#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 0.75 -4.75 0.00 3.58 -2.06 -3.44 116.42 110.50 2kne h ASP 2 Ca 0.00 -0.16 -0.26 0.00 0.42 0.00 0.00 57.03 57.03 2kne h ASP 2 Cb 0.00 -0.20 0.04 0.00 1.72 0.00 0.00 39.33 40.89 2kne h ASP 2 CO 0.00 0.78 0.04 0.00 -2.88 0.00 0.00 179.24 177.18 2kne n GLN 3 N -4.24 0.36 0.00 0.28 6.02 -1.26 -4.98 117.38 113.57 2kne n GLN 3 Ca 0.03 -1.55 0.00 0.00 -0.01 0.00 0.00 57.00 55.47 2kne n GLN 3 Cb 0.27 -0.30 0.00 0.00 1.02 0.00 0.00 30.24 31.22 2kne n GLN 3 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2kne n LEU 4 N 0.00 0.00 -4.75 1.08 4.77 -1.26 -5.14 117.00 111.69 2kne n LEU 4 Ca 0.09 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.67 2kne n LEU 4 Cb 0.33 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 2kne n LEU 4 CO 0.22 0.00 0.73 0.42 -1.33 0.00 0.00 177.39 177.43 2kne s THR 5 N 0.00 3.77 0.20 -5.08 -4.23 -1.26 -4.93 115.64 104.11 2kne s THR 5 Ca 0.00 1.77 -0.12 0.00 -1.18 0.00 0.00 61.69 62.16 2kne s THR 5 Cb 0.00 -4.12 0.17 0.00 1.34 0.00 0.00 72.50 69.88 2kne s THR 5 CO 0.00 0.42 1.68 1.05 -0.54 0.00 0.00 174.62 177.22 2kne h GLU 6 N 4.04 0.14 -1.01 3.99 9.09 -2.01 -1.32 114.58 127.51 2kne h GLU 6 Ca -0.46 -0.01 0.40 0.00 0.05 0.00 0.00 59.36 59.34 2kne h GLU 6 Cb 1.21 -0.03 -0.15 0.00 -1.65 0.00 0.00 28.75 28.12 2kne h GLU 6 CO 0.68 0.10 0.58 -1.91 0.05 0.00 0.00 179.01 178.51 2kne n GLU 7 N -5.23 -0.05 -0.12 1.06 0.00 -1.26 0.17 120.64 115.21 2kne n GLU 7 Ca 0.08 1.23 -0.10 0.00 0.00 0.00 0.00 57.16 58.36 2kne n GLU 7 Cb 0.32 -2.26 0.03 0.00 0.00 0.00 0.00 31.44 29.53 2kne n GLU 7 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2kne h GLN 8 N 0.00 0.90 -0.55 5.31 5.75 -1.62 -1.15 115.11 123.75 2kne h GLN 8 Ca 0.78 -0.39 0.01 0.00 -0.15 0.00 0.00 58.65 58.90 2kne h GLN 8 Cb 2.21 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 30.71 2kne h GLN 8 CO -0.62 1.04 0.36 0.82 -2.65 0.00 0.00 178.83 177.78 2kne h ILE 9 N 0.77 1.13 -0.45 2.39 2.04 0.17 -1.17 117.51 122.39 2kne h ILE 9 Ca 0.10 -0.25 0.09 0.00 1.00 0.00 0.00 64.86 65.79 2kne h ILE 9 Cb 0.81 0.33 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 2kne h ILE 9 CO 0.07 0.13 -0.04 0.00 0.00 0.00 0.00 178.15 178.31 2kne h ALA 10 N 1.21 0.38 -0.24 1.87 0.00 -0.78 0.06 119.26 121.75 2kne h ALA 10 Ca 0.21 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2kne h ALA 10 Cb -0.07 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2kne h ALA 10 CO -0.05 -0.41 0.15 0.93 0.00 0.00 0.00 179.25 179.87 2kne h GLU 11 N 0.07 0.32 -0.81 0.00 5.08 -0.61 -2.84 114.58 115.79 2kne h GLU 11 Ca 0.22 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2kne h GLU 11 Cb 0.33 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2kne h GLU 11 CO -0.41 0.24 0.52 0.74 -1.00 0.00 0.00 179.01 179.10 2kne h PHE 12 N 0.31 0.98 -0.09 4.33 0.04 -0.56 -2.86 116.94 119.09 2kne h PHE 12 Ca 0.09 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.92 2kne h PHE 12 Cb -0.01 -0.33 -0.06 0.00 2.20 0.00 0.00 35.95 37.75 2kne h PHE 12 CO -0.05 0.58 -0.43 -0.22 -0.60 0.00 0.00 178.31 177.59 2kne h LYS 13 N 1.03 -0.50 -0.74 1.51 3.64 -0.76 -0.76 116.57 119.98 2kne h LYS 13 Ca 0.32 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.87 2kne h LYS 13 Cb -0.02 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 31.81 2kne h LYS 13 CO -0.10 -0.34 0.27 0.93 -2.27 0.00 0.00 179.45 177.95 2kne h GLU 14 N -0.52 0.39 -0.86 1.90 5.08 -1.46 -0.13 114.58 118.99 2kne h GLU 14 Ca 0.06 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 2kne h GLU 14 Cb 0.64 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2kne h GLU 14 CO -0.37 0.26 0.56 0.00 -1.00 0.00 0.00 179.01 178.45 2kne h ALA 15 N 1.55 1.62 -0.97 3.43 0.00 -0.97 -2.44 119.26 121.48 2kne h ALA 15 Ca 0.41 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.34 2kne h ALA 15 Cb 0.63 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2kne h ALA 15 CO -0.42 0.22 0.63 0.74 0.00 0.00 0.00 179.25 180.43 2kne h PHE 16 N 0.89 1.19 0.00 0.00 -1.00 0.16 -0.77 116.94 117.41 2kne h PHE 16 Ca 0.38 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.19 2kne h PHE 16 Cb 0.32 -0.39 0.00 0.00 3.61 0.00 0.00 35.95 39.49 2kne h PHE 16 CO -0.00 0.67 0.00 0.66 -1.61 0.00 0.00 178.31 178.03 2kne h SER 17 N 1.22 0.00 -0.56 2.17 4.64 -1.41 -2.36 113.55 117.24 2kne h SER 17 Ca 0.39 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.66 2kne h SER 17 Cb 0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2kne h SER 17 CO -0.13 0.00 0.13 0.25 -0.87 0.00 0.00 176.83 176.21 2kne h LEU 18 N 0.00 0.86 0.00 5.97 5.85 -1.17 -3.29 115.31 123.53 2kne h LEU 18 Ca 0.00 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2kne h LEU 18 Cb 0.20 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2kne h LEU 18 CO 0.00 0.87 -1.12 2.22 -0.34 0.00 0.00 178.44 180.08 2kne n PHE 19 N -4.38 0.00 -2.15 1.25 1.16 -1.13 -4.87 117.46 107.34 2kne n PHE 19 Ca 