#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 0.00 -4.68 0.00 8.00 -1.26 -4.63 116.55 113.98 2kne n ASP 2 Ca 0.00 0.45 -0.23 0.00 0.71 0.00 0.00 54.79 55.72 2kne n ASP 2 Cb 0.00 -0.04 0.11 0.00 -0.02 0.00 0.00 41.12 41.17 2kne n ASP 2 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kne s GLN 3 N -1.21 1.61 0.00 -1.24 -0.21 -1.26 -4.97 119.66 112.39 2kne s GLN 3 Ca 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 55.36 54.10 2kne s GLN 3 Cb 0.00 -2.36 0.00 0.00 1.00 0.00 0.00 33.01 31.65 2kne s GLN 3 CO 0.00 -1.49 0.00 -0.11 -2.12 0.00 0.00 175.29 171.57 2kne n LEU 4 N -2.82 0.00 -4.75 2.90 7.94 -1.26 -5.14 117.00 113.86 2kne n LEU 4 Ca 0.17 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.66 2kne n LEU 4 Cb 0.61 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.51 2kne n LEU 4 CO 0.41 0.00 0.75 0.42 -1.11 0.00 0.00 177.39 177.86 2kne s THR 5 N 0.00 3.72 0.21 1.96 -4.23 -1.26 -4.93 115.64 111.11 2kne s THR 5 Ca 0.00 1.70 -0.11 0.00 -1.18 0.00 0.00 61.69 62.10 2kne s THR 5 Cb 0.00 -4.08 0.17 0.00 1.34 0.00 0.00 72.50 69.93 2kne s THR 5 CO 0.00 0.39 1.68 1.05 -0.54 0.00 0.00 174.62 177.20 2kne h GLU 6 N 4.09 0.16 -1.08 3.99 9.09 -2.01 -1.28 114.58 127.54 2kne h GLU 6 Ca -0.46 -0.01 0.41 0.00 0.05 0.00 0.00 59.36 59.36 2kne h GLU 6 Cb 1.21 -0.04 -0.15 0.00 -1.65 0.00 0.00 28.75 28.12 2kne h GLU 6 CO 0.68 0.10 0.64 -1.91 0.05 0.00 0.00 179.01 178.57 2kne n GLU 7 N -5.22 -0.05 -0.12 1.06 2.13 -1.26 0.18 120.64 117.37 2kne n GLU 7 Ca 0.08 1.23 -0.11 0.00 0.66 0.00 0.00 57.16 59.02 2kne n GLU 7 Cb 0.32 -2.30 0.02 0.00 0.27 0.00 0.00 31.44 29.75 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 0.90 -0.44 5.31 5.75 -1.62 -0.79 115.11 124.24 2kne h GLN 8 Ca 0.80 -0.42 0.02 0.00 -0.15 0.00 0.00 58.65 58.90 2kne h GLN 8 Cb 2.32 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 30.83 2kne h GLN 8 CO -0.59 1.07 0.26 0.82 -2.65 0.00 0.00 178.83 177.73 2kne h ILE 9 N 0.77 1.05 -0.33 2.39 2.04 0.18 -0.68 117.51 122.92 2kne h ILE 9 Ca 0.09 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 65.84 2kne h ILE 9 Cb 0.86 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 37.35 2kne h ILE 9 CO 0.08 0.09 -0.12 0.00 0.00 0.00 0.00 178.15 178.20 2kne h ALA 10 N 1.19 0.16 -0.17 1.87 0.00 -0.78 0.14 119.26 121.67 2kne h ALA 10 Ca 0.17 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2kne h ALA 10 Cb 0.01 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2kne h ALA 10 CO -0.08 -0.50 0.11 0.93 0.00 0.00 0.00 179.25 179.71 2kne h GLU 11 N -0.06 0.22 -0.80 0.00 5.08 -0.59 -2.90 114.58 115.53 2kne h GLU 11 Ca 0.17 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2kne h GLU 11 Cb 0.31 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2kne h GLU 11 CO -0.37 0.15 0.38 0.74 -1.00 0.00 0.00 179.01 178.90 2kne h PHE 12 N 0.23 1.16 -0.10 4.33 -1.00 -0.74 -3.05 116.94 117.77 2kne h PHE 12 Ca 0.06 -0.06 0.04 0.00 2.81 0.00 0.00 57.97 60.82 2kne h PHE 12 Cb -0.03 -0.36 -0.06 0.00 3.61 0.00 0.00 35.95 39.11 2kne h PHE 12 CO -0.07 0.85 -0.39 -0.22 -1.61 0.00 0.00 178.31 176.87 2kne h LYS 13 N 1.14 -0.47 -0.90 1.51 3.64 -0.54 -0.16 116.57 120.79 2kne h LYS 13 Ca 0.27 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.86 2kne h LYS 13 Cb 0.13 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 31.95 2kne h LYS 13 CO -0.03 -0.31 0.47 0.93 -2.27 0.00 0.00 179.45 178.24 2kne h GLU 14 N -0.49 0.59 -0.88 1.90 5.08 -1.46 0.25 114.58 119.58 2kne h GLU 14 Ca 0.07 -0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.54 2kne h GLU 14 Cb 0.61 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 2kne h GLU 14 CO -0.36 0.39 0.57 0.00 -1.00 0.00 0.00 179.01 178.60 2kne h ALA 15 N 1.62 1.85 -0.92 3.43 0.00 -0.96 -2.16 119.26 122.11 2kne h ALA 15 Ca 0.52 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.48 2kne h ALA 15 Cb 0.82 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2kne h ALA 15 CO -0.41 -0.08 0.60 0.74 0.00 0.00 0.00 179.25 180.10 2kne h PHE 16 N 0.68 1.10 0.00 0.00 -1.00 -0.45 -1.49 116.94 115.78 2kne h PHE 16 Ca 0.44 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.25 2kne h PHE 16 Cb 0.71 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 39.90 2kne h PHE 16 CO -0.00 0.62 0.00 0.66 -1.61 0.00 0.00 178.31 177.98 2kne h SER 17 N 1.13 0.00 -0.60 2.17 4.64 -1.46 -2.47 113.55 116.95 2kne h SER 17 Ca 0.37 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.61 2kne h SER 17 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2kne h SER 17 CO -0.12 0.00 0.06 -0.07 -0.87 0.00 0.00 176.83 175.83 2kne h LEU 18 N 0.00 0.99 0.00 5.97 -0.00 -1.34 -3.29 115.31 117.63 2kne h LEU 18 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 2kne h LEU 18 Cb 0.21 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2kne h LEU 18 CO 0.00 1.02 -1.15 2.22 -0.00 0.00 0.00 178.44 180.54 2kne n PHE 19 N -4.26 0.00 -2.16 1.13 