#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksq h LEU 3 N 0.00 0.18 -0.29 0.99 3.38 -2.05 -2.61 115.31 114.91 2ksq h LEU 3 Ca 0.00 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 2ksq h LEU 3 Cb 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2ksq h LEU 3 CO 0.00 0.61 -0.06 0.15 0.09 0.00 0.00 178.44 179.24 2ksq h PHE 4 N -0.25 0.61 0.37 1.13 3.04 -2.06 -2.91 116.94 116.87 2ksq h PHE 4 Ca 0.01 -0.13 -0.00 0.00 3.98 0.00 0.00 57.97 61.83 2ksq h PHE 4 Cb 0.56 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 2ksq h PHE 4 CO 0.09 0.73 -0.45 0.00 -2.02 0.00 0.00 178.31 176.66 2ksq h ALA 5 N 0.79 -0.95 -0.54 2.41 0.00 -2.00 -0.24 119.26 118.74 2ksq h ALA 5 Ca 0.07 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.00 2ksq h ALA 5 Cb 0.53 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2ksq h ALA 5 CO 0.03 -1.08 0.43 1.03 0.00 0.00 0.00 179.25 179.65 2ksq h SER 6 N -0.85 0.00 0.01 0.00 0.87 -1.52 -1.14 113.55 110.91 2ksq h SER 6 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2ksq h SER 6 Cb 0.78 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2ksq h SER 6 CO -0.11 0.00 -0.01 0.50 -0.53 0.00 0.00 176.83 176.69 2ksq h LYS 7 N 0.00 -0.02 -0.37 2.24 1.63 -1.12 -2.50 116.57 116.44 2ksq h LYS 7 Ca 0.26 0.00 0.11 0.00 -0.85 0.00 0.00 60.65 60.16 2ksq h LYS 7 Cb 1.11 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 2ksq h LYS 7 CO -0.00 0.68 0.27 1.25 -3.45 0.00 0.00 179.45 178.20 2ksq h LEU 8 N -0.74 0.00 -0.20 5.20 6.46 0.05 0.91 115.31 126.99 2ksq h LEU 8 Ca -0.00 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.56 2ksq h LEU 8 Cb 0.71 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 2ksq h LEU 8 CO 0.00 0.00 -0.93 0.15 -0.62 0.00 0.00 178.44 177.05 2ksq h PHE 9 N 0.00 0.14 -0.23 1.25 3.57 -1.25 -3.27 116.94 117.16 2ksq h PHE 9 Ca 0.17 -0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 2ksq h PHE 9 Cb 0.71 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2ksq h PHE 9 CO 0.00 0.96 -0.23 0.66 -2.23 0.00 0.00 178.31 177.47 2ksq h SER 10 N 0.04 0.42 0.68 0.41 4.64 -0.35 -2.68 113.55 116.71 2ksq h SER 10 Ca -0.03 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 2ksq h SER 10 Cb 1.60 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.57 2ksq h SER 10 CO 0.13 0.65 -0.11 -0.55 -0.87 0.00 0.00 176.83 176.08 2ksq h ASN 11 N 0.38 0.00 -0.03 4.97 7.08 -1.52 -2.31 115.58 124.15 2ksq h ASN 11 Ca 0.06 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.15 2ksq h ASN 11 Cb 0.61 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.84 2ksq h ASN 11 CO 0.04 0.11 -0.42 0.25 -2.08 0.00 0.00 177.43 175.34 2ksq h LEU 12 N 0.00 0.59 0.00 6.14 6.46 -1.59 -3.14 115.31 123.76 2ksq h LEU 12 Ca -0.00 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 2ksq h LEU 12 Cb 0.49 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2ksq h LEU 12 CO 0.01 0.93 -1.03 2.22 -0.62 0.00 0.00 178.44 179.96 2ksq n PHE 13 N -4.02 0.83 0.00 1.25 -1.74 -1.10 -4.10 117.46 108.58 2ksq n PHE 13 Ca -0.02 0.24 0.10 0.00 -0.56 0.00 0.00 57.45 57.21 2ksq n PHE 13 Cb 0.52 -0.87 0.52 0.00 1.52 0.00 0.00 39.48 41.17 2ksq n PHE 13 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2ksq h GLY 14 N 4.08 0.43 -4.29 4.97 0.00 -1.37 -3.42 103.07 103.48 2ksq h GLY 14 Ca 0.00 -0.14 -0.53 0.00 0.00 0.00 0.00 47.33 46.66 2ksq h GLY 14 CO 0.00 0.11 0.83 -1.31 0.00 0.00 0.00 176.54 176.17 2ksq s ASN 15 N -6.50 6.51 -0.02 0.19 0.02 -1.25 -3.86 114.94 110.03 2ksq s ASN 15 Ca -0.07 2.81 0.02 0.00 -1.02 0.00 0.00 52.86 54.59 2ksq s ASN 15 Cb 0.19 -2.63 0.01 0.00 0.02 0.00 0.00 41.25 38.84 2ksq s ASN 15 CO 0.73 -0.81 -0.05 -0.75 0.02 0.00 0.00 177.10 176.23 2ksq s LYS 16 N -0.35 0.63 0.68 -0.60 2.47 -1.26 -5.02 119.74 116.29 2ksq s LYS 16 Ca 0.62 -0.16 -0.09 0.00 -1.56 0.00 0.00 55.97 54.77 2ksq s LYS 16 Cb -0.45 -0.63 0.02 0.00 -1.46 0.00 0.00 37.83 35.31 2ksq s LYS 16 CO 0.45 0.04 1.04 -1.83 0.16 0.00 0.00 175.35 175.20 2ksq s GLU 17 N 0.34 2.72 -0.04 4.03 -1.05 -1.26 -4.61 118.70 118.84 2ksq s GLU 17 Ca -0.04 0.21 0.06 0.00 -0.15 0.00 0.00 54.97 55.06 2ksq s GLU 17 Cb -0.08 -2.11 -0.01 0.00 -0.44 0.00 0.00 34.13 31.49 2ksq s GLU 17 CO -0.00 -1.01 -0.23 -1.64 0.95 0.00 0.00 175.26 173.33 2ksq s MET 18 N -5.26 2.20 -0.26 -4.83 -1.94 -1.14 -4.96 119.30 103.11 2ksq s MET 18 Ca 0.57 -0.83 -0.10 0.00 -1.71 0.00 0.00 55.69 53.62 2ksq s MET 18 Cb -0.11 -1.95 -0.05 0.00 2.01 0.00 0.00 34.83 34.73 2ksq s MET 18 CO 0.49 0.40 0.16 1.03 -0.01 0.00 0.00 175.02 177.09 2ksq s ARG 19 N -0.26 3.93 0.07 2.03 0.52 -1.26 -0.97 118.95 123.00 2ksq s ARG 19 Ca 0.01 -0.34 0.05 0.00 -0.52 0.00 0.00 55.73 54.93 2ksq s ARG 19 Cb -0.12 -3.55 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 2ksq s ARG 19 CO 0.02 -0.10 -0.13 0.42 0.02 0.00 0.00 175.30 175.53 2ksq s ILE 20 N 1.50 1.02 0.01 1.52 1.09 0.13 0.11 121.20 126.59 2ksq s ILE 20 Ca 0.07 -1.26 0.03 0.00 -1.10 0.00 0.00 60.65 58.38 2ksq s ILE 20 Cb -0.15 -1.00 -0.01 0.00 -1.06 0.00 0.00 42.46 40.24 2ksq s ILE 20 CO 0.08 -0.25 -0.09 -0.22 -0.10 0.00 0.00 174.94 174.36 2ksq s LEU 21 N -1.70 2.10 -0.14 2.97 2.96 -1.12 -0.96 118.68 122.80 2ksq s LEU 21 Ca -0.03 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2ksq s LEU 21 Cb -0.10 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 2ksq s LEU 21 CO 0.02 0.02 -0.03 -0.04 -1.32 0.00 0.00 176.35 175.00 2ksq s MET 22 N -0.70 3.54 0.00 1.98 -1.94 0.10 0.42 119.30 122.71 2ksq s MET 22 Ca 0.00 -0.49 -0.14 0.00 -1.71 0.00 0.00 55.69 53.35 2ksq s MET 22 Cb -0.06 -2.90 0.02 0.00 2.01 0.00 0.00 34.83 33.91 2ksq s MET 22 CO 0.00 0.34 0.30 0.14 -0.01 0.00 0.00 175.02 175.79 2ksq s VAL 23 N 0.11 0.07 0.00 -6.03 -7.23 -1.13 -2.68 120.40 103.50 2ksq s VAL 23 Ca -0.00 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 2ksq s VAL 23 Cb -0.13 -0.71 0.00 0.00 0.56 0.00 0.00 36.38 36.10 2ksq s VAL 23 CO 0.02 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 2ksq n GLY 24 N 1.07 -1.35 0.00 2.32 0.00 -1.26 -1.01 105.19 104.96 2ksq n GLY 24 Ca -0.21 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2ksq n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ksq n LEU 25 N 0.00 0.00 -1.10 0.99 4.77 -1.26 -4.71 117.00 115.68 2ksq n LEU 25 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2ksq n LEU 25 Cb 0.00 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2ksq n LEU 25 CO 0.00 0.00 0.56 -0.67 -1.33 0.00 0.00 177.39 175.95 2ksq n ASP 26 N -0.54 2.76 0.00 -1.43 2.03 -1.26 -2.65 116.55 115.45 2ksq n ASP 26 Ca 0.00 -2.36 0.00 0.00 0.52 0.00 0.00 54.79 52.95 2ksq n ASP 26 Cb 0.00 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 2ksq n ASP 26 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ksq n GLY 27 N 0.12 0.00 0.10 0.27 0.00 -1.26 -4.90 105.19 99.52 2ksq n GLY 27 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 2ksq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ksq h ALA 28 N 0.00 -0.15 0.00 4.61 0.00 -1.87 -3.47 119.26 118.38 2ksq h ALA 28 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ksq h ALA 28 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2ksq h ALA 28 CO 0.00 -0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.18 2ksq n GLY 29 N -0.57 0.94 0.29 0.00 0.00 -1.26 -4.67 105.19 99.92 2ksq n GLY 29 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 2ksq n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ksq h LYS 30 N 0.00 0.82 -0.14 1.61 1.57 -1.95 -0.73 116.57 117.74 2ksq h LYS 30 Ca 0.00 -0.21 -0.23 0.00 -1.87 0.00 0.00 60.65 58.34 2ksq h LYS 30 Cb 0.00 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.22 2ksq h LYS 30 CO 0.00 0.80 -0.80 1.15 -0.57 0.00 0.00 179.45 180.03 2ksq h THR 31 N 0.77 1.28 -0.26 -0.16 2.02 -1.94 -2.53 112.91 112.08 2ksq h THR 31 Ca 0.15 -2.00 -0.07 0.00 0.77 0.00 0.00 66.41 65.26 2ksq h THR 31 Cb 0.42 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 2ksq h THR 31 CO 0.02 0.63 -0.11 0.74 0.37 0.00 0.00 175.52 177.17 2ksq h THR 32 N 0.52 1.29 0.10 3.16 2.02 -1.90 -2.56 112.91 115.54 2ksq h THR 32 Ca -0.06 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 2ksq h THR 32 Cb 1.43 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 2ksq h THR 32 CO 0.16 0.37 -0.05 0.58 0.37 0.00 0.00 175.52 176.95 2ksq h VAL 33 N 0.28 1.09 -0.07 3.16 2.07 -1.22 -2.66 116.25 118.90 2ksq h VAL 33 Ca 0.06 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.80 2ksq h VAL 33 Cb 0.61 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2ksq h VAL 33 CO 0.04 0.19 0.05 0.25 0.02 0.00 0.00 177.57 178.12 2ksq h LEU 34 N -0.51 0.00 -0.24 2.57 6.46 -1.54 -1.67 115.31 120.38 2ksq h LEU 34 Ca -0.01 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.54 2ksq h LEU 34 Cb 0.42 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 2ksq h LEU 34 CO 0.02 0.00 -0.90 1.88 -0.62 0.00 0.00 178.44 178.82 2ksq h TYR 35 N 0.00 0.43 -0.14 1.25 0.05 -1.40 -2.13 116.97 115.03 2ksq h TYR 35 Ca 0.03 -0.23 -0.11 0.00 0.05 0.00 0.00 58.73 58.47 2ksq h TYR 35 Cb 0.14 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.83 2ksq h TYR 35 CO 0.00 1.05 -0.32 -0.22 -1.05 0.00 0.00 178.16 177.62 2ksq h LYS 36 N 0.16 0.47 0.00 4.88 3.11 -0.96 0.52 116.57 124.75 2ksq h LYS 36 Ca -0.06 -0.31 -0.08 0.00 -2.81 0.00 0.00 60.65 57.38 2ksq h LYS 36 Cb 1.53 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.79 2ksq h LYS 36 CO 0.15 0.92 -0.40 1.25 -2.81 0.00 0.00 179.45 178.56 2ksq h LEU 37 N 0.08 0.00 0.08 5.20 6.46 -1.47 0.88 115.31 126.55 2ksq h LEU 37 Ca 0.00 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.41 2ksq h LEU 37 Cb 0.92 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.82 2ksq h LEU 37 CO 0.07 0.40 -1.98 2.29 -0.62 0.00 0.00 178.44 178.60 2ksq n LYS 38 N -3.53 0.72 -0.00 1.25 -0.00 -0.80 -4.45 118.16 111.34 2ksq n LYS 38 Ca -0.00 0.25 0.08 0.00 -0.00 0.00 0.00 58.31 58.65 2ksq n LYS 38 Cb 0.53 -1.71 -0.11 0.00 -0.00 0.00 0.00 35.03 33.74 2ksq n LYS 38 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2ksq n LEU 39 N -3.33 0.47 0.00 -5.58 0.00 0.18 -4.99 117.00 103.76 2ksq n LEU 39 Ca -0.29 -0.30 0.00 0.00 0.00 0.00 0.00 56.01 55.42 2ksq n LEU 39 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.47 2ksq n LEU 39 CO 0.42 0.12 0.00 0.61 0.00 0.00 0.00 177.39 178.54 2ksq n GLY 40 N 1.44 0.63 2.95 -3.96 0.00 0.31 -4.98 105.19 101.58 2ksq n GLY 40 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2ksq n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ksq s GLU 41 N -0.36 0.23 -0.11 1.61 0.41 -1.25 -4.99 118.70 114.24 2ksq s GLU 41 Ca 0.00 -0.42 -0.27 0.00 -0.41 0.00 0.00 54.97 53.87 2ksq s GLU 41 Cb 0.00 0.03 -0.02 0.00 -1.78 0.00 0.00 34.13 32.36 2ksq s GLU 41 CO 0.00 -0.02 0.89 0.08 -0.49 0.00 0.00 175.26 175.72 2ksq s VAL 42 N -0.95 4.87 0.42 2.63 1.01 -1.26 -4.21 120.40 122.91 2ksq s VAL 42 Ca -0.10 1.80 0.05 0.00 0.00 0.00 0.00 61.98 63.73 2ksq s VAL 42 Cb -0.07 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 2ksq s VAL 42 CO -0.01 0.07 0.03 0.27 0.00 0.00 0.00 175.10 175.46 2ksq s ILE 43 N 1.76 1.56 -0.26 2.22 -5.25 -1.26 -5.10 121.20 114.87 2ksq s ILE 43 Ca 0.43 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 57.80 2ksq s ILE 43 Cb -0.18 -2.72 -0.00 0.00 2.95 0.00 0.00 42.46 42.51 2ksq s ILE 43 CO 0.17 0.00 1.25 0.42 -1.79 0.00 0.00 174.94 174.99 2ksq s THR 44 N -2.89 4.25 0.37 8.37 -4.23 -1.26 -5.00 115.64 115.25 2ksq s THR 44 Ca 0.28 1.45 0.07 0.00 -1.18 0.00 0.00 61.69 62.32 2ksq s THR 44 Cb 0.07 -4.14 -0.01 0.00 1.34 0.00 0.00 72.50 69.76 2ksq s THR 44 CO 0.14 -0.36 0.42 0.42 -0.54 0.00 0.00 174.62 174.70 2ksq s THR 45 N 3.97 3.44 0.17 3.99 -4.23 -1.26 -5.12 115.64 116.60 2ksq s THR 45 Ca 0.54 -1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 59.77 2ksq s THR 45 Cb -0.18 -3.19 -0.00 0.00 1.34 0.00 0.00 72.50 70.48 2ksq s THR 45 CO 0.19 -0.10 0.33 0.27 -0.54 0.00 0.00 174.62 174.76 2ksq s ILE 46 N -2.30 0.06 -0.14 2.99 -4.36 -1.26 -5.11 121.20 111.08 2ksq s ILE 46 Ca 0.46 -1.26 -0.31 0.00 -0.26 0.00 0.00 60.65 59.28 2ksq s ILE 46 Cb -0.07 -1.77 -0.09 0.00 1.25 0.00 0.00 42.46 41.78 2ksq s ILE 46 CO 0.29 -0.27 2.07 -2.65 0.24 0.00 0.00 174.94 174.62 2ksq n PRO 47 N -0.24 2.12 -2.89 0.37 -0.02 -1.26 -4.93 135.00 128.16 2ksq n PRO 47 Ca -0.08 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 2ksq n PRO 47 Cb 0.63 -2.92 -0.04 0.00 -0.02 0.00 0.00 33.50 31.15 2ksq n PRO 47 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2ksq s THR 48 N 6.11 4.84 -0.40 3.45 -1.32 -1.26 -5.02 115.64 122.05 2ksq s THR 48 Ca 0.97 1.57 -0.21 0.00 -1.21 0.00 0.00 61.69 62.81 2ksq s THR 48 Cb -0.53 -4.12 0.01 0.00 -1.51 0.00 0.00 72.50 66.36 2ksq s THR 48 CO 0.43 -0.07 0.67 -0.51 -2.21 0.00 0.00 174.62 172.94 2ksq s ILE 49 N 2.82 4.82 0.00 5.08 1.10 -1.26 -4.42 121.20 129.34 2ksq s ILE 49 Ca 0.35 0.44 0.00 0.00 -0.51 0.00 0.00 60.65 60.93 2ksq s ILE 49 Cb -0.15 -4.16 0.00 0.00 0.15 0.00 0.00 42.46 38.29 2ksq s ILE 49 CO 0.07 -0.47 0.00 0.61 -2.11 0.00 0.00 174.94 173.04 2ksq n GLY 50 N 4.82 0.86 3.12 1.50 0.00 -1.26 -4.97 105.19 109.27 2ksq n GLY 50 Ca -0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 2ksq n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ksq s PHE 51 N 0.00 0.72 -0.16 1.61 -0.12 -1.26 -2.16 117.98 116.62 2ksq s PHE 51 Ca 0.00 -0.90 -0.04 0.00 -0.05 0.00 0.00 56.93 55.94 2ksq s PHE 51 Cb 0.00 -0.45 0.07 0.00 -0.63 0.00 0.00 43.02 42.01 2ksq s PHE 51 CO 0.00 -0.21 0.17 1.21 -0.05 0.00 0.00 175.22 176.34 2ksq s ASN 52 N -2.77 1.35 0.29 1.98 2.47 -0.79 -4.96 114.94 112.52 2ksq s ASN 52 Ca 0.07 -0.11 -0.15 0.00 0.42 0.00 0.00 52.86 53.09 2ksq s ASN 52 Cb 0.04 0.22 -0.09 0.00 -1.45 0.00 0.00 41.25 39.98 2ksq s ASN 52 CO -0.06 -0.30 0.71 -0.69 -3.72 0.00 0.00 177.10 173.04 2ksq s VAL 53 N 2.28 4.69 -0.04 -5.21 1.01 -1.26 0.09 120.40 121.96 2ksq s VAL 53 Ca 0.05 0.96 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 2ksq s VAL 53 Cb -0.14 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.61 2ksq s VAL 53 CO -0.09 -0.09 0.05 -0.70 0.00 0.00 0.00 175.10 174.27 2ksq s GLU 54 N -2.75 0.00 -0.46 2.72 2.56 -0.63 -4.95 118.70 115.19 2ksq s GLU 54 Ca 0.51 0.33 -0.23 0.00 0.00 0.00 0.00 54.97 55.58 2ksq s GLU 54 Cb -0.12 -0.54 0.03 0.00 2.00 0.00 0.00 34.13 35.50 2ksq s GLU 54 CO 0.18 -0.31 0.80 0.00 -0.56 0.00 0.00 175.26 175.37 2ksq s VAL 56 N 3.34 1.94 -0.20 0.00 1.01 -0.33 -5.01 120.40 121.15 2ksq s VAL 56 Ca 0.30 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 2ksq s VAL 56 Cb -0.12 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2ksq s VAL 56 CO 0.23 0.54 0.07 -1.10 0.00 0.00 0.00 175.10 174.84 2ksq s GLN 57 N 0.03 3.94 -0.13 2.72 -0.21 -1.26 0.12 119.66 124.87 2ksq s GLN 57 Ca -0.08 -0.36 -0.06 0.00 0.02 0.00 0.00 55.36 54.88 2ksq s GLN 57 Cb -0.15 -3.25 0.06 0.00 1.00 0.00 0.00 33.01 30.67 2ksq s GLN 57 CO 0.05 0.19 0.29 -0.47 -2.12 0.00 0.00 175.29 173.23 2ksq s TYR 58 N 0.59 -0.43 -1.35 0.91 5.04 0.18 -4.90 117.35 117.39 2ksq s TYR 58 Ca 0.04 0.96 -0.06 0.00 -2.44 0.00 0.00 57.07 55.57 2ksq s TYR 58 Cb -0.13 0.07 0.02 0.00 0.35 0.00 0.00 41.96 42.27 2ksq s TYR 58 CO 0.01 -0.30 1.02 0.00 -1.34 0.00 0.00 175.55 174.94 2ksq n ASN 60 N -3.01 -1.00 -4.81 0.00 5.15 -1.26 -4.99 115.26 105.34 2ksq n ASN 60 Ca -0.11 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.65 2ksq n ASN 60 Cb 0.60 -1.10 -0.05 0.00 -0.53 0.00 0.00 39.78 38.70 2ksq n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2ksq s ILE 61 N -2.57 4.28 -0.58 -1.44 1.01 0.03 -4.90 121.20 117.03 2ksq s ILE 61 Ca 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 60.65 59.18 2ksq s ILE 61 Cb 0.00 -3.34 0.15 0.00 0.01 0.00 0.00 42.46 39.28 2ksq s ILE 61 CO 0.00 -0.34 0.39 -0.55 0.00 0.00 0.00 174.94 174.44 2ksq s SER 62 N -3.84 5.21 -0.20 3.58 0.15 -1.26 0.49 113.70 117.82 2ksq s SER 62 Ca 0.33 -2.70 -0.28 0.00 0.70 0.00 0.00 55.95 54.00 2ksq s SER 62 Cb -0.08 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 2ksq s SER 62 CO 0.25 -0.40 0.99 -0.36 1.20 0.00 0.00 173.24 174.92 2ksq s PHE 63 N 0.16 3.37 -0.33 3.44 0.40 0.32 -2.90 117.98 122.44 2ksq s PHE 63 Ca 0.15 1.43 -0.11 0.00 -0.60 0.00 0.00 56.93 57.81 2ksq s PHE 63 Cb -0.21 -3.21 -0.00 0.00 0.51 0.00 0.00 43.02 40.11 2ksq s PHE 63 CO -0.03 -0.41 0.19 -0.08 0.70 0.00 0.00 175.22 175.59 2ksq s THR 64 N 2.86 4.79 -0.30 0.64 -1.32 -0.14 -1.19 115.64 120.98 2ksq s THR 64 Ca 0.43 -0.46 -0.02 0.00 -1.21 0.00 0.00 61.69 60.44 2ksq s THR 64 Cb -0.16 -3.50 0.05 0.00 -1.51 0.00 0.00 72.50 67.39 2ksq s THR 64 CO 0.09 -0.02 0.01 -0.69 -2.21 0.00 0.00 174.62 171.79 2ksq s VAL 65 N 1.63 3.00 -0.19 5.08 1.01 -0.76 0.18 120.40 130.35 2ksq s VAL 65 Ca 0.05 -1.42 -0.15 0.00 0.00 0.00 0.00 61.98 60.46 2ksq s VAL 65 Cb -0.18 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2ksq s VAL 65 CO 0.08 -0.13 0.34 0.26 0.00 0.00 0.00 175.10 175.64 2ksq s TRP 66 N 1.25 3.40 -0.43 5.22 0.51 -0.13 -1.61 118.94 127.14 2ksq s TRP 66 Ca -0.05 0.57 -0.10 0.00 -2.12 0.00 0.00 56.10 54.41 2ksq s TRP 66 Cb -0.20 -2.43 0.08 0.00 -0.81 0.00 0.00 33.47 30.11 2ksq s TRP 66 CO -0.01 0.09 0.29 -0.51 -0.51 0.00 0.00 176.95 176.30 2ksq s ASP 67 N 0.83 5.71 -0.04 2.95 1.01 0.11 0.02 116.67 127.26 2ksq s ASP 67 Ca 0.17 -1.55 -0.13 0.00 0.71 0.00 0.00 52.55 51.75 2ksq s ASP 67 Cb -0.14 -2.01 -0.05 0.00 1.01 0.00 0.00 42.92 41.72 2ksq s ASP 67 CO 0.06 -0.58 0.34 -0.69 0.21 0.00 0.00 175.17 174.51 2ksq s VAL 68 N 1.44 5.17 0.23 -1.27 1.01 -1.09 -1.88 120.40 124.01 2ksq s VAL 68 Ca 0.04 0.67 -0.31 0.00 0.00 0.00 0.00 61.98 62.38 2ksq s VAL 68 Cb -0.24 -3.64 -0.13 0.00 0.00 0.00 0.00 36.38 32.37 2ksq s VAL 68 CO 0.02 0.57 1.41 0.61 0.00 0.00 0.00 175.10 177.71 2ksq n GLY 69 N 2.03 0.79 0.03 4.51 0.00 -0.92 -4.63 105.19 106.99 2ksq n GLY 69 Ca -0.15 0.51 0.13 0.00 0.00 0.00 0.00 46.02 46.50 2ksq n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksq n GLY 70 N 2.22 -1.45 3.52 -0.02 0.00 -1.08 -4.29 105.19 104.08 2ksq n GLY 70 Ca 0.12 