0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.27 2kne n PHE 19 Cb 0.24 -0.14 -0.04 0.00 -1.61 0.00 0.00 39.48 37.93 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 5.44 0.01 5.98 1.01 -0.90 -4.82 116.67 120.40 2kne s ASP 20 Ca 0.01 -0.44 -0.25 0.00 0.71 0.00 0.00 52.55 52.58 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 0.64 -2.40 1.39 0.50 0.21 0.00 0.00 175.17 175.51 2kne h LYS 21 N 12.13 0.04 -0.55 8.23 3.64 -1.89 -3.28 116.57 134.89 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 32.88 2kne h LYS 21 CO 1.25 0.40 0.00 -0.40 -2.27 0.00 0.00 179.45 178.42 2kne n ASP 22 N -4.88 4.38 -3.97 4.20 5.68 -1.26 -4.96 116.55 115.74 2kne n ASP 22 Ca -0.08 -2.47 -0.30 0.00 -0.50 0.00 0.00 54.79 51.44 2kne n ASP 22 Cb 0.20 -0.52 -0.07 0.00 -1.14 0.00 0.00 41.12 39.59 2kne n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kne n GLY 23 N 0.79 -0.21 0.16 6.12 0.00 -1.24 -4.75 105.19 106.06 2kne n GLY 23 Ca 0.23 0.10 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 -2.05 0.59 0.00 1.61 5.75 -1.26 -4.89 116.55 116.31 2kne n ASP 24 Ca -0.08 -0.82 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 2kne n ASP 24 Cb 0.46 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 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 1.22 0.80 3.04 6.12 0.00 -1.26 -5.03 105.19 110.08 2kne n GLY 25 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 2kne n GLY 25 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kne s THR 26 N -2.93 0.16 -0.20 2.61 -1.32 -1.26 -4.81 115.64 107.89 2kne s THR 26 Ca 0.00 -1.32 -0.19 0.00 -1.21 0.00 0.00 61.69 58.97 2kne s THR 26 Cb 0.00 -0.88 -0.03 0.00 -1.51 0.00 0.00 72.50 70.08 2kne s THR 26 CO 0.00 -0.73 0.53 -0.63 -2.21 0.00 0.00 174.62 171.58 2kne s ILE 27 N -2.66 5.09 0.31 5.08 1.09 -0.91 -4.91 121.20 124.28 2kne s ILE 27 Ca -0.05 0.98 0.09 0.00 -1.10 0.00 0.00 60.65 60.57 2kne s ILE 27 Cb -0.01 -3.85 -0.04 0.00 -1.06 0.00 0.00 42.46 37.49 2kne s ILE 27 CO -0.05 0.17 0.09 0.42 -0.10 0.00 0.00 174.94 175.47 2kne s THR 28 N 1.69 3.26 0.32 2.92 -4.23 -1.26 -2.65 115.64 115.68 2kne s THR 28 Ca 0.24 -1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 58.99 2kne s THR 28 Cb -0.15 -2.96 0.26 0.00 1.34 0.00 0.00 72.50 70.99 2kne s THR 28 CO 0.10 -0.26 1.98 0.71 -0.54 0.00 0.00 174.62 176.61 2kne h THR 29 N 1.66 1.19 0.70 3.99 1.35 -1.93 -2.07 112.91 117.81 2kne h THR 29 Ca -0.44 -0.35 -0.03 0.00 -0.55 0.00 0.00 66.41 65.03 2kne h THR 29 Cb 1.25 0.07 0.01 0.00 -1.73 0.00 0.00 68.15 67.75 2kne h THR 29 CO 0.62 0.19 -0.34 0.50 -0.25 0.00 0.00 175.52 176.24 2kne h LYS 30 N 1.03 -0.90 0.00 4.72 3.64 -1.98 -2.52 116.57 120.55 2kne h LYS 30 Ca 0.28 0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 2kne h LYS 30 Cb -0.11 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2kne h LYS 30 CO -0.06 -0.60 -0.19 1.05 -2.27 0.00 0.00 179.45 177.38 2kne h GLU 31 N -0.96 0.00 0.34 1.90 4.11 -1.90 -2.60 114.58 115.46 2kne h GLU 31 Ca -0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 2kne h GLU 31 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2kne h GLU 31 CO 0.16 0.19 -0.16 1.25 0.07 0.00 0.00 179.01 180.51 2kne h LEU 32 N 0.00 -0.38 -1.16 3.06 5.85 -1.15 -2.95 115.31 118.57 2kne h LEU 32 Ca -0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2kne h LEU 32 Cb 0.36 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2kne h LEU 32 CO 0.02 -0.24 0.38 1.23 -0.34 0.00 0.00 178.44 179.49 2kne h GLY 33 N -0.49 1.02 0.89 3.75 0.00 -1.25 -2.81 103.07 104.18 2kne h GLY 33 Ca -0.05 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 2kne h GLY 33 CO 0.08 0.43 -0.15 -0.84 0.00 0.00 0.00 176.54 176.06 2kne h THR 34 N 0.97 0.68 -0.55 4.70 2.02 -1.36 -1.39 112.91 117.97 2kne h THR 34 Ca 0.25 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.46 2kne h THR 34 Cb 0.02 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2kne h THR 34 CO -0.04 0.00 0.31 0.58 0.37 0.00 0.00 175.52 176.74 2kne h VAL 35 N -0.36 1.01 -0.89 3.16 2.07 -1.34 -1.62 116.25 118.27 2kne h VAL 35 Ca -0.01 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.33 2kne h VAL 35 Cb 0.31 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 2kne h VAL 35 CO 0.00 0.11 0.59 -0.03 0.02 0.00 0.00 177.57 178.26 2kne h MET 36 N 0.61 1.11 -0.98 1.57 -1.53 -1.31 -1.10 114.93 113.29 2kne h MET 36 Ca 0.23 -0.07 0.20 0.00 -3.44 0.00 0.00 59.70 56.62 2kne h MET 36 Cb 0.08 -0.25 -0.09 0.00 -0.55 0.00 0.00 31.60 30.79 2kne h MET 36 CO -0.13 0.73 0.61 -0.09 0.14 0.00 0.00 176.91 178.18 2kne h ARG 37 N 1.14 0.64 0.00 0.39 2.43 -0.26 0.93 114.38 119.65 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 -0.02 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2kne h ARG 37 CO -0.10 0.42 -0.01 0.66 -1.51 0.00 0.00 179.97 179.43 2kne h SER 38 N 0.66 0.00 0.00 -3.80 4.64 -0.97 -0.20 113.55 113.87 2kne h SER 38 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 2kne h SER 38 