1.16 -1.15 -4.86 117.46 107.32 2kne n PHE 19 Ca 0.03 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.28 2kne n PHE 19 Cb 0.30 -0.16 -0.04 0.00 -1.61 0.00 0.00 39.48 37.98 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 -2.99 5.46 0.00 5.98 1.01 -0.94 -4.81 116.67 120.37 2kne s ASP 20 Ca 0.00 -0.53 -0.25 0.00 0.71 0.00 0.00 52.55 52.49 2kne s ASP 20 Cb 0.10 -2.55 -0.18 0.00 1.01 0.00 0.00 42.92 41.29 2kne s ASP 20 CO 0.61 -2.39 1.35 0.50 0.21 0.00 0.00 175.17 175.45 2kne h LYS 21 N 11.87 0.05 -0.58 8.23 3.64 -1.89 -3.28 116.57 134.62 2kne h LYS 21 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2kne h LYS 21 Cb 1.05 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2kne h LYS 21 CO 1.25 0.44 0.00 -0.40 -2.27 0.00 0.00 179.45 178.48 2kne n ASP 22 N -4.85 4.69 -3.76 4.20 5.75 -1.26 -4.96 116.55 116.36 2kne n ASP 22 Ca -0.08 -2.54 -0.28 0.00 -0.01 0.00 0.00 54.79 51.88 2kne n ASP 22 Cb 0.23 -0.57 -0.06 0.00 -1.03 0.00 0.00 41.12 39.69 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 0.84 -0.21 0.16 6.12 0.00 -1.24 -4.74 105.19 106.13 2kne n GLY 23 Ca 0.25 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.75 0.60 0.00 1.61 5.75 -1.26 -4.90 116.55 116.60 2kne n ASP 24 Ca -0.04 -0.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.99 2kne n ASP 24 Cb 0.40 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 1.25 0.89 3.05 6.12 0.00 -1.26 -5.03 105.19 110.21 2kne n GLY 25 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 2kne n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kne s THR 26 N -2.94 0.38 -0.20 2.61 -4.23 -1.26 -4.78 115.64 105.23 2kne s THR 26 Ca 0.00 -1.24 -0.18 0.00 -1.18 0.00 0.00 61.69 59.09 2kne s THR 26 Cb 0.00 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 73.04 2kne s THR 26 CO 0.00 -0.57 0.49 -0.63 -0.54 0.00 0.00 174.62 173.37 2kne s ILE 27 N -2.05 5.13 0.32 2.99 1.09 -0.92 -4.92 121.20 122.85 2kne s ILE 27 Ca -0.07 0.90 0.09 0.00 -1.10 0.00 0.00 60.65 60.47 2kne s ILE 27 Cb -0.06 -3.82 -0.05 0.00 -1.06 0.00 0.00 42.46 37.48 2kne s ILE 27 CO -0.02 0.20 0.05 0.42 -0.10 0.00 0.00 174.94 175.49 2kne s THR 28 N 1.51 2.92 0.38 2.92 -4.23 -1.26 -2.71 115.64 115.17 2kne s THR 28 Ca 0.23 -1.87 0.07 0.00 -1.18 0.00 0.00 61.69 58.94 2kne s THR 28 Cb -0.15 -2.86 0.29 0.00 1.34 0.00 0.00 72.50 71.12 2kne s THR 28 CO 0.09 -0.23 1.99 0.71 -0.54 0.00 0.00 174.62 176.64 2kne h THR 29 N 1.74 1.04 0.95 3.99 1.35 -1.92 -1.96 112.91 118.09 2kne h THR 29 Ca -0.43 -0.23 -0.05 0.00 -0.55 0.00 0.00 66.41 65.15 2kne h THR 29 Cb 1.25 0.29 0.01 0.00 -1.73 0.00 0.00 68.15 67.97 2kne h THR 29 CO 0.64 0.12 -0.45 0.11 -0.25 0.00 0.00 175.52 175.69 2kne h LYS 30 N 0.68 -1.22 -0.01 4.72 1.79 -1.98 -2.40 116.57 118.15 2kne h LYS 30 Ca 0.27 0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.80 2kne h LYS 30 Cb 0.19 0.28 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2kne h LYS 30 CO -0.08 -0.82 -0.12 1.05 -1.08 0.00 0.00 179.45 178.41 2kne h GLU 31 N -1.30 0.01 0.53 3.15 4.11 -1.89 -2.12 114.58 117.06 2kne h GLU 31 Ca -0.13 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 2kne h GLU 31 Cb 0.97 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.23 2kne h GLU 31 CO 0.21 0.13 -0.26 1.25 0.07 0.00 0.00 179.01 180.41 2kne h LEU 32 N 0.01 -0.61 -1.03 3.06 5.85 -1.22 -2.88 115.31 118.49 2kne h LEU 32 Ca 0.00 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2kne h LEU 32 Cb 0.21 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 2kne h LEU 32 CO 0.02 -0.40 0.65 1.23 -0.34 0.00 0.00 178.44 179.60 2kne h GLY 33 N -0.77 1.44 0.84 3.75 0.00 -1.18 -2.64 103.07 104.51 2kne h GLY 33 Ca -0.07 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 2kne h GLY 33 CO 0.12 0.43 -0.26 -0.84 0.00 0.00 0.00 176.54 175.99 2kne h THR 34 N 1.25 0.46 -0.46 4.70 2.02 -1.31 -1.21 112.91 118.36 2kne h THR 34 Ca 0.39 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.63 2kne h THR 34 Cb -0.00 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 66.81 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 -0.63 0.87 -1.00 3.16 2.07 -1.28 -1.55 116.25 117.89 2kne h VAL 35 Ca -0.04 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.40 2kne h VAL 35 Cb 0.53 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 2kne h VAL 35 CO 0.02 0.06 0.66 -0.03 0.02 0.00 0.00 177.57 178.31 2kne h MET 36 N 0.36 1.24 -0.98 1.57 -1.53 -1.31 -1.22 114.93 113.06 2kne h MET 36 Ca 0.22 -0.07 0.19 0.00 -3.44 0.00 0.00 59.70 56.59 2kne h MET 36 Cb 0.20 -0.28 -0.09 0.00 -0.55 0.00 0.00 31.60 30.88 2kne h MET 36 CO -0.21 0.82 0.61 -0.09 0.14 0.00 0.00 176.91 178.18 2kne h ARG 37 N 1.28 0.65 0.00 0.39 2.43 -0.19 0.94 114.38 119.88 2kne h ARG 37 Ca 0.40 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 2kne h ARG 37 Cb -0.00 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2kne h ARG 37 CO -0.12 0.43 0.00 1.03 -1.51 0.00 0.00 