 0.43 0.00 0.00 52.55 52.01 2kne s ASP 129 Cb 0.09 -2.57 1.09 0.00 -0.30 0.00 0.00 42.92 41.23 2kne s ASP 129 CO 0.80 -2.29 1.77 -0.29 -0.17 0.00 0.00 175.17 174.99 2kne h ILE 130 N 6.82 0.00 -3.64 4.11 6.09 -1.85 -3.43 117.51 125.61 2kne h ILE 130 Ca 0.18 -0.27 -0.18 0.00 -1.37 0.00 0.00 64.86 63.22 2kne h ILE 130 Cb 0.98 1.04 -0.24 0.00 0.47 0.00 0.00 36.82 39.08 2kne h ILE 130 CO 1.30 0.00 -0.60 1.51 -3.07 0.00 0.00 178.15 177.29 2kne s ASP 131 N -4.52 0.03 -0.27 2.19 -4.77 -1.26 -5.06 116.67 103.01 2kne s ASP 131 Ca 0.03 -0.11 -0.04 0.00 -3.30 0.00 0.00 52.55 49.13 2kne s ASP 131 Cb 0.09 0.17 -0.14 0.00 -1.09 0.00 0.00 42.92 41.95 2kne s ASP 131 CO 0.41 -0.20 2.41 0.61 0.70 0.00 0.00 175.17 179.10 2kne n GLY 132 N 2.21 2.52 0.04 2.12 0.00 -1.26 -4.19 105.19 106.63 2kne n GLY 132 Ca -0.18 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.15 2kne n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kne n ASP 133 N 3.05 0.63 0.00 1.61 5.75 -1.26 -4.95 116.55 121.38 2kne n ASP 133 Ca 0.33 -0.41 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 2kne n ASP 133 Cb 0.47 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.85 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 1.48 0.77 3.14 6.12 0.00 -1.26 -5.00 105.19 110.44 2kne n GLY 134 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.18 0.74 -0.30 1.61 -0.21 -1.26 -4.76 119.66 115.30 2kne s GLN 135 Ca 0.00 -1.06 -0.11 0.00 0.02 0.00 0.00 55.36 54.20 2kne s GLN 135 Cb 0.00 -0.39 -0.04 0.00 1.00 0.00 0.00 33.01 33.58 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 -2.33 5.24 0.80 1.09 1.01 -1.01 -4.90 120.40 120.30 2kne s VAL 136 Ca 0.02 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 2kne s VAL 136 Cb -0.04 -3.56 0.12 0.00 0.00 0.00 0.00 36.38 32.91 2kne s VAL 136 CO -0.01 0.17 1.13 0.20 0.00 0.00 0.00 175.10 176.59 2kne s ASN 137 N 1.74 4.15 0.25 3.32 -0.87 -1.26 -1.55 114.94 120.70 2kne s ASN 137 Ca 0.07 0.30 -0.06 0.00 -1.57 0.00 0.00 52.86 51.60 2kne s ASN 137 Cb -0.16 -0.69 0.26 0.00 -0.02 0.00 0.00 41.25 40.64 2kne s ASN 137 CO 0.10 -2.05 1.86 0.22 -2.57 0.00 0.00 177.10 174.66 2kne h TYR 138 N -0.99 1.17 -0.42 2.20 3.20 -1.99 -1.48 116.97 118.67 2kne h TYR 138 Ca -0.43 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.38 2kne h TYR 138 Cb 1.28 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 2kne h TYR 138 CO -0.24 0.82 0.16 1.49 -1.64 0.00 0.00 178.16 178.76 2kne h GLU 139 N 1.19 0.63 -0.61 1.82 4.81 -1.97 -1.69 114.58 118.76 2kne h GLU 139 Ca 0.30 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2kne h GLU 139 Cb 0.05 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2kne h GLU 139 CO -0.04 0.59 0.10 0.93 -0.73 0.00 0.00 179.01 179.85 2kne h GLU 140 N 0.54 0.99 -0.52 1.92 5.08 -1.79 -1.78 114.58 119.02 2kne h GLU 140 Ca 0.14 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2kne h GLU 140 Cb 0.20 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2kne h GLU 140 CO -0.01 0.92 0.32 0.35 -1.00 0.00 0.00 179.01 179.59 2kne h PHE 141 N 0.93 0.67 -0.20 4.33 3.57 -1.02 -2.87 116.94 122.35 2kne h PHE 141 Ca 0.19 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2kne h PHE 141 Cb 0.41 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2kne h PHE 141 CO 0.03 0.46 0.03 0.28 -2.23 0.00 0.00 178.31 176.88 2kne h VAL 142 N 0.70 1.22 -0.79 1.41 2.07 -1.08 -1.93 116.25 117.86 2kne h VAL 142 Ca 0.19 -0.74 0.17 0.00 0.82 0.00 0.00 66.70 67.14 2kne h VAL 142 Cb -0.03 1.32 -0.11 0.00 -1.52 0.00 0.00 31.29 30.95 2kne h VAL 142 CO -0.04 0.23 0.27 -0.61 0.02 0.00 0.00 177.57 177.44 2kne h GLN 143 N 0.13 0.34 -0.03 1.57 4.15 -1.18 0.37 115.11 120.47 2kne h GLN 143 Ca 0.06 -0.02 -0.25 0.00 0.77 0.00 0.00 58.65 59.21 2kne h GLN 143 Cb 0.32 -0.08 0.02 0.00 0.21 0.00 0.00 27.48 27.95 2kne h GLN 143 CO 0.00 0.23 -0.98 0.52 -1.93 0.00 0.00 178.83 176.67 2kne h MET 144 N 0.35 0.68 -0.02 1.69 2.86 -1.39 -3.07 114.93 116.03 2kne h MET 144 Ca 0.46 -0.69 -0.05 0.00 -2.06 0.00 0.00 59.70 57.36 2kne h MET 144 Cb 0.79 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.64 2kne h MET 144 CO -0.49 1.28 -0.17 0.52 1.06 0.00 0.00 176.91 179.11 2kne h MET 145 N 0.40 0.15 -1.19 1.72 2.86 -0.70 -3.25 114.93 114.92 2kne h MET 145 Ca -0.11 -0.14 -0.27 0.00 -2.06 0.00 0.00 59.70 57.13 2kne h MET 145 Cb 1.63 0.03 -0.14 0.00 0.06 0.00 0.00 31.60 33.18 2kne h MET 145 CO 0.19 0.83 0.34 0.25 1.06 0.00 0.00 176.91 179.58 2kne n THR 146 N -4.58 2.28 -2.52 2.22 -2.24 0.12 -4.83 114.28 104.74 2kne n THR 146 Ca -0.09 -1.15 -0.41 0.00 -2.27 0.00 0.00 64.05 60.14 2kne n THR 146 Cb 0.44 -0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 67.69 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 -1.62 2.86 0.00 6.98 0.00 -1.16 -4.94 121.76 123.89 2kne s ALA 147 Ca 0.28 -2.48 0.00 0.00 0.00 0.00 0.00 51.96 49.76 2kne s ALA 147 Cb 0.23 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.76 2kne s ALA 147 CO 0.03 -3.62 0.00 1.17 0.00 0.00 0.00 175.76 173.34