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2kne h SER 38 CO -0.31 0.01 0.00 -0.11 -0.87 0.00 0.00 176.83 175.55 2kne n LEU 39 N -3.20 0.00 0.00 5.97 0.00 0.32 -4.79 117.00 115.30 2kne n LEU 39 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.99 2kne n LEU 39 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.57 2kne n LEU 39 CO 0.23 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.23 2kne n GLY 40 N 0.37 0.61 3.40 -3.96 0.00 -0.09 -5.07 105.19 100.44 2kne n GLY 40 Ca 0.15 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 2kne n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kne s GLN 41 N -2.94 1.56 -0.49 1.61 -0.21 -1.21 -5.10 119.66 112.89 2kne s GLN 41 Ca 0.00 -1.86 0.05 0.00 0.02 0.00 0.00 55.36 53.58 2kne s GLN 41 Cb 0.00 -0.63 0.20 0.00 1.00 0.00 0.00 33.01 33.58 2kne s GLN 41 CO 0.00 -0.23 0.46 0.09 -2.12 0.00 0.00 175.29 173.49 2kne n ASN 42 N -0.60 0.85 -4.75 5.90 3.02 -1.26 -4.33 115.26 114.09 2kne n ASN 42 Ca -0.01 -2.74 -0.38 0.00 -0.03 0.00 0.00 54.58 51.42 2kne n ASN 42 Cb 0.66 -0.63 0.05 0.00 -0.61 0.00 0.00 39.78 39.25 2kne n ASN 42 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2kne s PRO 43 N -0.84 2.99 0.77 3.52 0.02 -1.26 -5.00 135.00 135.21 2kne s PRO 43 Ca 0.33 2.15 -0.11 0.00 0.02 0.00 0.00 61.00 63.38 2kne s PRO 43 Cb 0.07 -2.13 0.06 0.00 0.02 0.00 0.00 34.50 32.51 2kne s PRO 43 CO -0.15 -1.28 1.10 -0.08 -0.33 0.00 0.00 177.00 176.26 2kne s THR 44 N -1.35 3.19 0.20 0.99 -1.32 -1.26 -4.93 115.64 111.16 2kne s THR 44 Ca 0.75 0.39 -0.10 0.00 -1.21 0.00 0.00 61.69 61.51 2kne s THR 44 Cb -0.39 -3.18 0.13 0.00 -1.51 0.00 0.00 72.50 67.55 2kne s THR 44 CO 0.44 -0.50 1.83 1.05 -2.21 0.00 0.00 174.62 175.23 2kne h GLU 45 N -0.99 0.76 -0.16 7.08 4.11 -2.03 -1.32 114.58 122.04 2kne h GLU 45 Ca -0.46 -0.05 0.05 0.00 0.07 0.00 0.00 59.36 58.97 2kne h GLU 45 Cb 1.26 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2kne h GLU 45 CO 0.60 0.50 0.22 0.00 0.07 0.00 0.00 179.01 180.40 2kne h ALA 46 N 1.30 1.68 -0.57 1.06 0.00 -2.01 -0.65 119.26 120.06 2kne h ALA 46 Ca 0.27 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2kne h ALA 46 Cb 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2kne h ALA 46 CO -0.12 -0.30 0.02 1.49 0.00 0.00 0.00 179.25 180.34 2kne h GLU 47 N 0.00 0.97 -0.94 0.00 4.57 -1.60 -1.74 114.58 115.85 2kne h GLU 47 Ca 0.07 -0.28 0.08 0.00 -1.18 0.00 0.00 59.36 58.05 2kne h GLU 47 Cb 0.51 -0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 28.93 2kne h GLU 47 CO -0.00 0.95 0.59 -0.07 -1.18 0.00 0.00 179.01 179.29 2kne h LEU 48 N 0.90 0.91 0.30 1.64 4.07 -1.19 -1.65 115.31 120.29 2kne h LEU 48 Ca 0.17 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.14 2kne h LEU 48 Cb 0.50 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2kne h LEU 48 CO 0.02 0.56 -0.14 -0.61 -1.08 0.00 0.00 178.44 177.19 2kne h GLN 49 N 1.04 -0.38 -0.20 1.13 4.15 -1.51 -2.69 115.11 116.65 2kne h GLN 49 Ca 0.42 0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.91 2kne h GLN 49 Cb 0.24 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 2kne h GLN 49 CO -0.20 -0.06 -0.08 0.22 -1.93 0.00 0.00 178.83 176.79 2kne h ASP 50 N -0.94 -0.27 0.12 -0.69 3.58 -1.23 -0.80 116.42 116.18 2kne h ASP 50 Ca -0.04 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2kne h ASP 50 Cb 0.50 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2kne h ASP 50 CO 0.07 -0.11 -0.06 0.24 -2.88 0.00 0.00 179.24 176.50 2kne h MET 51 N -0.05 -0.15 -0.21 0.28 2.86 -1.43 -2.56 114.93 113.67 2kne h MET 51 Ca 0.11 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2kne h MET 51 Cb 0.21 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2kne h MET 51 CO -0.24 0.11 0.12 0.82 1.06 0.00 0.00 176.91 178.79 2kne h ILE 52 N -0.41 1.02 -0.46 -1.22 1.08 -1.44 -2.55 117.51 113.53 2kne h ILE 52 Ca -0.02 -0.09 0.05 0.00 -0.39 0.00 0.00 64.86 64.41 2kne h ILE 52 Cb 0.33 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 2kne h ILE 52 CO 0.03 0.05 0.31 0.78 -0.69 0.00 0.00 178.15 178.62 2kne h ASN 53 N 0.25 0.38 -0.61 1.72 2.35 -1.16 -0.15 115.58 118.35 2kne h ASN 53 Ca 0.08 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 2kne h ASN 53 Cb -0.01 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 2kne h ASN 53 CO -0.04 0.26 0.04 -0.08 -1.65 0.00 0.00 177.43 175.96 2kne h GLU 54 N 0.44 1.07 0.00 0.81 4.57 -1.03 -3.01 114.58 117.43 2kne h GLU 54 Ca 0.19 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2kne h GLU 54 Cb 0.22 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2kne h GLU 54 CO -0.05 1.01 -0.71 0.28 -1.18 0.00 0.00 179.01 178.37 2kne h VAL 55 N 0.98 0.00 -0.95 0.32 2.07 -1.32 -3.44 116.25 113.92 2kne h VAL 55 Ca 0.18 -0.94 -0.56 0.00 0.82 0.00 0.00 66.70 66.20 2kne h VAL 55 Cb 0.50 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 2kne h VAL 55 CO 0.02 0.00 1.57 -0.62 0.02 0.00 0.00 177.57 178.56 2kne s ASP 56 N -5.44 6.32 0.26 0.57 2.15 -0.12 -4.83 116.67 115.58 2kne s ASP 56 Ca 0.02 -1.64 -0.04 0.00 0.43 0.00 0.00 52.55 51.32 2kne s ASP 56 Cb 0.09 -2.57 0.32 0.00 -0.30 0.00 0.00 42.92 40.46 2kne s ASP 56 CO 0.75 -1.68 1.84 0.00 -0.17 0.00 0.00 175.17 175.91 2kne h ALA 57 N 9.37 1.20 -0.01 3.66 0.00 -1.85 -2.80 119.26 128.83 2kne h ALA 57 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kne h ALA 57 Cb 0.97 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kne h ALA 57 CO 1.40 0.59 -0.09 -0.40 0.00 0.00 0.00 179.25 180.75 2kne n ASP 58 N -4.31 0.77 -1.80 0.00 5.75 -1.26 -4.93 116.55 110.78 2kne n ASP 58 Ca 0.06 -0.95 -0.20 0.00 -0.01 0.00 0.00 54.79 53.70 2kne n ASP 58 Cb 0.17 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.19 2kne n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 59 N 1.22 1.05 0.43 6.12 0.00 -1.06 -4.85 105.19 108.10 2kne n GLY 59 Ca 0.17 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2kne n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kne n ASN 60 N -1.44 1.31 0.00 1.61 6.94 -1.26 -4.91 115.26 117.51 2kne n ASN 60 Ca -0.21 -1.59 0.00 0.00 -0.02 0.00 0.00 54.58 52.76 2kne n ASN 60 Cb 0.66 -0.06 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 1.09 0.85 3.43 4.83 0.00 -1.26 -5.01 105.19 109.12 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 -3.36 0.01 -0.15 2.61 -4.23 -1.26 -4.72 115.64 104.54 2kne s THR 62 Ca 0.00 -1.58 -0.01 0.00 -1.18 0.00 0.00 61.69 58.92 2kne s THR 62 Cb 0.00 -2.23 -0.02 0.00 1.34 0.00 0.00 72.50 71.59 2kne s THR 62 CO 0.00 -0.05 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.30 2kne s ILE 63 N -4.05 3.26 0.42 2.99 1.01 -1.09 -4.81 121.20 118.93 2kne s ILE 63 Ca 0.26 -0.58 0.06 0.00 0.00 0.00 0.00 60.65 60.40 2kne s ILE 63 Cb 0.02 -2.40 0.06 0.00 0.01 0.00 0.00 42.46 40.15 2kne s ILE 63 CO 0.08 0.50 0.50 -0.67 0.00 0.00 0.00 174.94 175.36 2kne n ASP 64 N 3.71 1.80 -0.10 3.58 2.03 -1.26 -2.15 116.55 124.16 2kne n ASP 64 Ca -0.18 -2.23 -0.06 0.00 0.52 0.00 0.00 54.79 52.84 2kne n ASP 64 Cb 0.52 -0.22 0.01 0.00 -0.72 0.00 0.00 41.12 40.71 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 0.18 -0.22 -0.67 3.04 -2.00 -1.94 116.94 115.58 2kne h PHE 65 Ca -0.22 0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.79 2kne h PHE 65 Cb 0.93 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.38 2kne h PHE 65 CO 0.00 0.07 -0.01 -1.35 -2.02 0.00 0.00 178.31 174.99 2kne h PRO 66 N 0.24 0.05 0.00 6.41 0.11 -2.01 -0.03 132.00 136.77 2kne h PRO 66 Ca 0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2kne h PRO 66 Cb 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2kne h PRO 66 CO -0.17 0.03 0.00 0.93 -0.21 0.00 0.00 178.00 178.58 2kne h GLU 67 N 0.05 0.00 0.27 1.05 5.08 -1.91 -2.90 114.58 116.23 2kne h GLU 67 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2kne h GLU 67 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2kne h GLU 67 CO -0.19 0.00 -0.13 0.35 -1.00 0.00 0.00 179.01 178.04 2kne h PHE 68 N 0.00 -0.34 -0.72 4.33 3.57 -0.21 -3.34 116.94 120.23 2kne h PHE 68 Ca 0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 2kne h PHE 68 Cb 0.16 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 2kne h PHE 68 CO 0.00 -0.19 0.41 -0.07 -2.23 0.00 0.00 178.31 176.23 2kne h LEU 69 N -1.09 0.61 -0.76 0.59 3.38 -1.21 -2.23 115.31 114.59 2kne h LEU 69 Ca -0.04 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.13 2kne h LEU 69 Cb 0.31 -0.09 -0.14 0.00 0.09 0.00 0.00 40.66 40.83 2kne h LEU 69 CO 0.06 0.38 -0.06 0.74 0.09 0.00 0.00 178.44 179.65 2kne h THR 70 N 0.74 0.29 -0.25 0.22 2.02 -1.66 -0.89 112.91 113.38 2kne h THR 70 Ca 0.33 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 67.44 2kne h THR 70 Cb 0.22 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2kne h THR 70 CO -0.19 0.01 -0.04 0.24 0.37 0.00 0.00 175.52 175.90 2kne h MET 71 N 0.06 0.46 -0.85 6.66 2.86 -1.52 -3.13 114.93 119.48 2kne h MET 71 Ca 0.40 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 2kne h MET 71 Cb 0.69 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.28 2kne h MET 71 CO -0.72 0.68 0.47 0.52 1.06 0.00 0.00 176.91 178.92 2kne h MET 72 N 0.22 1.17 -0.36 1.72 2.07 -1.05 0.25 114.93 118.95 2kne h MET 72 Ca 0.06 -0.13 -0.06 0.00 -2.07 0.00 0.00 59.70 57.50 2kne h MET 72 Cb 0.49 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.97 2kne h MET 72 CO 0.02 0.85 -0.04 0.00 1.07 0.00 0.00 176.91 178.81 2kne h ALA 73 N 1.34 1.27 0.00 6.32 0.00 -1.23 -2.81 119.26 124.15 2kne h ALA 73 Ca 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kne h ALA 73 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2kne h ALA 73 CO -0.05 0.49 -0.99 2.89 0.00 0.00 0.00 179.25 181.59 2kne n ARG 74 N -4.24 0.28 -1.71 0.00 1.85 -1.02 -4.53 116.66 107.30 2kne n ARG 74 Ca 0.01 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.46 2kne n ARG 74 Cb 0.28 -1.60 -0.01 0.00 -1.05 0.00 0.00 32.46 30.08 2kne n ARG 74 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2kne