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 2ksq n GLY 70 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ksq n GLN 71 N -1.76 0.83 -0.07 1.61 -0.06 -1.25 -4.35 117.38 112.34 2ksq n GLN 71 Ca 0.06 0.30 -0.07 0.00 -2.00 0.00 0.00 57.00 55.29 2ksq n GLN 71 Cb 0.37 -1.76 -0.01 0.00 -4.06 0.00 0.00 30.24 24.79 2ksq n GLN 71 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 2ksq h ASP 72 N 0.92 -0.45 -0.15 1.69 3.58 -1.95 0.75 116.42 120.81 2ksq h ASP 72 Ca -0.43 0.11 0.04 0.00 0.42 0.00 0.00 57.03 57.17 2ksq h ASP 72 Cb 1.38 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.67 2ksq h ASP 72 CO 0.52 -0.17 0.15 0.03 -2.88 0.00 0.00 179.24 176.90 2ksq h ARG 73 N -0.10 0.00 0.00 0.28 2.47 -1.97 -1.57 114.38 113.49 2ksq h ARG 73 Ca 0.14 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 2ksq h ARG 73 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2ksq h ARG 73 CO -0.34 0.00 -1.33 -0.89 0.56 0.00 0.00 179.97 177.97 2ksq n ILE 74 N -3.91 0.00 -0.25 2.04 5.41 -0.25 -4.46 119.36 117.93 2ksq n ILE 74 Ca 0.01 -0.22 0.16 0.00 1.00 0.00 0.00 62.75 63.70 2ksq n ILE 74 Cb 0.27 0.59 0.46 0.00 -0.71 0.00 0.00 39.64 40.24 2ksq n ILE 74 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2ksq h ARG 75 N 0.00 0.50 0.00 0.38 1.12 0.15 0.74 114.38 117.28 2ksq h ARG 75 Ca 0.00 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 2ksq h ARG 75 Cb 0.65 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 30.49 2ksq h ARG 75 CO 0.00 0.33 -0.05 0.66 -3.11 0.00 0.00 179.97 177.80 2ksq h SER 76 N 0.52 0.00 0.40 -3.80 4.64 -1.78 -1.30 113.55 112.23 2ksq h SER 76 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2ksq h SER 76 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2ksq h SER 76 CO -0.20 0.05 0.00 0.18 -0.87 0.00 0.00 176.83 175.99 2ksq n LEU 77 N -4.17 0.00 -0.03 5.97 4.32 0.25 -3.28 117.00 120.06 2ksq n LEU 77 Ca -0.03 0.31 -0.07 0.00 -0.02 0.00 0.00 56.01 56.20 2ksq n LEU 77 Cb 0.14 -0.31 0.10 0.00 -1.62 0.00 0.00 43.42 41.73 2ksq n LEU 77 CO 0.32 -0.11 0.63 -0.50 -1.22 0.00 0.00 177.39 176.51 2ksq h TRP 78 N 0.00 0.73 -0.20 -1.77 6.55 -1.33 -2.84 115.95 117.08 2ksq h TRP 78 Ca 0.00 -0.20 0.00 0.00 0.95 0.00 0.00 58.89 59.64 2ksq h TRP 78 Cb 0.20 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 28.34 2ksq h TRP 78 CO 0.00 0.89 0.00 -2.13 -1.05 0.00 0.00 178.44 176.15 2ksq n ARG 79 N -4.06 1.80 0.00 0.49 0.63 -1.21 -3.63 116.66 110.68 2ksq n ARG 79 Ca -0.01 -0.87 0.00 0.00 -0.92 0.00 0.00 57.85 56.05 2ksq n ARG 79 Cb 0.49 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.99 2ksq n ARG 79 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2ksq n HIS 80 N 0.17 0.00 -0.24 -0.14 8.25 -1.09 -4.82 115.22 117.36 2ksq n HIS 80 Ca 0.08 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2ksq n HIS 80 Cb 0.33 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.43 2ksq n HIS 80 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2ksq n TYR 81 N -0.10 0.00 0.05 4.41 9.36 -1.13 -4.84 117.16 124.91 2ksq n TYR 81 Ca 0.00 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.11 2ksq n TYR 81 Cb 0.35 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.02 2ksq n TYR 81 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2ksq h TYR 82 N 0.00 -0.66 0.00 2.98 0.05 -1.85 -3.45 116.97 114.05 2ksq h TYR 82 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2ksq h TYR 82 Cb 0.12 0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.15 2ksq h TYR 82 CO 0.00 -0.33 0.00 0.00 -1.05 0.00 0.00 178.16 176.78 2ksq n ASN 84 N 1.52 -1.86 -4.72 0.00 4.13 -1.26 -5.14 115.26 107.93 2ksq n ASN 84 Ca 0.00 -2.72 -0.41 0.00 1.68 0.00 0.00 54.58 53.13 2ksq n ASN 84 Cb 0.00 1.48 -0.04 0.00 -1.54 0.00 0.00 39.78 39.68 2ksq n ASN 84 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2ksq s THR 85 N 0.22 4.90 -0.08 3.41 -1.32 -1.21 -4.62 115.64 116.95 2ksq s THR 85 Ca 0.23 1.73 0.14 0.00 -1.21 0.00 0.00 61.69 62.58 2ksq s THR 85 Cb 0.28 -4.17 -0.14 0.00 -1.51 0.00 0.00 72.50 66.96 2ksq s THR 85 CO -0.14 0.24 0.93 -0.33 -2.21 0.00 0.00 174.62 173.12 2ksq h GLU 86 N 6.51 0.00 -2.17 7.08 5.08 0.48 -3.43 114.58 128.14 2ksq h GLU 86 Ca -0.42 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2ksq h GLU 86 Cb 1.21 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.23 2ksq h GLU 86 CO 0.74 0.45 -0.14 0.20 -1.00 0.00 0.00 179.01 179.27 2ksq s GLY 87 N -4.81 -0.59 -0.26 -3.84 0.00 -0.69 -2.82 107.32 94.31 2ksq s GLY 87 Ca -0.02 2.13 -0.08 0.00 0.00 0.00 0.00 44.72 46.75 2ksq s GLY 87 CO 0.81 2.56 0.10 -1.34 0.00 0.00 0.00 173.10 175.23 2ksq s VAL 88 N 2.23 4.53 -0.60 1.40 -7.23 -1.11 -2.78 120.40 116.84 2ksq s VAL 88 Ca -0.07 -0.13 -0.26 0.00 -1.81 0.00 0.00 61.98 59.70 2ksq s VAL 88 Cb -0.09 -3.15 0.04 0.00 0.56 0.00 0.00 36.38 33.74 2ksq s VAL 88 CO -0.17 0.29 1.12 -0.63 -0.31 0.00 0.00 175.10 175.40 2ksq s ILE 89 N 1.64 4.10 -0.17 -0.62 1.01 0.17 -2.12 121.20 125.21 2ksq s ILE 89 Ca 0.06 0.55 -0.28 0.00 0.00 0.00 0.00 60.65 60.99 2ksq s ILE 89 Cb -0.15 -4.70 -0.01 0.00 0.01 0.00 0.00 42.46 37.61 2ksq s ILE 89 CO 0.05 -1.37 0.94 -0.36 0.00 0.00 0.00 174.94 174.21 2ksq s PHE 90 N 4.73 3.42 -0.18 3.97 0.40 0.37 -2.84 117.98 127.85 2ksq s PHE 90 Ca 0.36 1.42 -0.06 0.00 -0.60 0.00 0.00 56.93 58.05 2ksq s PHE 90 Cb -0.10 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.26 2ksq s PHE 90 CO 0.21 -0.31 0.03 0.54 0.70 0.00 0.00 175.22 176.39 2ksq s VAL 91 N 2.43 4.48 -0.04 -0.44 0.11 -0.18 -0.53 120.40 126.23 2ksq s VAL 91 Ca 0.43 -0.14 0.01 0.00 -2.93 0.00 0.00 61.98 59.35 2ksq s VAL 91 Cb -0.17 -3.01 0.02 0.00 -1.53 0.00 0.00 36.38 31.69 2ksq s VAL 91 CO 0.12 0.46 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.61 2ksq s VAL 92 N 0.46 0.60 0.14 2.04 1.01 -1.14 -4.22 120.40 119.30 2ksq s VAL 92 Ca 0.01 -0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.50 2ksq s VAL 92 Cb -0.13 -0.60 -0.11 0.00 0.00 0.00 0.00 36.38 35.54 2ksq s VAL 92 CO 0.01 0.23 1.77 -0.62 0.00 0.00 0.00 175.10 176.50 