179.97 179.80 2kne h SER 38 N 0.67 0.00 0.00 -3.80 0.87 -0.92 0.45 113.55 110.82 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 -0.31 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 175.88 2kne n LEU 39 N -3.07 0.00 0.00 2.23 7.94 0.32 -4.79 117.00 119.64 2kne n LEU 39 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 2kne n LEU 39 Cb 0.13 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.08 2kne n LEU 39 CO 0.22 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.11 2kne n GLY 40 N 0.37 0.69 3.39 -3.96 0.00 0.14 -5.07 105.19 100.75 2kne n GLY 40 Ca 0.15 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 2kne n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kne s GLN 41 N -2.54 1.55 -0.50 1.61 -0.21 -1.18 -5.10 119.66 113.29 2kne s GLN 41 Ca 0.00 -1.84 0.05 0.00 0.02 0.00 0.00 55.36 53.59 2kne s GLN 41 Cb 0.00 -0.64 0.19 0.00 1.00 0.00 0.00 33.01 33.56 2kne s GLN 41 CO 0.00 -0.22 0.45 0.27 -2.12 0.00 0.00 175.29 173.67 2kne n ASN 42 N -0.59 0.88 -4.75 5.90 6.94 -1.26 -4.31 115.26 118.07 2kne n ASN 42 Ca -0.02 -2.73 -0.37 0.00 -0.02 0.00 0.00 54.58 51.43 2kne n ASN 42 Cb 0.66 -0.63 0.05 0.00 -2.36 0.00 0.00 39.78 37.50 2kne n ASN 42 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 2kne s PRO 43 N -0.77 2.96 0.77 -0.53 0.02 -1.26 -5.01 135.00 131.18 2kne s PRO 43 Ca 0.32 2.09 -0.12 0.00 0.02 0.00 0.00 61.00 63.32 2kne s PRO 43 Cb 0.05 -2.08 0.05 0.00 0.02 0.00 0.00 34.50 32.54 2kne s PRO 43 CO -0.16 -1.29 1.10 0.95 -0.33 0.00 0.00 177.00 177.28 2kne s THR 44 N -1.39 3.09 0.18 0.99 -4.23 -1.26 -4.94 115.64 108.08 2kne s THR 44 Ca 0.76 0.35 -0.13 0.00 -1.18 0.00 0.00 61.69 61.49 2kne s THR 44 Cb -0.37 -3.21 0.08 0.00 1.34 0.00 0.00 72.50 70.34 2kne s THR 44 CO 0.42 -0.46 1.82 1.05 -0.54 0.00 0.00 174.62 176.91 2kne h GLU 45 N -0.95 0.63 -0.18 3.99 4.11 -2.03 -1.57 114.58 118.58 2kne h GLU 45 Ca -0.46 -0.04 0.05 0.00 0.07 0.00 0.00 59.36 58.98 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 0.61 0.41 0.26 0.00 0.07 0.00 0.00 179.01 180.36 2kne h ALA 46 N 1.24 1.71 -0.63 1.06 0.00 -2.01 -0.69 119.26 119.93 2kne h ALA 46 Ca 0.22 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2kne h ALA 46 Cb 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2kne h ALA 46 CO -0.09 -0.35 0.04 1.49 0.00 0.00 0.00 179.25 180.34 2kne h GLU 47 N 0.00 1.08 -0.89 0.00 4.57 -1.64 -1.67 114.58 116.03 2kne h GLU 47 Ca 0.08 -0.32 0.08 0.00 -1.18 0.00 0.00 59.36 58.03 2kne h GLU 47 Cb 0.60 -0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.01 2kne h GLU 47 CO -0.00 1.03 0.54 -0.07 -1.18 0.00 0.00 179.01 179.33 2kne h LEU 48 N 1.00 0.82 0.27 1.64 4.07 -1.20 -1.53 115.31 120.39 2kne h LEU 48 Ca 0.19 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.16 2kne h LEU 48 Cb 0.51 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.12 2kne h LEU 48 CO 0.02 0.50 -0.13 -0.61 -1.08 0.00 0.00 178.44 177.14 2kne h GLN 49 N 0.94 -0.35 -0.19 1.13 5.75 -1.52 -2.81 115.11 118.06 2kne h GLN 49 Ca 0.41 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.97 2kne h GLN 49 Cb 0.28 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.87 2kne h GLN 49 CO -0.21 -0.03 -0.07 0.22 -2.65 0.00 0.00 178.83 176.10 2kne h ASP 50 N -0.95 -0.24 0.17 -0.69 1.82 -1.23 -0.97 116.42 114.33 2kne h ASP 50 Ca -0.04 0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 2kne h ASP 50 Cb 0.49 0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.65 2kne h ASP 50 CO 0.06 -0.09 -0.08 0.24 -1.61 0.00 0.00 179.24 177.75 2kne h MET 51 N -0.04 -0.23 -0.36 0.28 2.86 -1.42 -2.78 114.93 113.25 2kne h MET 51 Ca 0.10 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.78 2kne h MET 51 Cb 0.18 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 2kne h MET 51 CO -0.22 -0.01 0.18 0.82 1.06 0.00 0.00 176.91 178.75 2kne h ILE 52 N -0.41 0.99 -0.66 -1.22 1.08 -1.45 -2.36 117.51 113.48 2kne h ILE 52 Ca -0.02 -0.13 0.11 0.00 -0.39 0.00 0.00 64.86 64.42 2kne h ILE 52 Cb 0.32 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.60 2kne h ILE 52 CO 0.04 0.07 0.44 0.78 -0.69 0.00 0.00 178.15 178.79 2kne h ASN 53 N 0.38 0.42 -0.58 1.72 2.35 -1.15 0.28 115.58 119.00 2kne h ASN 53 Ca 0.15 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 2kne h ASN 53 Cb 0.06 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2kne h ASN 53 CO -0.10 0.24 -0.05 -0.08 -1.65 0.00 0.00 177.43 175.79 2kne h GLU 54 N 0.46 1.06 0.00 0.81 4.57 -1.13 -3.08 114.58 117.28 2kne h GLU 54 Ca 0.31 -0.37 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2kne h GLU 54 Cb 0.59 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2kne h GLU 54 CO -0.09 1.07 -0.68 0.28 -1.18 0.00 0.00 179.01 178.40 2kne h VAL 55 N 0.95 0.01 -0.92 0.32 2.07 -1.32 -3.43 116.25 113.92 2kne h VAL 55 Ca 0.16 -1.01 -0.60 0.00 0.82 0.00 0.00 66.70 66.07 2kne h VAL 55 Cb 0.62 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 