n LYS 75 N -1.97 3.57 -0.47 2.89 3.00 0.84 -4.46 118.16 121.56 2kne n LYS 75 Ca 0.02 -2.73 0.08 0.00 -0.00 0.00 0.00 58.31 55.68 2kne n LYS 75 Cb 0.44 -2.94 0.27 0.00 0.00 0.00 0.00 35.03 32.79 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 4.10 3.32 -1.29 1.64 2.81 -1.26 -4.94 117.12 121.50 2kne n MET 76 Ca 0.62 -2.71 -0.44 0.00 -1.81 0.00 0.00 57.70 53.36 2kne n MET 76 Cb 0.30 -1.77 -0.02 0.00 -0.71 0.00 0.00 33.22 31.02 2kne n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2kne n LYS 77 N 0.21 0.00 0.00 0.03 4.81 -1.26 -4.91 118.16 117.04 2kne n LYS 77 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 2kne n LYS 77 Cb 0.82 -0.93 0.00 0.00 0.02 0.00 0.00 35.03 34.93 2kne n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2kne n ASP 78 N 1.94 0.00 -2.94 3.14 8.00 -1.26 -4.98 116.55 120.45 2kne n ASP 78 Ca 0.16 0.96 -0.07 0.00 0.71 0.00 0.00 54.79 56.55 2kne n ASP 78 Cb 0.26 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 40.89 2kne n ASP 78 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2kne n THR 79 N -1.93-10.51 -1.68 -3.53 -1.04 -1.26 -4.84 114.28 89.47 2kne n THR 79 Ca 0.00 0.56 -0.44 0.00 -2.04 0.00 0.00 64.05 62.13 2kne n THR 79 Cb 0.00 -7.02 -0.04 0.00 -1.82 0.00 0.00 70.33 61.45 2kne n THR 79 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2kne n ASP 80 N -0.71 3.66 0.25 8.00 8.00 -1.26 -4.73 116.55 129.76 2kne n ASP 80 Ca 0.07 1.02 0.00 0.00 0.71 0.00 0.00 54.79 56.59 2kne n ASP 80 Cb 0.48 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 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 5.07 0.00 -0.04 -2.24 7.64 -1.26 0.69 113.62 123.48 2kne n SER 81 Ca 0.18 0.38 -0.07 0.00 1.01 0.00 0.00 58.87 60.38 2kne n SER 81 Cb 0.33 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.64 -0.99 1.43 4.39 -2.01 -3.11 114.58 114.93 2kne h GLU 82 Ca 0.00 -0.28 0.19 0.00 0.34 0.00 0.00 59.36 59.61 2kne h GLU 82 Cb 1.71 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 30.24 2kne h GLU 82 CO 0.00 0.87 0.61 1.49 -1.16 0.00 0.00 179.01 180.82 2kne h GLU 83 N 0.55 0.70 -0.01 2.33 4.81 -0.07 0.16 114.58 123.05 2kne h GLU 83 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2kne h GLU 83 Cb 0.79 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2kne h GLU 83 CO 0.06 0.46 -0.13 -0.85 -0.73 0.00 0.00 179.01 177.82 2kne n GLU 84 N -4.72 0.80 0.00 1.92 0.28 -1.18 -4.04 120.64 113.70 2kne n GLU 84 Ca 0.23 -0.33 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 2kne n GLU 84 Cb 0.59 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.97 2kne n GLU 84 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2kne n ILE 85 N -0.81 0.00 0.14 3.84 2.08 0.57 -2.79 119.36 122.38 2kne n ILE 85 Ca 0.15 0.87 -0.14 0.00 0.56 0.00 0.00 62.75 64.18 2kne n ILE 85 Cb 0.29 -1.72 -0.08 0.00 -0.75 0.00 0.00 39.64 37.39 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 -0.26 -0.88 0.38 3.08 -1.77 -2.95 114.38 111.99 2kne h ARG 86 Ca 0.00 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.18 2kne h ARG 86 Cb 0.00 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.04 2kne h ARG 86 CO 0.00 -0.16 0.57 1.05 -1.07 0.00 0.00 179.97 180.36 2kne h GLU 87 N -0.28 0.78 0.00 0.04 -0.00 -1.76 0.26 114.58 113.61 2kne h GLU 87 Ca -0.03 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.36 59.29 2kne h GLU 87 Cb 0.21 -0.18 -0.00 0.00 -0.00 0.00 0.00 28.75 28.79 2kne h GLU 87 CO 0.04 0.51 -0.01 0.00 -0.00 0.00 0.00 179.01 179.56 2kne h ALA 88 N 1.58 1.22 -0.02 1.06 0.00 -1.34 -2.36 119.26 119.40 2kne h ALA 88 Ca 0.42 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 2kne h ALA 88 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kne h ALA 88 CO -0.18 0.01 -0.11 0.35 0.00 0.00 0.00 179.25 179.31 2kne h PHE 89 N 0.00 0.15 -0.83 0.00 3.57 -0.47 -3.10 116.94 116.26 2kne h PHE 89 Ca -0.00 -0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.52 2kne h PHE 89 Cb 0.03 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.68 2kne h PHE 89 CO 0.00 0.78 0.48 -0.09 -2.23 0.00 0.00 178.31 177.25 2kne h ARG 90 N -0.52 0.79 -0.39 1.11 2.43 -1.36 0.38 114.38 116.81 2kne h ARG 90 Ca -0.01 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 2kne h ARG 90 Cb 0.79 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2kne h ARG 90 CO 0.02 0.52 0.12 0.28 -1.51 0.00 0.00 179.97 179.40 2kne h VAL 91 N 0.81 1.22 -0.38 0.20 2.07 -1.62 -3.03 116.25 115.52 2kne h VAL 91 Ca 0.40 -0.72 -0.15 0.00 0.82 0.00 0.00 66.70 67.05 2kne h VAL 91 Cb 0.35 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2kne h VAL 91 CO -0.24 0.25 -0.35 -0.26 0.02 0.00 0.00 177.57 176.99 2kne h PHE 92 N 0.49 1.04 -2.07 1.57 -1.00 -1.27 -3.32 116.94 112.38 2kne h PHE 92 Ca 0.13 -0.29 -0.71 0.00 2.81 0.00 0.00 57.97 59.90 2kne h PHE 92 Cb 0.27 -0.22 -0.16 0.00 3.61 0.00 0.00 35.95 39.44 2kne h PHE 92 CO 0.01 1.09 1.29 0.34 -1.61 0.00 0.00 178.31 179.43 2kne s ASP 93 N -6.82 6.90 0.12 