2ksq s ASP 93 N 0.75 6.43 -0.04 3.32 -1.08 -1.26 -0.57 116.67 124.22 2ksq s ASP 93 Ca -0.11 2.76 -0.09 0.00 -0.52 0.00 0.00 52.55 54.60 2ksq s ASP 93 Cb -0.13 -2.58 -0.30 0.00 -1.46 0.00 0.00 42.92 38.45 2ksq s ASP 93 CO 0.01 -0.98 0.68 0.77 0.52 0.00 0.00 175.17 176.17 2ksq h SER 94 N 7.98 0.55 0.00 -0.34 4.64 -1.47 -3.33 113.55 121.59 2ksq h SER 94 Ca -0.45 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.03 2ksq h SER 94 Cb 1.21 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2ksq h SER 94 CO 0.95 1.71 0.00 -3.20 -0.87 0.00 0.00 176.83 175.42 2ksq n ASN 95 N -3.54 0.00 -4.04 4.97 4.05 -1.26 -2.87 115.26 112.57 2ksq n ASN 95 Ca -0.24 -1.09 -0.34 0.00 0.45 0.00 0.00 54.58 53.37 2ksq n ASN 95 Cb 1.07 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 42.00 2ksq n ASN 95 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2ksq n ASP 96 N -0.93 3.88 0.20 1.20 9.92 -1.25 -4.88 116.55 124.69 2ksq n ASP 96 Ca 0.19 -3.16 0.05 0.00 -0.53 0.00 0.00 54.79 51.34 2ksq n ASP 96 Cb 0.09 -0.96 0.42 0.00 -0.64 0.00 0.00 41.12 40.02 2ksq n ASP 96 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 2ksq h ARG 97 N 5.78 0.00 -0.43 -1.24 0.11 -1.86 -2.52 114.38 114.22 2ksq h ARG 97 Ca 0.16 0.00 0.06 0.00 0.10 0.00 0.00 59.98 60.30 2ksq h ARG 97 Cb 0.79 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.81 2ksq h ARG 97 CO 0.82 0.33 0.11 0.66 0.10 0.00 0.00 179.97 182.00 2ksq h SER 98 N 0.00 0.07 0.04 0.08 4.64 -1.97 -2.24 113.55 114.17 2ksq h SER 98 Ca -0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2ksq h SER 98 Cb 0.66 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2ksq h SER 98 CO 0.04 0.07 -0.14 0.54 -0.87 0.00 0.00 176.83 176.47 2ksq n ARG 99 N -5.07 1.59 0.02 4.77 1.74 -1.19 -4.46 116.66 114.07 2ksq n ARG 99 Ca 0.03 -1.13 0.21 0.00 -0.77 0.00 0.00 57.85 56.19 2ksq n ARG 99 Cb 0.19 -1.48 0.53 0.00 -1.02 0.00 0.00 32.46 30.68 2ksq n ARG 99 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2ksq h ILE 100 N 2.76 0.12 0.06 0.55 1.08 -0.95 0.60 117.51 121.73 2ksq h ILE 100 Ca 0.00 0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 64.18 2ksq h ILE 100 Cb 0.68 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 2ksq h ILE 100 CO 0.00 0.00 -1.54 1.23 -0.69 0.00 0.00 178.15 177.15 2ksq h GLY 101 N 0.00 0.14 0.93 5.37 0.00 -1.78 -3.08 103.07 104.65 2ksq h GLY 101 Ca 0.27 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.25 2ksq h GLY 101 CO -0.00 0.32 0.19 0.83 0.00 0.00 0.00 176.54 177.88 2ksq h GLU 102 N 0.03 0.39 -0.38 4.80 4.39 -0.12 0.31 114.58 124.00 2ksq h GLU 102 Ca -0.23 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 2ksq h GLU 102 Cb 1.97 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.52 2ksq h GLU 102 CO 0.12 0.26 0.18 0.00 -1.16 0.00 0.00 179.01 178.41 2ksq h ALA 103 N 1.14 0.49 -0.05 3.43 0.00 -1.60 -1.26 119.26 121.42 2ksq h ALA 103 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ksq h ALA 103 Cb -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2ksq h ALA 103 CO -0.06 0.05 0.03 -0.09 0.00 0.00 0.00 179.25 179.18 2ksq h ARG 104 N 0.48 0.06 -0.60 0.00 2.43 -1.35 -1.45 114.38 113.95 2ksq h ARG 104 Ca 0.13 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2ksq h ARG 104 Cb 0.12 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 2ksq h ARG 104 CO -0.02 0.04 0.40 0.93 -1.51 0.00 0.00 179.97 179.81 2ksq h GLU 105 N 0.06 0.71 -0.31 0.20 5.08 -0.25 -0.84 114.58 119.23 2ksq h GLU 105 Ca 0.02 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2ksq h GLU 105 Cb -0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2ksq h GLU 105 CO -0.01 0.47 -0.18 0.28 -1.00 0.00 0.00 179.01 178.57 2ksq h VAL 106 N 0.73 1.25 0.03 3.13 2.07 -0.73 -2.89 116.25 119.84 2ksq h VAL 106 Ca 0.23 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 2ksq h VAL 106 Cb 0.03 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2ksq h VAL 106 CO -0.06 0.38 -0.01 -0.03 0.02 0.00 0.00 177.57 177.87 2ksq h MET 107 N 0.51 -0.04 -0.91 1.57 1.85 -0.11 -2.86 114.93 114.95 2ksq h MET 107 Ca 0.08 0.00 0.14 0.00 -0.61 0.00 0.00 59.70 59.32 2ksq h MET 107 Cb 0.61 0.01 -0.09 0.00 0.43 0.00 0.00 31.60 32.55 2ksq h MET 107 CO 0.04 0.08 0.52 0.37 -0.40 0.00 0.00 176.91 177.52 2ksq h GLN 108 N -0.14 0.73 -0.51 0.39 4.15 -1.30 0.30 115.11 118.73 2ksq h GLN 108 Ca -0.00 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.43 2ksq h GLN 108 Cb 0.13 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.60 2ksq h GLN 108 CO 0.01 0.49 0.22 -0.09 -1.93 0.00 0.00 178.83 177.53 2ksq h ARG 109 N 0.76 0.42 -0.27 1.69 1.12 -1.31 0.35 114.38 117.14 2ksq h ARG 109 Ca 0.48 -0.03 -0.15 0.00 -1.11 0.00 0.00 59.98 59.17 2ksq h ARG 109 Cb 0.62 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.48 2ksq h ARG 109 CO -0.33 0.28 -0.45 0.52 -3.11 0.00 0.00 179.97 176.88 2ksq h MET 110 N 0.44 0.70 -0.03 0.20 0.00 -0.96 -2.72 114.93 112.56 2ksq h MET 110 Ca 0.24 -0.39 -0.11 0.00 0.00 0.00 0.00 59.70 59.44 2ksq h MET 110 Cb 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 31.60 31.81 2ksq h MET 110 CO -0.20 1.01 -0.48 1.25 0.00 0.00 0.00 176.91 178.49 2ksq h LEU 111 N 0.56 0.07 -1.57 1.22 5.85 0.43 -2.87 115.31 118.99 2ksq h LEU 111 Ca 0.03 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2ksq h LEU 111 Cb 1.