31.98 2kne h VAL 55 CO 0.04 0.00 1.74 -0.62 0.02 0.00 0.00 177.57 178.76 2kne s ASP 56 N -5.64 6.46 0.30 0.57 2.15 0.03 -4.83 116.67 115.70 2kne s ASP 56 Ca 0.02 -1.87 -0.02 0.00 0.43 0.00 0.00 52.55 51.11 2kne s ASP 56 Cb 0.08 -2.58 0.44 0.00 -0.30 0.00 0.00 42.92 40.57 2kne s ASP 56 CO 0.75 -1.55 1.93 0.00 -0.17 0.00 0.00 175.17 176.14 2kne h ALA 57 N 8.87 1.36 -0.01 3.66 0.00 -1.85 -2.59 119.26 128.71 2kne h ALA 57 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2kne h ALA 57 Cb 0.94 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kne h ALA 57 CO 1.41 0.54 -0.08 -0.40 0.00 0.00 0.00 179.25 180.73 2kne n ASP 58 N -4.38 0.78 -1.80 0.00 5.75 -1.26 -4.92 116.55 110.71 2kne n ASP 58 Ca 0.08 -0.98 -0.20 0.00 -0.01 0.00 0.00 54.79 53.67 2kne n ASP 58 Cb 0.08 -0.01 -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 1.20 1.20 0.38 6.12 0.00 -0.98 -4.85 105.19 108.27 2kne n GLY 59 Ca 0.17 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 1.14 0.00 1.61 6.94 -1.26 -4.90 115.26 117.29 2kne n ASN 60 Ca -0.22 -1.59 0.00 0.00 -0.02 0.00 0.00 54.58 52.75 2kne n ASN 60 Cb 0.68 -0.06 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 1.03 0.85 3.42 4.83 0.00 -1.26 -5.00 105.19 109.06 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 -3.34 0.03 -0.15 2.61 -4.23 -1.26 -4.74 115.64 104.56 2kne s THR 62 Ca 0.00 -1.49 -0.02 0.00 -1.18 0.00 0.00 61.69 59.01 2kne s THR 62 Cb 0.00 -2.09 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 2kne s THR 62 CO 0.00 -0.12 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.24 2kne s ILE 63 N -4.02 3.35 0.38 2.99 1.01 -1.10 -4.82 121.20 119.00 2kne s ILE 63 Ca 0.23 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.39 2kne s ILE 63 Cb 0.02 -2.45 0.05 0.00 0.01 0.00 0.00 42.46 40.10 2kne s ILE 63 CO 0.06 0.50 0.45 0.47 0.00 0.00 0.00 174.94 176.42 2kne n ASP 64 N 3.73 1.63 -0.13 3.58 8.00 -1.26 -2.16 116.55 129.94 2kne n ASP 64 Ca -0.18 -2.09 -0.05 0.00 0.71 0.00 0.00 54.79 53.18 2kne n ASP 64 Cb 0.52 -0.20 0.03 0.00 -0.02 0.00 0.00 41.12 41.45 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 0.23 0.34 0.05 1.24 3.04 -1.99 -1.42 116.94 118.44 2kne h PHE 65 Ca -0.20 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.79 2kne h PHE 65 Cb 0.83 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.23 2kne h PHE 65 CO 0.00 0.16 -0.12 -1.35 -2.02 0.00 0.00 178.31 174.98 2kne h PRO 66 N 0.38 -0.22 0.00 6.41 0.11 -2.00 -0.82 132.00 135.85 2kne h PRO 66 Ca 0.19 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 2kne h PRO 66 Cb 0.13 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 2kne h PRO 66 CO -0.16 -0.15 -0.01 0.93 -0.21 0.00 0.00 178.00 178.40 2kne h GLU 67 N -0.23 0.00 0.26 1.05 5.08 -1.91 -2.76 114.58 116.06 2kne h GLU 67 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2kne h GLU 67 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2kne h GLU 67 CO -0.08 0.01 -0.12 0.35 -1.00 0.00 0.00 179.01 178.17 2kne h PHE 68 N 0.00 -0.32 -0.62 4.33 3.57 -0.06 -3.33 116.94 120.51 2kne h PHE 68 Ca -0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 2kne h PHE 68 Cb 0.12 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 2kne h PHE 68 CO 0.00 -0.19 0.28 1.25 -2.23 0.00 0.00 178.31 177.42 2kne h LEU 69 N -1.09 0.34 -0.74 0.59 5.85 -1.05 -2.30 115.31 116.90 2kne h LEU 69 Ca -0.04 0.06 0.15 0.00 0.84 0.00 0.00 57.88 58.89 2kne h LEU 69 Cb 0.27 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.17 2kne h LEU 69 CO 0.06 0.21 -0.21 0.74 -0.34 0.00 0.00 178.44 178.90 2kne h THR 70 N 0.50 0.23 -0.38 1.05 2.02 -1.64 -0.89 112.91 113.79 2kne h THR 70 Ca 0.30 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.43 2kne h THR 70 Cb 0.31 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2kne h THR 70 CO -0.26 0.00 0.05 0.24 0.37 0.00 0.00 175.52 175.92 2kne h MET 71 N -0.02 0.63 -0.82 6.66 2.86 -1.53 -2.98 114.93 119.74 2kne h MET 71 Ca 0.35 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2kne h MET 71 Cb 0.55 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 2kne h MET 71 CO -0.77 0.70 0.50 0.52 1.06 0.00 0.00 176.91 178.92 2kne h MET 72 N 0.47 1.11 -0.28 1.72 2.07 -0.98 0.53 114.93 119.57 2kne h MET 72 Ca 0.11 -0.10 -0.07 0.00 -2.07 0.00 0.00 59.70 57.58 2kne h MET 72 Cb 0.39 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.87 2kne h MET 72 CO 0.01 0.78 -0.11 0.00 1.07 0.00 0.00 176.91 178.66 2kne h ALA 73 N 1.27 1.29 0.00 6.32 0.00 -1.22 -2.87 119.26 124.06 2kne h ALA 73 Ca 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kne h ALA 73 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2kne h ALA 73 CO -0.06 0.47 -1.20 -2.13 0.00 0.00 0.00 179.25 176.34 2kne n ARG 74 N -4.22 0.57 -1.58 0.00 0.63 -1.01 -4.54 116.66 106.50 2kne n ARG 74 Ca 0.01 0.04 -0.41 0.00 -0.92 0.00 0.00 57.85 56.57 2kne n ARG 74 Cb 0.30 -1.74 -0.01 0.00 0.45 0.00 0.00 