2.17 -1.08 0.13 -4.60 116.67 113.48 2kne s ASP 93 Ca -0.10 -2.60 -0.20 0.00 -0.52 0.00 0.00 52.55 49.13 2kne s ASP 93 Cb 0.12 -2.42 -0.07 0.00 -1.46 0.00 0.00 42.92 39.08 2kne s ASP 93 CO 0.87 -0.91 1.76 0.50 0.52 0.00 0.00 175.17 177.90 2kne h LYS 94 N 7.80 0.17 -0.21 4.34 3.64 -1.67 -2.73 116.57 127.91 2kne h LYS 94 Ca 0.28 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2kne h LYS 94 Cb 0.92 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2kne h LYS 94 CO 1.23 0.11 0.00 -0.40 -2.27 0.00 0.00 179.45 178.12 2kne n ASP 95 N -5.02 1.91 -3.83 4.20 5.75 -1.26 -4.94 116.55 113.37 2kne n ASP 95 Ca -0.04 -1.78 -0.24 0.00 -0.01 0.00 0.00 54.79 52.73 2kne n ASP 95 Cb 0.05 -0.14 0.01 0.00 -1.03 0.00 0.00 41.12 40.02 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 1.17 -0.30 0.66 6.12 0.00 -1.03 -4.85 105.19 106.96 2kne n GLY 96 Ca 0.16 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.43 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 1.98 0.00 1.61 2.04 -1.26 -4.90 115.26 111.73 2kne n ASN 97 Ca -0.25 -1.77 0.00 0.00 -0.44 0.00 0.00 54.58 52.12 2kne n ASN 97 Cb 0.66 -0.13 0.00 0.00 -2.53 0.00 0.00 39.78 37.77 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 0.83 3.02 4.83 0.00 -1.26 -5.03 105.19 108.77 2kne n GLY 98 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2kne n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kne s TYR 99 N -3.26 0.40 -0.34 1.61 1.51 -1.26 -4.42 117.35 111.59 2kne s TYR 99 Ca 0.00 -0.64 -0.18 0.00 -1.01 0.00 0.00 57.07 55.24 2kne s TYR 99 Cb 0.00 -0.27 -0.01 0.00 -0.11 0.00 0.00 41.96 41.57 2kne s TYR 99 CO 0.00 -0.21 0.49 0.42 -1.11 0.00 0.00 175.55 175.14 2kne s ILE 100 N -1.99 5.05 0.28 2.71 1.01 -0.37 -4.68 121.20 123.20 2kne s ILE 100 Ca -0.10 0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.79 2kne s ILE 100 Cb -0.06 -3.92 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 2kne s ILE 100 CO -0.03 -0.16 0.64 -0.55 0.00 0.00 0.00 174.94 174.85 2kne s SER 101 N 1.74 6.67 0.18 3.58 0.15 -1.26 -2.66 113.70 122.09 2kne s SER 101 Ca 0.18 1.08 -0.13 0.00 0.70 0.00 0.00 55.95 57.77 2kne s SER 101 Cb -0.16 -2.29 0.13 0.00 -1.71 0.00 0.00 66.02 61.99 2kne s SER 101 CO 0.13 -0.16 1.79 0.00 1.20 0.00 0.00 173.24 176.20 2kne h ALA 102 N 2.30 0.64 -0.95 5.45 0.00 -1.97 -1.64 119.26 123.09 2kne h ALA 102 Ca -0.47 0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.59 2kne h ALA 102 Cb 1.17 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 2kne h ALA 102 CO 0.67 -0.09 0.57 0.00 0.00 0.00 0.00 179.25 180.40 2kne h ALA 103 N 1.27 1.44 -0.58 0.00 0.00 -2.00 -0.17 119.26 119.21 2kne h ALA 103 Ca 0.22 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2kne h ALA 103 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2kne h ALA 103 CO -0.15 0.12 0.08 0.93 0.00 0.00 0.00 179.25 180.23 2kne h GLU 104 N 0.87 0.97 -0.44 0.00 5.08 -1.65 -3.04 114.58 116.37 2kne h GLU 104 Ca 0.48 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2kne h GLU 104 Cb 0.55 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2kne h GLU 104 CO -0.29 0.93 0.15 1.25 -1.00 0.00 0.00 179.01 180.05 2kne h LEU 105 N 0.87 0.62 -0.87 1.33 5.85 -0.25 -3.05 115.31 119.81 2kne h LEU 105 Ca 0.18 -0.19 0.23 0.00 0.84 0.00 0.00 57.88 58.93 2kne h LEU 105 Cb 0.43 -0.16 -0.14 0.00 0.37 0.00 0.00 40.66 41.16 2kne h LEU 105 CO 0.01 0.65 0.23 -0.09 -0.34 0.00 0.00 178.44 178.90 2kne h ARG 106 N 0.56 0.20 0.00 1.25 2.43 -1.00 0.74 114.38 118.57 2kne h ARG 106 Ca 0.14 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2kne h ARG 106 Cb 0.24 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2kne h ARG 106 CO -0.01 0.14 -0.11 1.25 -1.51 0.00 0.00 179.97 179.73 2kne h HIS 107 N 0.21 0.00 -0.89 2.20 2.76 -1.57 -2.65 115.15 115.20 2kne h HIS 107 Ca 0.54 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.75 2kne h HIS 107 Cb 1.08 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.99 2kne h HIS 107 CO -0.27 0.11 0.58 0.28 -1.30 0.00 0.00 177.93 177.32 2kne h VAL 108 N 0.00 1.12 -0.62 5.26 2.07 0.45 -2.64 116.25 121.89 2kne h VAL 108 Ca -0.00 -0.38 0.12 0.00 0.82 0.00 0.00 66.70 67.26 2kne h VAL 108 Cb 0.20 -0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 29.81 2kne h VAL 108 CO 0.01 0.20 0.14 0.24 0.02 0.00 0.00 177.57 178.19 2kne h MET 109 N 1.10 0.27 -0.89 1.57 2.07 -1.47 -1.35 114.93 116.23 2kne h MET 109 Ca 0.36 -0.02 0.07 0.00 -2.07 0.00 0.00 59.70 58.04 2kne h MET 109 Cb 0.04 -0.06 -0.06 0.00 -1.87 0.00 0.00 31.60 29.65 2kne h MET 109 CO -0.13 0.18 0.55 1.15 1.07 0.00 0.00 176.91 179.73 2kne h THR 110 N 0.27 1.04 -0.63 2.22 2.02 -1.61 0.38 112.91 116.61 2kne h THR 110 Ca 0.33 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 2kne h THR 110 Cb 0.50 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2kne h THR 110 CO -0.41 0.18 0.10 0.78 0.37 0.00 0.00 175.52 176.54 2kne h ASN 111 N 1.00 1.00 1.34 4.18 2.35 -1.23 -2.77 115.58 121.44 2kne h