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2ksq h LEU 111 CO 0.09 0.53 0.00 -0.46 -0.34 0.00 0.00 178.44 178.27 2ksq n ASN 112 N -3.97 2.38 -4.72 1.25 6.94 0.11 -4.83 115.26 112.42 2ksq n ASN 112 Ca -0.02 -1.81 -0.39 0.00 -0.02 0.00 0.00 54.58 52.34 2ksq n ASN 112 Cb 0.50 -0.13 -0.05 0.00 -2.36 0.00 0.00 39.78 37.75 2ksq n ASN 112 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2ksq s GLU 113 N -1.75 4.41 0.37 -3.83 2.56 -1.03 -4.95 118.70 114.49 2ksq s GLU 113 Ca 0.34 0.79 0.10 0.00 0.00 0.00 0.00 54.97 56.20 2ksq s GLU 113 Cb 0.20 -3.45 0.74 0.00 2.00 0.00 0.00 34.13 33.62 2ksq s GLU 113 CO 0.29 0.08 1.88 0.22 -0.56 0.00 0.00 175.26 177.17 2ksq h ASP 114 N 6.76 0.19 0.87 -1.70 3.58 -1.90 -0.71 116.42 123.51 2ksq h ASP 114 Ca -0.41 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.00 2ksq h ASP 114 Cb 1.19 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2ksq h ASP 114 CO 0.75 0.41 0.00 -0.33 -2.88 0.00 0.00 179.24 177.19 2ksq h GLU 115 N 0.18 0.00 0.00 0.28 5.08 -1.93 -2.99 114.58 115.20 2ksq h GLU 115 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2ksq h GLU 115 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2ksq h GLU 115 CO 0.03 0.00 -0.06 1.28 -1.00 0.00 0.00 179.01 179.26 2ksq n LEU 116 N -2.70 1.85 0.00 1.33 4.77 -0.68 -4.70 117.00 116.87 2ksq n LEU 116 Ca 0.01 -2.41 0.12 0.00 -0.03 0.00 0.00 56.01 53.71 2ksq n LEU 116 Cb 0.27 -0.25 0.68 0.00 -2.33 0.00 0.00 43.42 41.79 2ksq n LEU 116 CO 0.24 0.56 0.92 0.00 -1.33 0.00 0.00 177.39 177.78 2ksq n ASN 118 N -1.14 0.83 -4.88 0.00 0.23 -1.26 -5.02 115.26 104.02 2ksq n ASN 118 Ca 0.15 -0.92 -0.33 0.00 -0.53 0.00 0.00 54.58 52.96 2ksq n ASN 118 Cb 0.14 0.61 -0.05 0.00 -2.08 0.00 0.00 39.78 38.40 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ksq s ALA 119 N -1.25 3.67 1.04 -2.53 0.00 -1.12 -4.93 121.76 116.64 2ksq s ALA 119 Ca 0.05 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 51.49 2ksq s ALA 119 Cb 0.06 -2.32 0.21 0.00 0.00 0.00 0.00 23.12 21.07 2ksq s ALA 119 CO 0.21 0.56 1.15 0.00 0.00 0.00 0.00 175.76 177.68 2ksq s ALA 120 N -1.64 1.27 -0.40 0.00 0.00 -1.13 -4.84 121.76 115.02 2ksq s ALA 120 Ca 0.41 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.69 2ksq s ALA 120 Cb -0.12 -2.95 0.23 0.00 0.00 0.00 0.00 23.12 20.27 2ksq s ALA 120 CO 0.21 -2.88 0.47 0.91 0.00 0.00 0.00 175.76 174.47 2ksq n TRP 121 N -4.20 -0.55 -2.80 0.00 7.02 -0.80 -2.75 117.44 113.36 2ksq n TRP 121 Ca 0.10 -3.48 -0.42 0.00 -1.02 0.00 0.00 57.50 52.68 2ksq n TRP 121 Cb 0.59 -0.16 -0.03 0.00 -2.42 0.00 0.00 31.31 29.29 2ksq n TRP 121 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2ksq s LEU 122 N -0.81 4.15 -0.06 -0.99 0.20 -0.90 -2.80 118.68 117.47 2ksq s LEU 122 Ca 0.34 1.25 -0.13 0.00 0.69 0.00 0.00 54.13 56.28 2ksq s LEU 122 Cb 0.13 -3.35 -0.05 0.00 -0.43 0.00 0.00 46.19 42.49 2ksq s LEU 122 CO -0.14 -0.50 0.34 -0.69 -0.29 0.00 0.00 176.35 175.07 2ksq s VAL 123 N 2.53 5.19 -0.38 1.68 1.01 0.17 0.14 120.40 130.74 2ksq s VAL 123 Ca 0.41 0.66 0.01 0.00 0.00 0.00 0.00 61.98 63.05 2ksq s VAL 123 Cb -0.16 -3.64 0.13 0.00 0.00 0.00 0.00 36.38 32.71 2ksq s VAL 123 CO 0.11 0.54 0.19 -0.36 0.00 0.00 0.00 175.10 175.58 2ksq s PHE 124 N -0.67 1.47 -0.34 5.22 0.40 0.31 -2.57 117.98 121.81 2ksq s PHE 124 Ca 0.21 -1.97 -0.27 0.00 -0.60 0.00 0.00 56.93 54.30 2ksq s PHE 124 Cb -0.15 -1.52 -0.05 0.00 0.51 0.00 0.00 43.02 41.81 2ksq s PHE 124 CO 0.09 -0.82 2.24 0.00 0.70 0.00 0.00 175.22 177.44 2ksq s ALA 125 N 0.92 2.33 0.88 5.36 0.00 -1.04 -2.89 121.76 127.32 2ksq s ALA 125 Ca 0.16 0.42 -0.13 0.00 0.00 0.00 0.00 51.96 52.41 2ksq s ALA 125 Cb -0.22 -4.17 0.12 0.00 0.00 0.00 0.00 23.12 18.85 2ksq s ALA 125 CO -0.07 -3.41 1.18 1.21 0.00 0.00 0.00 175.76 174.68 2ksq s ASN 126 N 9.49 3.83 -1.92 0.00 2.47 0.27 -2.05 114.94 127.03 2ksq s ASN 126 Ca 0.97 0.77 0.00 0.00 0.42 0.00 0.00 52.86 55.01 2ksq s ASN 126 Cb -0.26 -1.21 0.00 0.00 -1.45 0.00 0.00 41.25 38.33 2ksq s ASN 126 CO 0.31 -2.33 0.00 1.17 -3.72 0.00 0.00 177.10 172.53 2ksq n LYS 127 N -3.59 -1.45 0.24 0.43 3.00 -1.26 -1.24 118.16 114.30 2ksq n LYS 127 Ca 0.09 1.07 0.08 0.00 -0.00 0.00 0.00 58.31 59.54 2ksq n LYS 127 Cb 0.60 -5.44 0.60 0.00 0.00 0.00 0.00 35.03 30.79 2ksq n LYS 127 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2ksq h GLN 128 N 0.00 0.00 0.00 1.64 5.75 -1.58 -1.67 115.11 119.25 2ksq h GLN 128 Ca -0.38 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 2ksq h GLN 128 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 2ksq h GLN 128 CO 0.55 0.12 0.00 0.38 -2.65 0.00 0.00 178.83 177.23 2ksq h ASP 129 N 0.00 0.00 -3.46 -0.69 2.03 -1.88 -3.41 116.42 109.01 2ksq h ASP 129 Ca -0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 2ksq h ASP 129 Cb 0.23 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 38.77 2ksq h ASP 129 CO 0.02 0.00 0.67 -0.22 -1.03 0.00 0.00 179.24 178.68 2ksq s LEU 130 N -5.55 4.41 0.56 0.15 0.20 -0.63 -4.88 118.68 112.94 2ksq s LEU 130 Ca -0.00 2.51 0.33 0.00 0.69 0.00 0.00 54.13 57.66 2ksq s LEU 130 Cb 0.10 -3.62 1.47 0.00 -0.43 0.00 0.00 46.19 43.71 2ksq s LEU 130 CO 0.43 -0.56 1.81 -0.65 -0.29 0.00 0.00 176.35 177.09 2ksq h PRO 131 N 4.95 0.00 -0.71 0.98 0.11 -1.89 0.57 132.00 136.02 2ksq h PRO 131 Ca -0.46 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.43 2ksq h PRO 131 Cb 1.22 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 2ksq h PRO 131 CO 0.75 0.00 0.26 0.39 -0.21 0.00 0.00 178.00 179.20 2ksq n GLU 132 N -4.01 3.42 -2.01 1.05 -0.58 -1.26 -4.99 120.64 112.27 2ksq n GLU 132 Ca 0.19 -3.08 -0.42 0.00 -0.42 0.00 0.00 57.16 53.43 2ksq n GLU 132 Cb 1.04 -2.16 -0.03 0.00 -0.57 0.00 0.00 31.44 29.72 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ksq s ALA 133 N -3.03 3.69 0.43 0.62 0.00 0.20 -4.37 121.76 119.29 2ksq s ALA 133 Ca 0.54 1.31 -0.25 0.00 0.00 0.00 0.00 51.96 53.56 2ksq s ALA 133 Cb 0.44 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.90 2ksq s ALA 133 CO 0.12 -0.73 1.25 -1.64 0.00 0.00 0.00 175.76 174.75 2ksq s MET 134 N 0.52 3.84 0.68 0.00 -1.94 -1.14 -4.89 119.30 116.38 2ksq s MET 134 Ca 0.65 2.00 -0.11 0.00 -1.71 0.00 0.00 55.69 56.52 2ksq s MET 134 Cb -0.42 -2.60 -0.00 0.00 2.01 0.00 0.00 34.83 33.82 2ksq s MET 134 CO 0.36 -0.55 1.07 -1.12 -0.01 0.00 0.00 175.02 174.77 2ksq s SER 135 N -1.00 5.65 0.39 3.03 0.01 -1.26 -4.92 113.70 115.60 2ksq s SER 135 Ca 0.60 1.31 0.12 0.00 1.31 0.00 0.00 55.95 59.30 2ksq s SER 135 Cb -0.34 -2.21 0.78 0.00 0.21 0.00 0.00 66.02 64.46 2ksq s SER 135 CO 0.43 -1.23 1.87 0.00 0.41 0.00 0.00 173.24 174.71 2ksq h ALA 136 N -0.58 1.46 -0.67 1.44 0.00 -1.98 -2.72 119.26 116.21 2ksq h ALA 136 Ca -0.45 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.11 2ksq h ALA 136 Cb 1.