32.46 31.47 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 -2.50 2.98 -0.42 -0.14 3.00 0.18 -4.44 118.16 116.83 2kne n LYS 75 Ca -0.01 -2.45 0.08 0.00 -0.00 0.00 0.00 58.31 55.94 2kne n LYS 75 Cb 0.54 -3.14 0.26 0.00 0.00 0.00 0.00 35.03 32.69 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 5.50 3.20 -1.58 1.64 2.81 -1.26 -4.92 117.12 122.51 2kne n MET 76 Ca 0.58 -2.61 -0.49 0.00 -1.81 0.00 0.00 57.70 53.37 2kne n MET 76 Cb 0.35 -1.68 -0.04 0.00 -0.71 0.00 0.00 33.22 31.13 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 0.30 1.15 -3.00 0.03 4.81 -1.26 -4.90 118.16 115.30 2kne n LYS 77 Ca 0.20 0.41 -0.43 0.00 -0.87 0.00 0.00 58.31 57.61 2kne n LYS 77 Cb 0.75 -1.92 -0.05 0.00 0.02 0.00 0.00 35.03 33.82 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 0.05 6.34 -0.26 3.14 1.01 -1.26 -5.02 116.67 120.67 2kne s ASP 78 Ca 0.75 -0.39 -0.17 0.00 0.71 0.00 0.00 52.55 53.45 2kne s ASP 78 Cb -0.87 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 40.66 2kne s ASP 78 CO 0.52 -0.97 0.45 -0.89 0.21 0.00 0.00 175.17 174.48 2kne s THR 79 N 3.25 5.12 -0.30 -1.27 2.01 -1.26 -5.02 115.64 118.18 2kne s THR 79 Ca 0.26 0.74 -0.29 0.00 0.31 0.00 0.00 61.69 62.71 2kne s THR 79 Cb -0.14 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2kne s THR 79 CO 0.19 0.13 1.63 -1.81 -0.69 0.00 0.00 174.62 174.07 2kne s ASP 80 N 1.53 6.21 0.56 3.53 1.01 -1.26 -4.81 116.67 123.44 2kne s ASP 80 Ca 0.19 1.35 0.02 0.00 0.71 0.00 0.00 52.55 54.82 2kne s ASP 80 Cb -0.16 -2.53 0.08 0.00 1.01 0.00 0.00 42.92 41.32 2kne s ASP 80 CO 0.09 -1.44 0.88 -1.20 0.21 0.00 0.00 175.17 173.71 2kne n SER 81 N 9.12 0.00 -0.03 0.27 7.64 -1.26 0.11 113.62 129.46 2kne n SER 81 Ca 0.20 0.45 -0.08 0.00 1.01 0.00 0.00 58.87 60.45 2kne n SER 81 Cb 0.46 -0.02 0.09 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.65 -1.06 1.43 5.08 -2.01 -3.09 114.58 115.58 2kne h GLU 82 Ca 0.04 -0.31 0.28 0.00 -1.00 0.00 0.00 59.36 58.37 2kne h GLU 82 Cb 1.79 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.94 2kne h GLU 82 CO -0.00 0.91 0.69 1.49 -1.00 0.00 0.00 179.01 181.10 2kne h GLU 83 N 0.54 0.34 0.00 2.33 4.81 0.35 0.25 114.58 123.19 2kne h GLU 83 Ca 0.05 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2kne h GLU 83 Cb 0.88 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.18 2kne h GLU 83 CO 0.08 0.22 -0.85 1.49 -0.73 0.00 0.00 179.01 179.22 2kne h GLU 84 N 0.35 0.00 0.00 1.92 4.57 -1.72 -3.31 114.58 116.39 2kne h GLU 84 Ca 0.60 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.78 2kne h GLU 84 Cb 1.61 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.20 2kne h GLU 84 CO -0.28 0.00 0.00 -0.89 -1.18 0.00 0.00 179.01 176.66 2kne n ILE 85 N -2.56 0.00 -0.20 2.32 2.08 0.87 -1.02 119.36 120.85 2kne n ILE 85 Ca 0.01 1.25 -0.01 0.00 0.56 0.00 0.00 62.75 64.56 2kne n ILE 85 Cb 0.52 -2.22 0.21 0.00 -0.75 0.00 0.00 39.64 37.40 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 0.96 -0.72 0.38 0.11 -1.78 -2.86 114.38 110.47 2kne h ARG 86 Ca 0.00 -0.11 -0.05 0.00 0.10 0.00 0.00 59.98 59.92 2kne h ARG 86 Cb 0.00 -0.19 -0.03 0.00 1.11 0.00 0.00 29.97 30.86 2kne h ARG 86 CO 0.00 0.71 0.25 0.93 0.10 0.00 0.00 179.97 181.97 2kne h GLU 87 N 0.96 1.10 0.00 0.08 4.39 -1.65 -1.99 114.58 117.47 2kne h GLU 87 Ca 0.24 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2kne h GLU 87 Cb 0.05 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2kne h GLU 87 CO -0.04 0.92 -0.01 0.00 -1.16 0.00 0.00 179.01 178.73 2kne h ALA 88 N 1.12 1.07 0.06 3.43 0.00 -0.84 -2.57 119.26 121.54 2kne h ALA 88 Ca 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2kne h ALA 88 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kne h ALA 88 CO -0.01 0.01 -0.03 0.35 0.00 0.00 0.00 179.25 179.56 2kne h PHE 89 N 0.00 -0.08 -0.87 0.00 3.57 -1.34 -2.87 116.94 115.35 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 0.08 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.77 2kne h PHE 89 CO 0.00 0.47 0.51 0.00 -2.23 0.00 0.00 178.31 177.06 2kne h ARG 90 N -0.70 0.81 -0.37 1.11 3.08 -1.45 0.34 114.38 117.21 2kne h ARG 90 Ca -0.01 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 2kne h ARG 90 Cb 0.58 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2kne h ARG 90 CO 0.01 0.54 0.03 0.28 -1.07 0.00 0.00 179.97 179.77 2kne h VAL 91 N 0.84 1.25 -0.36 2.04 2.07 -1.62 -3.09 116.25 117.38 2kne h VAL 91 Ca 0.43 -0.92 -0.14 0.00 0.82 0.00 0.00 66.70 66.89 2kne h VAL 91 Cb 0.41 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2kne h VAL 91 CO -0.26 0.31 -0.35 -0.26 0.02 0.00 0.00 177.57 177.03 2kne h PHE 92 N 0.47 0.98 -2.10 1.57 -1.00 -1.12 -3.32 116.94 112.42 2kne h PHE 92 Ca 0.11 -0.28 -0.71 0.00 2.81 0.00 0.00 57.97 59.90 2kne h PHE 92 Cb 0.41 -0.21 -0.17 0.00 3.61 0.00 0.00 35.95 39.59 2kne h PHE 92 CO 0.03 1.06 1.27 0.34 -1.61 0.00 0.00 178.31 179.40 2kne s ASP 93 N -6.82 6.90 