ASN 111 Ca 0.39 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2kne h ASN 111 Cb 0.19 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.30 2kne h ASN 111 CO -0.18 1.00 -0.11 0.18 -1.65 0.00 0.00 177.43 176.68 2kne n LEU 112 N -4.27 0.75 -0.49 1.61 4.77 -0.62 -4.94 117.00 113.81 2kne n LEU 112 Ca 0.03 0.51 -0.04 0.00 -0.03 0.00 0.00 56.01 56.48 2kne n LEU 112 Cb 0.28 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2kne n LEU 112 CO 0.42 -0.15 -0.05 0.61 -1.33 0.00 0.00 177.39 176.90 2kne n GLY 113 N 1.33 0.22 0.13 -0.72 0.00 0.12 -4.95 105.19 101.32 2kne n GLY 113 Ca 0.05 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.02 0.00 -6.70 1.61 4.39 -1.66 -3.48 114.58 108.72 2kne h GLU 114 Ca -0.10 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.07 2kne h GLU 114 Cb 1.07 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.74 2kne h GLU 114 CO 0.11 0.19 -0.99 1.63 -1.16 0.00 0.00 179.01 178.80 2kne n LYS 115 N -2.92 -0.62 -2.76 2.33 5.02 -1.26 -4.90 118.16 113.05 2kne n LYS 115 Ca -0.02 0.25 -0.34 0.00 -2.02 0.00 0.00 58.31 56.17 2kne n LYS 115 Cb 0.68 -3.00 -0.06 0.00 -0.02 0.00 0.00 35.03 32.63 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 -6.97 4.05 0.86 -0.35 1.43 -1.26 -5.08 118.68 111.36 2kne s LEU 116 Ca 0.45 1.78 -0.12 0.00 -1.03 0.00 0.00 54.13 55.22 2kne s LEU 116 Cb -0.22 -4.38 0.14 0.00 0.03 0.00 0.00 46.19 41.76 2kne s LEU 116 CO 0.93 -0.34 1.20 0.42 0.23 0.00 0.00 176.35 178.79 2kne s THR 117 N -1.97 2.06 0.19 5.49 -4.23 -1.26 -4.86 115.64 111.07 2kne s THR 117 Ca 0.59 -0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.87 2kne s THR 117 Cb -0.13 -2.94 0.11 0.00 1.34 0.00 0.00 72.50 70.88 2kne s THR 117 CO 0.18 0.00 1.81 0.44 -0.54 0.00 0.00 174.62 176.51 2kne h ASP 118 N -1.20 0.54 -0.05 3.99 3.32 -1.99 -1.28 116.42 119.75 2kne h ASP 118 Ca -0.44 0.02 0.02 0.00 0.02 0.00 0.00 57.03 56.65 2kne h ASP 118 Cb 1.27 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 2kne h ASP 118 CO 0.48 0.37 -0.06 -0.08 -1.72 0.00 0.00 179.24 178.23 2kne h GLU 119 N 0.67 -0.08 -0.04 3.56 4.81 -2.00 -1.74 114.58 119.77 2kne h GLU 119 Ca 0.25 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 2kne h GLU 119 Cb 0.09 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2kne h GLU 119 CO -0.14 -0.05 -0.40 0.93 -0.73 0.00 0.00 179.01 178.62 2kne h GLU 120 N -0.08 0.08 -0.56 1.92 4.39 -1.88 -1.51 114.58 116.94 2kne h GLU 120 Ca 0.04 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 2kne h GLU 120 Cb 0.14 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2kne h GLU 120 CO -0.10 0.47 0.16 0.28 -1.16 0.00 0.00 179.01 178.67 2kne h VAL 121 N 0.07 1.24 -0.44 3.13 2.07 -0.88 -2.56 116.25 118.88 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 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2kne h VAL 121 CO 0.06 0.31 -0.15 -0.78 0.02 0.00 0.00 177.57 177.03 2kne h ASP 122 N 0.79 0.82 -0.23 0.57 1.82 -1.04 -3.21 116.42 115.95 2kne h ASP 122 Ca 0.18 -0.27 0.01 0.00 -0.39 0.00 0.00 57.03 56.56 2kne h ASP 122 Cb 0.30 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 2kne h ASP 122 CO -0.00 0.97 0.12 -0.33 -1.61 0.00 0.00 179.24 178.39 2kne h GLU 123 N 0.73 0.25 -0.58 0.28 5.08 -0.90 -2.43 114.58 117.02 2kne h GLU 123 Ca 0.11 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 2kne h GLU 123 Cb 0.65 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 2kne h GLU 123 CO 0.05 0.17 0.24 0.52 -1.00 0.00 0.00 179.01 178.98 2kne h MET 124 N 0.26 0.43 -0.53 2.33 2.86 -1.48 -1.80 114.93 117.01 2kne h MET 124 Ca 0.09 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2kne h MET 124 Cb 0.01 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2kne h MET 124 CO -0.05 0.28 0.34 0.82 1.06 0.00 0.00 176.91 179.36 2kne h ILE 125 N 0.44 1.11 -1.00 -1.22 1.08 -1.51 -2.39 117.51 114.03 2kne h ILE 125 Ca 0.28 -0.24 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 2kne h ILE 125 Cb 0.30 0.36 -0.06 0.00 -3.07 0.00 0.00 36.82 34.35 2kne h ILE 125 CO -0.26 0.13 0.65 -0.09 -0.69 0.00 0.00 178.15 177.89 2kne h ARG 126 N 0.69 1.21 -0.92 2.37 2.43 -0.87 0.35 114.38 119.64 2kne h ARG 126 Ca 0.20 -0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.37 2kne h ARG 126 Cb -0.05 -0.27 -0.07 0.00 -0.42 0.00 0.00 29.97 29.16 2kne h ARG 126 CO -0.06 0.80 0.58 0.93 -1.51 0.00 0.00 179.97 180.71 2kne h GLU 127 N 1.24 1.00 0.00 0.20 5.08 -0.85 -2.59 114.58 118.67 2kne h GLU 127 Ca 0.40 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2kne h GLU 127 Cb 0.04 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2kne h GLU 127 CO -0.14 0.66 -1.08 0.00 -1.00 0.00 0.00 179.01 177.46 2kne n ALA 128 N -2.36 2.98 -2.23 3.43 0.00 -0.97 -4.78 120.51 116.58 2kne n ALA 128 Ca 0.14 -0.34 -0.32 0.00 0.00 0.00 0.00 53.44 52.92 2kne n ALA 128 Cb 0.21 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 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 -4.50 5.64 0.26 0.00 