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2ksq h ALA 136 CO 0.62 0.40 0.15 0.00 0.00 0.00 0.00 179.25 180.42 2ksq h ALA 137 N 1.66 0.99 0.01 0.00 0.00 -1.99 -1.34 119.26 118.59 2ksq h ALA 137 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2ksq h ALA 137 Cb 0.56 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ksq h ALA 137 CO 0.04 0.65 -0.13 0.93 0.00 0.00 0.00 179.25 180.74 2ksq h GLU 138 N 1.02 0.08 -0.54 0.00 3.07 -1.90 -2.74 114.58 113.57 2ksq h GLU 138 Ca 0.21 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.96 2ksq h GLU 138 Cb 0.38 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 2ksq h GLU 138 CO 0.00 0.90 0.28 0.82 -1.40 0.00 0.00 179.01 179.61 2ksq h ILE 139 N -0.69 1.17 0.14 3.13 2.04 -1.53 -1.97 117.51 119.80 2ksq h ILE 139 Ca -0.02 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 2ksq h ILE 139 Cb 0.95 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2ksq h ILE 139 CO 0.03 0.19 -0.07 0.74 0.00 0.00 0.00 178.15 179.04 2ksq h THR 140 N 0.75 1.02 0.34 -0.27 2.02 -1.33 -2.57 112.91 112.87 2ksq h THR 140 Ca 0.19 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 2ksq h THR 140 Cb 0.04 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2ksq h THR 140 CO -0.03 0.20 -0.22 1.05 0.37 0.00 0.00 175.52 176.89 2ksq h GLU 141 N -0.63 -0.53 -0.44 6.66 4.11 -1.36 -2.43 114.58 119.96 2ksq h GLU 141 Ca -0.02 0.04 0.10 0.00 0.07 0.00 0.00 59.36 59.55 2ksq h GLU 141 Cb 0.48 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2ksq h GLU 141 CO 0.03 -0.35 0.31 0.87 0.07 0.00 0.00 179.01 179.94 2ksq h LYS 142 N -0.55 0.13 0.00 1.06 1.79 -1.46 0.19 116.57 117.73 2ksq h LYS 142 Ca -0.03 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2ksq h LYS 142 Cb 0.46 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2ksq h LYS 142 CO 0.03 0.09 0.00 1.28 -1.08 0.00 0.00 179.45 179.76 2ksq n LEU 143 N -4.44 0.00 -2.72 2.94 7.99 -0.95 -4.87 117.00 114.94 2ksq n LEU 143 Ca 0.07 0.02 -0.21 0.00 -0.01 0.00 0.00 56.01 55.88 2ksq n LEU 143 Cb 0.42 -0.02 0.02 0.00 -0.11 0.00 0.00 43.42 43.73 2ksq n LEU 143 CO 0.35 -0.00 -0.09 0.61 -1.51 0.00 0.00 177.39 176.75 2ksq n GLY 144 N 0.80 -0.48 0.32 -0.72 0.00 0.66 -4.89 105.19 100.87 2ksq n GLY 144 Ca 0.21 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 2ksq n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ksq h LEU 145 N -0.91 1.07 -2.61 0.99 4.07 -1.64 -2.70 115.31 113.58 2ksq h LEU 145 Ca -0.51 -0.25 -0.00 0.00 0.08 0.00 0.00 57.88 57.20 2ksq h LEU 145 Cb 1.36 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 42.81 2ksq h LEU 145 CO 0.56 1.04 -0.01 0.45 -1.08 0.00 0.00 178.44 179.40 2ksq h HIS 146 N 1.04 0.00 -0.18 1.13 3.86 -1.89 -1.03 115.15 118.08 2ksq h HIS 146 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2ksq h HIS 146 Cb 0.42 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2ksq h HIS 146 CO 0.03 0.01 0.00 0.45 0.86 0.00 0.00 177.93 179.29 2ksq n SER 147 N -3.41 2.72 -4.32 2.45 2.88 -1.02 -4.83 113.62 108.09 2ksq n SER 147 Ca -0.03 -1.88 -0.40 0.00 -1.33 0.00 0.00 58.87 55.24 2ksq n SER 147 Cb 0.11 -0.11 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 2ksq n SER 147 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ksq s ILE 148 N -1.79 4.27 -0.07 2.46 1.01 -0.39 -4.88 121.20 121.80 2ksq s ILE 148 Ca 0.34 -1.10 0.15 0.00 0.00 0.00 0.00 60.65 60.04 2ksq s ILE 148 Cb 0.21 -3.47 0.30 0.00 0.01 0.00 0.00 42.46 39.51 2ksq s ILE 148 CO 0.30 -0.31 1.14 0.54 0.00 0.00 0.00 174.94 176.61 2ksq n ARG 149 N 4.93 0.60 0.00 2.79 1.74 -1.26 -4.74 116.66 120.72 2ksq n ARG 149 Ca -0.11 -2.18 0.04 0.00 -0.77 0.00 0.00 57.85 54.82 2ksq n ARG 149 Cb 0.45 -0.76 0.01 0.00 -1.02 0.00 0.00 32.46 31.14 2ksq n ARG 149 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2ksq n ASN 150 N -0.33 1.28 -3.73 0.55 2.85 -1.26 -5.00 115.26 109.62 2ksq n ASN 150 Ca 0.09 -1.14 -0.12 0.00 -0.11 0.00 0.00 54.58 53.30 2ksq n ASN 150 Cb 0.85 0.33 -0.10 0.00 1.24 0.00 0.00 39.78 42.10 2ksq n ASN 150 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2ksq s ARG 151 N -1.06 0.44 -0.09 1.20 1.81 -1.26 -5.13 118.95 114.86 2ksq s ARG 151 Ca 0.08 0.61 -0.29 0.00 -1.72 0.00 0.00 55.73 54.40 2ksq s ARG 151 Cb 0.07 0.16 -0.05 0.00 -0.45 0.00 0.00 34.95 34.67 2ksq s ARG 151 CO 0.18 -0.08 1.68 -1.25 -0.68 0.00 0.00 175.30 175.15 2ksq s PRO 152 N 0.52 4.07 0.02 3.54 0.04 -1.26 -4.98 135.00 136.95 2ksq s PRO 152 Ca -0.03 2.10 -0.00 0.00 0.04 0.00 0.00 61.00 63.11 2ksq s PRO 152 Cb -0.04 -4.02 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 2ksq s PRO 152 CO -0.03 -0.98 -0.02 1.67 0.04 0.00 0.00 177.00 177.67 2ksq s TRP 153 N 4.44 0.25 0.00 0.56 1.48 -1.26 -1.90 118.94 122.51 2ksq s TRP 153 Ca 0.75 -0.50 -0.01 0.00 -1.06 0.00 0.00 56.10 55.27 2ksq s TRP 153 Cb -0.32 -0.18 -0.01 0.00 -1.16 0.00 0.00 33.47 31.80 2ksq s TRP 153 CO 0.30 -0.19 0.01 -0.06 -4.06 0.00 0.00 176.95 172.96 2ksq s PHE 154 N -1.42 0.09 -0.21 1.66 0.08 -1.12 -4.99 117.98 112.07 2ksq s PHE 154 Ca -0.16 -0.18 -0.03 0.00 0.12 0.00 0.00 56.93 56.68 2ksq s PHE 154 Cb -0.10 -0.07 -0.00 0.00 -0.57 0.00 0.00 43.02 42.28 2ksq s PHE 154 CO -0.01 -0.11 -0.08 -1.50 -0.10 0.00 0.00 175.22 173.42 2ksq s ILE 155 N -0.69 3.10 -0.01 0.64 2.07 -1.26 0.44 121.20 125.49 2ksq s ILE 155 Ca -0.08 -0.59 0.03 0.00 -1.41 0.00 0.00 60.65 58.60 2ksq s ILE 155 Cb -0.05 -2.39 -0.01 0.00 0.13 0.00 0.00 42.46 40.15 2ksq s ILE 155 CO -0.00 0.45 -0.09 -1.58 -1.91 0.00 0.00 174.94 171.81 2ksq s GLN 156 N 1.35 0.73 0.23 3.50 2.00 -1.06 -5.02 119.66 121.39 2ksq s GLN 156 Ca 0.04 -0.31 -0.30 0.00 -2.00 0.00 0.00 55.36 52.80 2ksq s GLN 156 Cb -0.14 -0.70 -0.09 0.00 0.80 0.00 0.00 33.01 32.88 2ksq s GLN 156 CO -0.04 0.18 1.28 0.00 -0.50 0.00 0.00 175.29 176.21 2ksq s ALA 157 N -0.16 3.50 -0.08 1.58 0.00 -1.26 -2.49 121.76 122.86 2ksq s ALA 157 Ca 0.03 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.10 