0.12 2.17 -1.08 0.11 -4.63 116.67 113.44 2kne s ASP 93 Ca -0.10 -2.61 -0.20 0.00 -0.52 0.00 0.00 52.55 49.12 2kne s ASP 93 Cb 0.12 -2.42 -0.06 0.00 -1.46 0.00 0.00 42.92 39.10 2kne s ASP 93 CO 0.86 -0.90 1.73 0.50 0.52 0.00 0.00 175.17 177.88 2kne h LYS 94 N 7.79 0.07 -0.23 4.34 3.64 -1.69 -2.64 116.57 127.84 2kne h LYS 94 Ca 0.27 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2kne h LYS 94 Cb 0.92 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2kne h LYS 94 CO 1.23 0.05 0.00 -0.40 -2.27 0.00 0.00 179.45 178.05 2kne n ASP 95 N -5.11 2.08 -3.78 4.20 5.75 -1.26 -4.94 116.55 113.48 2kne n ASP 95 Ca -0.03 -1.80 -0.23 0.00 -0.01 0.00 0.00 54.79 52.72 2kne n ASP 95 Cb 0.09 -0.15 0.02 0.00 -1.03 0.00 0.00 41.12 40.04 2kne n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 96 N 1.21 -0.28 0.67 6.12 0.00 -1.00 -4.86 105.19 107.05 2kne n GLY 96 Ca 0.16 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 -3.03 2.00 0.00 1.61 2.04 -1.26 -4.90 115.26 111.72 2kne n ASN 97 Ca -0.29 -1.79 0.00 0.00 -0.44 0.00 0.00 54.58 52.06 2kne n ASN 97 Cb 0.67 -0.15 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 1.19 0.86 3.03 4.83 0.00 -1.26 -5.02 105.19 108.81 2kne n GLY 98 Ca 0.16 0.00 -0.10 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 -3.40 0.46 -0.31 1.61 1.51 -1.26 -4.44 117.35 111.50 2kne s TYR 99 Ca 0.00 -0.58 -0.17 0.00 -1.01 0.00 0.00 57.07 55.31 2kne s TYR 99 Cb 0.00 -0.30 -0.02 0.00 -0.11 0.00 0.00 41.96 41.54 2kne s TYR 99 CO 0.00 -0.17 0.48 0.42 -1.11 0.00 0.00 175.55 175.18 2kne s ILE 100 N -1.73 5.06 0.25 2.71 1.01 -0.60 -4.70 121.20 123.20 2kne s ILE 100 Ca -0.11 0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.95 2kne s ILE 100 Cb -0.08 -3.87 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 2kne s ILE 100 CO -0.01 -0.06 0.58 -0.55 0.00 0.00 0.00 174.94 174.89 2kne s SER 101 N 1.68 6.65 0.18 3.58 0.15 -1.26 -2.73 113.70 121.95 2kne s SER 101 Ca 0.18 0.98 -0.13 0.00 0.70 0.00 0.00 55.95 57.69 2kne s SER 101 Cb -0.16 -2.25 0.17 0.00 -1.71 0.00 0.00 66.02 62.07 2kne s SER 101 CO 0.12 -0.10 1.76 0.00 1.20 0.00 0.00 173.24 176.21 2kne h ALA 102 N 2.48 0.63 -0.99 5.45 0.00 -1.97 -1.23 119.26 123.62 2kne h ALA 102 Ca -0.47 0.05 0.16 0.00 0.00 0.00 0.00 54.91 54.65 2kne h ALA 102 Cb 1.17 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 2kne h ALA 102 CO 0.68 -0.18 0.60 0.00 0.00 0.00 0.00 179.25 180.35 2kne h ALA 103 N 1.32 1.57 -0.53 0.00 0.00 -2.00 -0.15 119.26 119.47 2kne h ALA 103 Ca 0.24 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 2kne h ALA 103 Cb 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2kne h ALA 103 CO -0.22 0.05 0.00 0.93 0.00 0.00 0.00 179.25 180.01 2kne h GLU 104 N 0.84 0.93 -0.25 0.00 5.08 -1.58 -3.12 114.58 116.47 2kne h GLU 104 Ca 0.54 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2kne h GLU 104 Cb 0.72 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2kne h GLU 104 CO -0.34 0.95 0.11 1.25 -1.00 0.00 0.00 179.01 179.98 2kne h LEU 105 N 0.80 0.35 -0.96 1.33 5.85 -0.31 -2.97 115.31 119.41 2kne h LEU 105 Ca 0.15 -0.15 0.30 0.00 0.84 0.00 0.00 57.88 59.02 2kne h LEU 105 Cb 0.53 -0.09 -0.16 0.00 0.37 0.00 0.00 40.66 41.31 2kne h LEU 105 CO 0.03 0.40 0.32 -0.09 -0.34 0.00 0.00 178.44 178.76 2kne h ARG 106 N 0.26 0.13 0.00 1.25 2.43 -1.09 1.13 114.38 118.49 2kne h ARG 106 Ca 0.09 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2kne h ARG 106 Cb 0.16 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2kne h ARG 106 CO -0.01 0.09 -0.24 1.25 -1.51 0.00 0.00 179.97 179.55 2kne h HIS 107 N 0.14 0.00 -0.77 2.20 2.76 -1.57 -2.94 115.15 114.97 2kne h HIS 107 Ca 0.67 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.88 2kne h HIS 107 Cb 1.51 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.42 2kne h HIS 107 CO -0.21 0.24 0.48 0.28 -1.30 0.00 0.00 177.93 177.41 2kne h VAL 108 N 0.00 1.08 -0.67 5.26 2.07 0.13 -2.64 116.25 121.47 2kne h VAL 108 Ca -0.00 -0.31 0.13 0.00 0.82 0.00 0.00 66.70 67.34 2kne h VAL 108 Cb 0.44 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.21 2kne h VAL 108 CO 0.03 0.17 0.18 0.24 0.02 0.00 0.00 177.57 178.21 2kne h MET 109 N 0.91 0.30 -0.92 1.57 2.07 -1.50 -1.04 114.93 116.32 2kne h MET 109 Ca 0.32 -0.02 0.10 0.00 -2.07 0.00 0.00 59.70 58.03 2kne h MET 109 Cb 0.07 -0.07 -0.07 0.00 -1.87 0.00 0.00 31.60 29.67 2kne h MET 109 CO -0.13 0.20 0.59 1.79 1.07 0.00 0.00 176.91 180.43 2kne h THR 110 N 0.31 0.97 -0.54 2.22 1.35 -1.61 0.23 112.91 115.84 2kne h THR 110 Ca 0.36 -0.32 -0.10 0.00 -0.55 0.00 0.00 66.41 65.81 2kne h THR 110 Cb 0.56 -0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 66.93 2kne h THR 110 CO -0.43 0.17 -0.04 0.78 -0.25 0.00 0.00 175.52 175.75 2kne h ASN 111 N 0.92 0.97 1.17 5.36 2.35 -1.20 -2.90 115.58 122.26 2kne h ASN 111 Ca 0.43 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2kne h ASN 111 Cb 0.41 