2.15 0.08 -4.75 116.67 115.54 2kne s ASP 129 Ca 0.01 -1.16 0.24 0.00 0.43 0.00 0.00 52.55 52.08 2kne s ASP 129 Cb 0.13 -2.57 0.98 0.00 -0.30 0.00 0.00 42.92 41.16 2kne s ASP 129 CO 0.80 -2.33 1.72 0.00 -0.17 0.00 0.00 175.17 175.20 2kne n ILE 130 N 7.48 0.80 -3.87 4.11 3.06 -1.26 -4.68 119.36 125.00 2kne n ILE 130 Ca 0.39 0.19 -0.11 0.00 -2.50 0.00 0.00 62.75 60.72 2kne n ILE 130 Cb 0.48 -1.12 -0.12 0.00 0.54 0.00 0.00 39.64 39.42 2kne n ILE 130 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2kne s ASP 131 N -4.30 -0.01 -0.23 9.51 -4.77 -1.26 -5.06 116.67 110.55 2kne s ASP 131 Ca 0.05 -0.04 -0.04 0.00 -3.30 0.00 0.00 52.55 49.22 2kne s ASP 131 Cb 0.09 0.19 -0.13 0.00 -1.09 0.00 0.00 42.92 41.99 2kne s ASP 131 CO 0.41 -0.18 2.26 0.61 0.70 0.00 0.00 175.17 178.98 2kne n GLY 132 N 2.32 2.40 0.00 2.12 0.00 -1.26 -4.17 105.19 106.60 2kne n GLY 132 Ca -0.17 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 3.08 0.56 0.00 1.61 5.75 -1.26 -4.95 116.55 121.34 2kne n ASP 133 Ca 0.30 -0.34 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 2kne n ASP 133 Cb 0.43 0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 2kne n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kne n GLY 134 N 1.50 0.75 3.13 6.12 0.00 -1.26 -5.00 105.19 110.43 2kne n GLY 134 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2kne n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kne s GLN 135 N -0.20 0.73 -0.30 1.61 -0.21 -1.26 -4.81 119.66 115.22 2kne s GLN 135 Ca 0.00 -1.05 -0.11 0.00 0.02 0.00 0.00 55.36 54.22 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 -2.28 5.22 0.81 1.09 1.01 -1.09 -4.90 120.40 120.26 2kne s VAL 136 Ca 0.01 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 2kne s VAL 136 Cb -0.04 -3.55 0.13 0.00 0.00 0.00 0.00 36.38 32.93 2kne s VAL 136 CO -0.01 0.17 1.13 0.21 0.00 0.00 0.00 175.10 176.60 2kne s ASN 137 N 1.74 4.04 0.22 3.32 2.47 -1.26 -1.24 114.94 124.22 2kne s ASN 137 Ca 0.07 0.15 -0.09 0.00 0.42 0.00 0.00 52.86 53.41 2kne s ASN 137 Cb -0.16 -0.49 0.17 0.00 -1.45 0.00 0.00 41.25 39.31 2kne s ASN 137 CO 0.10 -2.10 1.84 0.22 -3.72 0.00 0.00 177.10 173.43 2kne h TYR 138 N -0.98 1.12 -0.48 0.43 3.20 -1.99 -1.59 116.97 116.69 2kne h TYR 138 Ca -0.42 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 2kne h TYR 138 Cb 1.27 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 2kne h TYR 138 CO -0.37 0.78 0.24 1.05 -1.64 0.00 0.00 178.16 178.22 2kne h GLU 139 N 1.13 0.69 -0.56 1.82 4.11 -1.96 -1.71 114.58 118.10 2kne h GLU 139 Ca 0.29 -0.10 -0.06 0.00 0.07 0.00 0.00 59.36 59.56 2kne h GLU 139 Cb 0.03 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2kne h GLU 139 CO -0.05 0.57 0.10 0.93 0.07 0.00 0.00 179.01 180.64 2kne h GLU 140 N 0.63 0.89 -0.41 1.06 5.08 -1.80 -1.49 114.58 118.54 2kne h GLU 140 Ca 0.17 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 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 0.82 0.24 0.35 -1.00 0.00 0.00 179.01 179.40 2kne h PHE 141 N 0.84 0.55 -0.14 4.33 3.57 -0.91 -2.86 116.94 122.32 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 0.36 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2kne h PHE 141 CO 0.02 0.40 0.01 0.28 -2.23 0.00 0.00 178.31 176.80 2kne h VAL 142 N 0.54 1.23 -0.63 1.41 2.07 -1.07 -2.47 116.25 117.33 2kne h VAL 142 Ca 0.15 -0.76 0.13 0.00 0.82 0.00 0.00 66.70 67.03 2kne h VAL 142 Cb 0.02 1.46 -0.12 0.00 -1.52 0.00 0.00 31.29 31.13 2kne h VAL 142 CO -0.03 0.22 -0.16 -0.61 0.02 0.00 0.00 177.57 177.02 2kne h GLN 143 N 0.01 -0.00 -0.20 1.57 5.75 -1.17 0.30 115.11 121.36 2kne h GLN 143 Ca 0.04 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.40 2kne h GLN 143 Cb 0.33 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 2kne h GLN 143 CO 0.00 -0.00 -0.45 0.52 -2.65 0.00 0.00 178.83 176.25 2kne h MET 144 N -0.00 0.51 -0.18 1.69 2.86 -1.46 0.67 114.93 119.02 2kne h MET 144 Ca 0.30 -0.28 -0.13 0.00 -2.06 0.00 0.00 59.70 57.53 2kne h MET 144 Cb 0.47 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2kne h MET 144 CO -0.65 0.87 -0.41 0.52 1.06 0.00 0.00 176.91 178.29 2kne h MET 145 N 0.41 0.59 0.05 1.72 2.86 -0.75 -3.31 114.93 116.50 2kne h MET 145 Ca 0.03 -0.40 -0.28 0.00 -2.06 0.00 0.00 59.70 56.99 2kne h MET 145 Cb 0.96 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 2kne h MET 145 CO 0.08 1.01 -1.47 1.15 1.06 0.00 0.00 176.91 178.75 2kne h THR 146 N 0.25 1.19 -2.42 2.22 2.02 -0.45 -3.46 112.91 112.26 2kne h THR 146 Ca -0.00 -2.91 -0.60 0.00 0.77 0.00 0.00 66.41 63.67 2kne h THR 146 Cb 1.02 2.67 0.07 0.00 -1.74 0.00 0.00 68.15 70.18 2kne h THR 146 CO 0.09 0.77 0.59 0.00 0.37 0.00 0.00 175.52 177.34 2kne n ALA 147 N -2.57 0.76 -1.65 6.16 0.00 0.23 -5.07 120.51 118.37 2kne n ALA 147 Ca -0.13 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2kne n ALA 147 Cb 1.02 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2kne n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86