#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 0.42 -0.22 0.99 8.10 -2.06 -2.86 115.31 119.69 2ksq h LEU 3 Ca 0.00 -0.48 -0.07 0.00 0.11 0.00 0.00 57.88 57.44 2ksq h LEU 3 Cb 0.00 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.10 2ksq h LEU 3 CO 0.00 0.82 -0.14 0.15 -4.11 0.00 0.00 178.44 175.16 2ksq h PHE 4 N 0.04 0.57 0.19 0.17 3.04 -2.06 -2.98 116.94 115.90 2ksq h PHE 4 Ca 0.02 -0.15 0.01 0.00 3.98 0.00 0.00 57.97 61.84 2ksq h PHE 4 Cb 0.70 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 39.04 2ksq h PHE 4 CO 0.08 0.78 -0.46 0.00 -2.02 0.00 0.00 178.31 176.70 2ksq h ALA 5 N 0.70 -0.87 -0.92 2.41 0.00 -2.00 -1.37 119.26 117.19 2ksq h ALA 5 Ca 0.05 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.02 2ksq h ALA 5 Cb 0.65 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 2ksq h ALA 5 CO 0.04 -1.05 0.59 1.03 0.00 0.00 0.00 179.25 179.86 2ksq h SER 6 N -0.74 0.64 0.06 0.00 0.87 -1.58 -1.46 113.55 111.35 2ksq h SER 6 Ca 0.00 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2ksq h SER 6 Cb 0.73 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2ksq h SER 6 CO -0.22 0.30 -0.03 0.50 -0.53 0.00 0.00 176.83 176.84 2ksq h LYS 7 N 0.66 -0.08 -0.47 2.24 3.64 -1.21 -2.13 116.57 119.22 2ksq h LYS 7 Ca 0.48 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 60.00 2ksq h LYS 7 Cb 0.84 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 2ksq h LYS 7 CO -0.24 0.08 0.37 -0.07 -2.27 0.00 0.00 179.45 177.33 2ksq h LEU 8 N -0.23 0.00 -0.27 5.20 4.07 -0.23 0.22 115.31 124.07 2ksq h LEU 8 Ca -0.01 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.76 2ksq h LEU 8 Cb 0.20 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 2ksq h LEU 8 CO 0.01 0.00 -0.88 0.15 -1.08 0.00 0.00 178.44 176.65 2ksq h PHE 9 N 0.00 0.13 -0.79 1.13 3.57 -0.92 -3.29 116.94 116.77 2ksq h PHE 9 Ca 0.22 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.68 2ksq h PHE 9 Cb 0.96 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.65 2ksq h PHE 9 CO 0.00 0.91 0.52 0.66 -2.23 0.00 0.00 178.31 178.18 2ksq h SER 10 N 0.04 0.83 -0.12 0.41 4.64 0.08 -1.73 113.55 117.70 2ksq h SER 10 Ca -0.03 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.32 2ksq h SER 10 Cb 1.53 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2ksq h SER 10 CO 0.12 0.57 0.16 -0.55 -0.87 0.00 0.00 176.83 176.26 2ksq h ASN 11 N 0.97 0.00 0.00 4.97 7.08 -1.61 -1.11 115.58 125.87 2ksq h ASN 11 Ca 0.32 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.54 2ksq h ASN 11 Cb 0.05 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.29 2ksq h ASN 11 CO -0.09 0.00 0.14 0.25 -2.08 0.00 0.00 177.43 175.65 2ksq h LEU 12 N 0.00 0.00 0.00 6.14 5.85 -1.51 -0.09 115.31 125.70 2ksq h LEU 12 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2ksq h LEU 12 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2ksq h LEU 12 CO -0.00 0.00 0.00 2.22 -0.34 0.00 0.00 178.44 180.32 2ksq n PHE 13 N -2.88 0.00 0.25 1.25 -1.74 -0.42 -3.19 117.46 110.74 2ksq n PHE 13 Ca -0.02 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 56.98 2ksq n PHE 13 Cb 0.20 -0.40 0.74 0.00 1.52 0.00 0.00 39.48 41.54 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 3.34 0.00 -6.58 4.97 0.00 -1.23 -3.38 