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2kne h ASN 111 CO -0.19 1.06 -0.14 0.18 -1.65 0.00 0.00 177.43 176.69 2kne n LEU 112 N -4.23 0.55 -0.88 1.61 4.77 -0.50 -4.94 117.00 113.39 2kne n LEU 112 Ca 0.02 0.45 -0.07 0.00 -0.03 0.00 0.00 56.01 56.38 2kne n LEU 112 Cb 0.35 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2kne n LEU 112 CO 0.44 -0.09 -0.08 0.61 -1.33 0.00 0.00 177.39 176.94 2kne n GLY 113 N 1.38 0.11 0.13 -0.72 0.00 0.71 -4.94 105.19 101.86 2kne n GLY 113 Ca 0.06 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.08 0.00 -6.55 1.61 4.57 -1.75 -3.48 114.58 108.90 2kne h GLU 114 Ca -0.17 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.52 2kne h GLU 114 Cb 1.13 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.75 2kne h GLU 114 CO 0.20 0.22 -0.95 1.63 -1.18 0.00 0.00 179.01 178.93 2kne n LYS 115 N -2.94 -0.85 -2.82 1.92 5.02 -1.26 -4.91 118.16 112.31 2kne n LYS 115 Ca -0.02 0.38 -0.34 0.00 -2.02 0.00 0.00 58.31 56.31 2kne n LYS 115 Cb 0.69 -3.28 -0.07 0.00 -0.02 0.00 0.00 35.03 32.35 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 -6.58 4.06 0.89 -0.35 1.43 -1.26 -5.08 118.68 111.79 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 -0.18 -4.37 0.17 0.00 0.03 0.00 0.00 46.19 41.83 2kne s LEU 116 CO 0.91 -0.27 1.23 0.28 0.23 0.00 0.00 176.35 178.73 2kne s THR 117 N -2.01 2.04 0.16 5.49 -1.32 -1.26 -4.88 115.64 113.87 2kne s THR 117 Ca 0.58 -0.13 -0.15 0.00 -1.21 0.00 0.00 61.69 60.78 2kne s THR 117 Cb -0.12 -2.91 0.04 0.00 -1.51 0.00 0.00 72.50 68.00 2kne s THR 117 CO 0.16 0.00 1.82 0.44 -2.21 0.00 0.00 174.62 174.83 2kne h ASP 118 N -1.31 0.51 -0.42 8.08 3.32 -1.99 -1.87 116.42 122.74 2kne h ASP 118 Ca -0.43 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 56.66 2kne h ASP 118 Cb 1.25 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 2kne h ASP 118 CO 0.42 0.37 0.17 -0.33 -1.72 0.00 0.00 179.24 178.15 2kne h GLU 119 N 0.61 0.34 -0.02 3.56 5.08 -2.00 -2.12 114.58 120.04 2kne h GLU 119 Ca 0.17 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2kne h GLU 119 Cb -0.05 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2kne h GLU 119 CO -0.05 0.23 -0.51 0.93 -1.00 0.00 0.00 179.01 178.60 2kne h GLU 120 N 0.35 0.05 -0.60 2.33 4.39 -1.89 -0.87 114.58 118.34 2kne h GLU 120 Ca 0.19 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 2kne h GLU 120 Cb 0.15 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2kne h GLU 120 CO -0.17 0.56 0.21 0.28 -1.16 0.00 0.00 179.01 178.72 2kne h VAL 121 N 0.04 1.24 -0.21 3.13 2.07 -0.87 -1.87 116.25 119.79 2kne h VAL 121 Ca -0.00 -0.79 -0.15 0.00 0.82 0.00 0.00 66.70 66.58 2kne h VAL 121 Cb 0.93 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2kne h VAL 121 CO 0.07 0.30 -0.48 0.44 0.02 0.00 0.00 177.57 177.93 2kne h ASP 122 N 0.85 0.60 0.33 0.57 3.32 -1.21 -3.12 116.42 117.76 2kne h ASP 122 Ca 0.20 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 2kne h ASP 122 Cb 0.26 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2kne h ASP 122 CO -0.01 0.98 -0.16 -0.08 -1.72 0.00 0.00 179.24 178.26 2kne h GLU 123 N 0.44 -0.42 -0.67 3.56 4.81 -0.62 -2.06 114.58 119.62 2kne h GLU 123 Ca 0.02 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.37 2kne h GLU 123 Cb 1.00 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.40 2kne h GLU 123 CO 0.09 -0.28 0.32 0.52 -0.73 0.00 0.00 179.01 178.94 2kne h MET 124 N -0.44 0.55 -0.65 1.92 2.86 -1.43 -1.79 114.93 115.95 2kne h MET 124 Ca -0.04 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2kne h MET 124 Cb 0.34 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 2kne h MET 124 CO 0.07 0.36 0.39 0.82 1.06 0.00 0.00 176.91 179.62 2kne h ILE 125 N 0.57 1.05 -0.64 -1.22 2.04 -1.44 -2.01 117.51 115.86 2kne h ILE 125 Ca 0.33 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2kne h ILE 125 Cb 0.33 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2kne h ILE 125 CO -0.26 0.14 0.42 0.03 0.00 0.00 0.00 178.15 178.48 2kne h ARG 126 N 0.76 0.85 -0.91 2.37 3.08 -0.61 -0.07 114.38 119.85 2kne h ARG 126 Ca 0.27 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.28 2kne h ARG 126 Cb 0.06 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 29.88 2kne h ARG 126 CO -0.12 0.57 0.60 0.93 -1.07 0.00 0.00 179.97 180.87 2kne h GLU 127 N 0.87 1.16 0.00 0.04 4.39 -0.98 -2.81 114.58 117.25 2kne h GLU 127 Ca 0.23 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2kne h GLU 127 Cb -0.09 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.30 2kne h GLU 127 CO -0.05 0.77 -1.07 0.00 -1.16 0.00 0.00 179.01 177.50 2kne n ALA 128 N -2.35 2.75 -2.31 3.43 0.00 -1.02 -4.76 120.51 116.25 2kne n ALA 128 Ca 0.11 -0.29 -0.34 0.00 0.00 0.00 0.00 53.44 52.91 2kne n ALA 128 Cb 0.04 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 2kne n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kne s ASP 129 N -4.88 5.84 