2ksq s ALA 157 Cb -0.04 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.64 2ksq s ALA 157 CO -0.00 -0.51 -0.08 0.99 0.00 0.00 0.00 175.76 176.16 2ksq s THR 158 N -0.28 0.91 -0.32 0.00 2.01 -0.87 -4.79 115.64 112.31 2ksq s THR 158 Ca 0.54 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.27 2ksq s THR 158 Cb -0.36 -0.90 0.10 0.00 0.01 0.00 0.00 72.50 71.34 2ksq s THR 158 CO 0.41 0.33 0.06 0.00 -0.69 0.00 0.00 174.62 174.73 2ksq h ALA 160 N 7.79 0.32 -0.92 0.00 0.00 -1.93 0.39 119.26 124.91 2ksq h ALA 160 Ca -0.08 -0.88 0.19 0.00 0.00 0.00 0.00 54.91 54.14 2ksq h ALA 160 Cb 1.02 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 2ksq h ALA 160 CO 0.50 1.14 0.60 1.79 0.00 0.00 0.00 179.25 183.27 2ksq h THR 161 N 0.03 0.72 0.00 0.00 1.35 -1.94 -3.01 112.91 110.05 2ksq h THR 161 Ca -0.04 -0.19 -0.27 0.00 -0.55 0.00 0.00 66.41 65.36 2ksq h THR 161 Cb 1.78 0.13 -0.05 0.00 -1.73 0.00 0.00 68.15 68.28 2ksq h THR 161 CO 0.15 0.10 -2.03 -1.20 -0.25 0.00 0.00 175.52 172.29 2ksq n SER 162 N -4.57 2.57 0.00 5.36 7.64 -1.23 -4.73 113.62 118.66 2ksq n SER 162 Ca 0.20 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2ksq n SER 162 Cb 0.63 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2ksq n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ksq n GLY 163 N 2.63 0.87 3.76 0.23 0.00 0.14 -4.95 105.19 107.86 2ksq n GLY 163 Ca -0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2ksq n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ksq s GLU 164 N -0.88 4.49 0.00 1.61 2.02 -1.09 -3.09 118.70 121.76 2ksq s GLU 164 Ca 0.00 2.00 0.00 0.00 0.02 0.00 0.00 54.97 56.99 2ksq s GLU 164 Cb 0.00 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.09 2ksq s GLU 164 CO 0.00 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.67 2ksq n GLY 165 N 1.21 2.98 0.29 -1.39 0.00 -1.26 -3.50 105.19 103.53 2ksq n GLY 165 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2ksq n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ksq h LEU 166 N 0.00 0.97 -0.54 0.99 3.38 -1.85 -2.85 115.31 115.41 2ksq h LEU 166 Ca 0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2ksq h LEU 166 Cb 0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2ksq h LEU 166 CO 0.00 0.96 0.29 0.10 0.09 0.00 0.00 178.44 179.88 2ksq h TYR 167 N 0.94 0.74 -0.89 1.13 -0.00 -1.89 -2.61 116.97 114.39 2ksq h TYR 167 Ca 0.20 -0.02 0.07 0.00 0.00 0.00 0.00 58.73 58.97 2ksq h TYR 167 Cb 0.37 -0.24 -0.06 0.00 0.00 0.00 0.00 36.73 36.81 2ksq h TYR 167 CO 0.03 0.55 0.58 0.93 -0.00 0.00 0.00 178.16 180.25 2ksq h GLU 168 N 0.72 0.98 -0.58 0.10 4.39 -1.92 -2.37 114.58 115.90 2ksq h GLU 168 Ca 0.19 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.84 2ksq h GLU 168 Cb 0.06 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 2ksq h GLU 168 CO -0.03 0.65 0.39 0.78 -1.16 0.00 0.00 179.01 179.63 2ksq h GLY 169 N 1.01 0.82 0.98 -3.84 0.00 -1.24 -1.99 103.07 98.80 2ksq h GLY 169 Ca 0.38 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.42 2ksq h GLY 169 CO -0.14 0.30 0.53 -2.00 0.00 0.00 0.00 176.54 175.22 2ksq h LEU 170 N 0.79 0.90 -1.11 3.11 6.46 -1.34 -2.48 115.31 121.64 2ksq h LEU 170 Ca 0.21 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.88 2ksq h LEU 170 Cb -0.09 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.60 2ksq h LEU 170 CO -0.05 0.65 -0.18 -0.33 -0.62 0.00 0.00 178.44 177.92 2ksq h GLU 171 N 1.07 0.41 -0.00 1.25 4.39 -1.24 -2.71 114.58 117.75 2ksq h GLU 171 Ca 0.30 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 2ksq h GLU 171 Cb -0.10 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 2ksq h GLU 171 CO -0.07 0.58 0.00 -1.49 -1.16 0.00 0.00 179.01 176.87 2ksq h TRP 172 N 0.38 0.00 0.17 4.33 4.06 -0.91 -2.75 115.95 121.23 2ksq h TRP 172 Ca 0.07 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.01 2ksq h TRP 172 Cb 0.53 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 2ksq h TRP 172 CO 0.01 0.17 -0.08 1.25 -3.56 0.00 0.00 178.44 176.23 2ksq h LEU 173 N -0.16 -0.19 -1.78 -4.49 6.46 -1.47 -2.78 115.31 110.90 2ksq h LEU 173 Ca 0.00 -0.04 0.20 0.00 -0.12 0.00 0.00 57.88 57.92 2ksq h LEU 173 Cb 0.17 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 2ksq h LEU 173 CO -0.00 -0.08 0.55 0.28 -0.62 0.00 0.00 178.44 178.57 2ksq h SER 174 N -0.28 0.18 0.49 1.25 0.02 -1.49 -0.22 113.55 113.50 2ksq h SER 174 Ca -0.02 0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 2ksq h SER 174 Cb 0.22 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2ksq h SER 174 CO 0.04 0.08 -0.80 -1.13 -1.14 0.00 0.00 176.83 173.87 2ksq h ASN 175 N 0.19 0.30 0.58 3.07 -0.73 -1.22 -2.80 115.58 114.96 2ksq h ASN 175 Ca 0.39 -0.22 -0.08 0.00 1.87 0.00 0.00 56.30 58.27 2ksq h ASN 175 Cb 1.27 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.76 2ksq h ASN 175 CO -0.08 0.98 -0.38 0.00 -0.37 0.00 0.00 177.43 177.59 2ksq n LEU 177 N -3.79 1.82 -2.94 0.00 7.99 -1.13 -4.92 117.00 114.03 2ksq n LEU 177 Ca -0.01 0.60 -0.12 0.00 -0.01 0.00 0.00 56.01 56.47 2ksq n LEU 177 Cb 0.45 -0.87 -0.01 0.00 -0.11 0.00 0.00 43.42 42.88 2ksq n LEU 177 CO 0.37 -0.42 -0.06 0.29 -1.51 0.00 0.00 177.39 176.07 2ksq n LYS 178 N -4.59 -2.58 -0.63 3.23 5.02 -1.06 -4.77 118.16 112.78 2ksq n LYS 178 Ca -0.09 0.20 -0.12 0.00 -2.02 0.00 0.00 58.31 56.28 2ksq n LYS 178 Cb 0.31 -4.76 0.09 0.00 -0.02 0.00 0.00 35.03 30.65 2ksq n LYS 178 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2ksq n ASN 179 N -1.82 3.47 -0.08 4.39 0.23 -1.26 -4.11 115.26 116.07 2ksq n ASN 179 Ca -0.01 -2.82 -0.15 0.00 -0.53 0.00 0.00 54.58 51.07 2ksq n ASN 179 Cb 0.52 -0.68 -0.06 0.00 -2.08 0.00 0.00 39.78 37.48 2ksq n ASN 179 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2ksq n SER 180 N -0.31 1.56 -0.94 0.53 7.64 -1.26 -4.90 113.62 115.93 2ksq n SER 180 Ca 0.30 0.13 0.12 0.00 1.01 0.00 0.00 58.87 60.42 2ksq n SER 180 Cb 1.08 -0.41 0.10 0.00 -1.01 0.00 0.00 64.21 63.97 2ksq n SER 180 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10