0.28 0.00 2.15 -0.07 -4.76 116.67 115.24 2kne s ASP 129 Ca 0.00 -1.28 0.24 0.00 0.43 0.00 0.00 52.55 51.95 2kne s ASP 129 Cb 0.11 -2.57 1.02 0.00 -0.30 0.00 0.00 42.92 41.18 2kne s ASP 129 CO 0.80 -2.13 1.73 -0.29 -0.17 0.00 0.00 175.17 175.11 2kne h ILE 130 N 6.78 0.00 -3.59 4.11 2.10 -1.86 -3.43 117.51 121.63 2kne h ILE 130 Ca 0.19 -0.25 -0.17 0.00 1.08 0.00 0.00 64.86 65.70 2kne h ILE 130 Cb 0.99 1.00 -0.23 0.00 -1.09 0.00 0.00 36.82 37.49 2kne h ILE 130 CO 1.32 0.00 -0.57 1.51 -1.08 0.00 0.00 178.15 179.33 2kne s ASP 131 N -4.36 0.01 -0.25 2.19 -4.77 -1.26 -5.06 116.67 103.17 2kne s ASP 131 Ca 0.04 -0.08 -0.04 0.00 -3.30 0.00 0.00 52.55 49.16 2kne s ASP 131 Cb 0.09 0.19 -0.15 0.00 -1.09 0.00 0.00 42.92 41.97 2kne s ASP 131 CO 0.40 -0.22 2.45 0.61 0.70 0.00 0.00 175.17 179.11 2kne n GLY 132 N 2.15 2.52 0.06 2.12 0.00 -1.26 -4.21 105.19 106.57 2kne n GLY 132 Ca -0.19 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 3.01 0.66 0.00 1.61 5.75 -1.26 -4.95 116.55 121.37 2kne n ASP 133 Ca 0.33 -0.44 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 2kne n ASP 133 Cb 0.48 0.27 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 1.47 0.79 3.13 6.12 0.00 -1.26 -5.00 105.19 110.44 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 -0.18 0.73 -0.30 1.61 -0.21 -1.26 -4.78 119.66 115.27 2kne s GLN 135 Ca 0.00 -1.06 -0.11 0.00 0.02 0.00 0.00 55.36 54.21 2kne s GLN 135 Cb 0.00 -0.38 -0.04 0.00 1.00 0.00 0.00 33.01 33.60 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 -2.32 5.16 0.81 1.09 1.01 -1.11 -4.91 120.40 120.13 2kne s VAL 136 Ca 0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 2kne s VAL 136 Cb -0.04 -3.53 0.12 0.00 0.00 0.00 0.00 36.38 32.94 2kne s VAL 136 CO -0.01 0.17 1.14 0.21 0.00 0.00 0.00 175.10 176.60 2kne s ASN 137 N 1.73 4.11 0.23 3.32 2.47 -1.26 -1.56 114.94 123.97 2kne s ASN 137 Ca 0.06 0.28 -0.08 0.00 0.42 0.00 0.00 52.86 53.55 2kne s ASN 137 Cb -0.16 -0.65 0.20 0.00 -1.45 0.00 0.00 41.25 39.18 2kne s ASN 137 CO 0.10 -2.07 1.86 0.22 -3.72 0.00 0.00 177.10 173.49 2kne h TYR 138 N -1.00 1.17 -0.47 0.43 3.20 -1.99 -1.34 116.97 116.98 2kne h TYR 138 Ca -0.43 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 2kne h TYR 138 Cb 1.28 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 2kne h TYR 138 CO -0.27 0.79 0.23 0.93 -1.64 0.00 0.00 178.16 178.20 2kne h GLU 139 N 1.21 0.67 -0.60 1.82 5.08 -1.97 -1.49 114.58 119.30 2kne h GLU 139 Ca 0.31 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2kne h GLU 139 Cb -0.02 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 2kne h GLU 139 CO -0.06 0.56 0.09 0.93 -1.00 0.00 0.00 179.01 179.53 2kne h GLU 140 N 0.61 0.97 -0.49 2.33 5.08 -1.79 -1.71 114.58 119.59 2kne h GLU 140 Ca 0.16 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2kne h GLU 140 Cb 0.11 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2kne h GLU 140 CO -0.02 0.90 0.28 0.35 -1.00 0.00 0.00 179.01 179.52 2kne h PHE 141 N 0.92 0.66 -0.21 4.33 3.57 -0.93 -2.75 116.94 122.53 2kne h PHE 141 Ca 0.18 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2kne h PHE 141 Cb 0.41 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2kne h PHE 141 CO 0.03 0.48 0.03 0.28 -2.23 0.00 0.00 178.31 176.90 2kne h VAL 142 N 0.65 1.23 -0.85 1.41 2.07 -1.07 -1.80 116.25 117.89 2kne h VAL 142 Ca 0.17 -0.75 0.18 0.00 0.82 0.00 0.00 66.70 67.13 2kne h VAL 142 Cb 0.03 1.32 -0.11 0.00 -1.52 0.00 0.00 31.29 31.01 2kne h VAL 142 CO -0.03 0.23 0.38 -0.61 0.02 0.00 0.00 177.57 177.56 2kne h GLN 143 N 0.14 0.46 -0.06 1.57 5.75 -1.17 0.33 115.11 122.13 2kne h GLN 143 Ca 0.06 -0.03 -0.25 0.00 -0.15 0.00 0.00 58.65 58.29 2kne h GLN 143 Cb 0.32 -0.10 0.02 0.00 1.07 0.00 0.00 27.48 28.78 2kne h GLN 143 CO 0.00 0.31 -0.93 0.52 -2.65 0.00 0.00 178.83 176.08 2kne h MET 144 N 0.48 0.72 -0.05 1.69 2.86 -1.31 -3.02 114.93 116.29 2kne h MET 144 Ca 0.50 -0.69 -0.06 0.00 -2.06 0.00 0.00 59.70 57.39 2kne h MET 144 Cb 0.83 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2kne h MET 144 CO -0.45 1.28 -0.19 0.52 1.06 0.00 0.00 176.91 179.14 2kne h MET 145 N 0.44 0.21 -1.13 1.72 2.86 -0.62 -3.20 114.93 115.21 2kne h MET 145 Ca -0.10 -0.16 -0.24 0.00 -2.06 0.00 0.00 59.70 57.14 2kne h MET 145 Cb 1.58 0.03 -0.13 0.00 0.06 0.00 0.00 31.60 33.13 2kne h MET 145 CO 0.19 0.80 0.31 0.25 1.06 0.00 0.00 176.91 179.52 2kne n THR 146 N -4.57 2.14 -0.52 2.22 -2.24 0.11 -4.57 114.28 106.85 2kne n THR 146 Ca -0.08 -1.00 0.42 0.00 -2.27 0.00 0.00 64.05 61.11 2kne n THR 146 Cb 0.42 -0.90 0.72 0.00 -2.10 0.00 0.00 70.33 68.47 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 1.53 3.15 0.00 6.98 0.00 -1.52 -3.48 119.26 125.92 2kne h ALA 147 Ca 0.28 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kne h ALA 147 Cb 1.61 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2kne h ALA 147 CO 0.53 -1.72 0.00 1.17 0.00 0.00 0.00 179.25 179.23