103.07 100.19 2ksq h GLY 14 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 2ksq h GLY 14 CO 0.00 0.00 -0.82 -1.31 0.00 0.00 0.00 176.54 174.41 2ksq s ASN 15 N -6.65 2.90 0.00 0.19 0.02 -1.19 -4.99 114.94 105.21 2ksq s ASN 15 Ca -0.05 -0.61 0.00 0.00 -1.02 0.00 0.00 52.86 51.18 2ksq s ASN 15 Cb 0.16 -1.18 0.00 0.00 0.02 0.00 0.00 41.25 40.25 2ksq s ASN 15 CO 0.63 -0.09 0.00 0.29 0.02 0.00 0.00 177.10 177.95 2ksq n LYS 16 N 4.75 0.00 -3.75 -0.60 4.01 -1.26 -4.69 118.16 116.62 2ksq n LYS 16 Ca -0.16 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.52 2ksq n LYS 16 Cb 0.49 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.89 2ksq n LYS 16 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2ksq s GLU 17 N 0.00 0.27 0.08 1.97 4.04 -1.26 -0.73 118.70 123.07 2ksq s GLU 17 Ca 0.00 0.46 0.06 0.00 0.04 0.00 0.00 54.97 55.53 2ksq s GLU 17 Cb 0.00 0.02 -0.04 0.00 0.02 0.00 0.00 34.13 34.13 2ksq s GLU 17 CO 0.00 -0.10 -0.06 -1.64 -1.84 0.00 0.00 175.26 171.62 2ksq s MET 18 N 0.71 2.34 -0.22 -4.83 -1.94 -0.94 -4.89 119.30 109.53 2ksq s MET 18 Ca -0.05 -0.91 -0.10 0.00 -1.71 0.00 0.00 55.69 52.93 2ksq s MET 18 Cb -0.06 -2.42 -0.05 0.00 2.01 0.00 0.00 34.83 34.32 2ksq s MET 18 CO -0.04 0.53 0.13 0.50 -0.01 0.00 0.00 175.02 176.13 2ksq s ARG 19 N -2.12 4.04 0.07 2.03 6.06 -1.26 -1.60 118.95 126.16 2ksq s ARG 19 Ca 0.22 -0.29 0.05 0.00 -2.50 0.00 0.00 55.73 53.21 2ksq s ARG 19 Cb -0.11 -3.43 -0.03 0.00 0.06 0.00 0.00 34.95 31.43 2ksq s ARG 19 CO 0.14 0.13 -0.15 0.42 -2.50 0.00 0.00 175.30 173.34 2ksq s ILE 20 N 0.83 1.18 0.01 4.11 -1.09 0.25 0.10 121.20 126.59 2ksq s ILE 20 Ca 0.07 -1.30 0.03 0.00 -2.23 0.00 0.00 60.65 57.21 2ksq s ILE 20 Cb -0.13 -1.12 -0.01 0.00 -1.58 0.00 0.00 42.46 39.62 2ksq s ILE 20 CO 0.02 -0.18 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.24 2ksq s LEU 21 N -1.69 2.07 -0.23 2.97 0.20 -0.79 -2.12 118.68 119.09 2ksq s LEU 21 Ca -0.01 -0.25 -0.02 0.00 0.69 0.00 0.00 54.13 54.54 2ksq s LEU 21 Cb -0.10 -0.42 0.01 0.00 -0.43 0.00 0.00 46.19 45.25 2ksq s LEU 21 CO 0.02 0.05 -0.08 -0.04 -0.29 0.00 0.00 176.35 176.01 2ksq s MET 22 N -0.53 3.04 0.06 1.98 -1.94 0.12 0.11 119.30 122.14 2ksq s MET 22 Ca 0.01 -0.83 0.06 0.00 -1.71 0.00 0.00 55.69 53.22 2ksq s MET 22 Cb -0.05 -2.91 -0.03 0.00 2.01 0.00 0.00 34.83 33.86 2ksq s MET 22 CO 0.00 -0.30 -0.17 0.08 -0.01 0.00 0.00 175.02 174.62 2ksq s VAL 23 N 1.37 1.39 0.09 -6.03 1.01 -1.05 -2.07 120.40 115.10 2ksq s VAL 23 Ca 0.03 -1.22 -0.26 0.00 0.00 0.00 0.00 61.98 60.53 2ksq s VAL 23 Cb -0.15 -1.25 0.09 0.00 0.00 0.00 0.00 36.38 35.06 2ksq s VAL 23 CO -0.06 0.01 1.13 -0.83 0.00 0.00 0.00 175.10 175.35 2ksq s GLY 24 N -1.41 -0.15 0.00 4.51 0.00 -1.26 -0.95 107.32 108.06 2ksq s GLY 24 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.87 2ksq s GLY 24 CO 0.02 1.74 0.00 1.04 0.00 0.00 0.00 173.10 175.90 2ksq n LEU 25 N -0.62 0.00 -0.94 0.66 4.77 -1.26 -4.50 117.00 115.11 2ksq n LEU 25 Ca -0.04 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.93 2ksq n LEU 25 Cb 0.61 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.75 2ksq n LEU 25 CO 0.16 -0.89 0.47 -0.90 -1.33 0.00 0.00 177.39 174.90 2ksq n ASP 26 N -1.07 2.36 0.00 -1.43 5.75 -1.26 -4.12 116.55 116.78 2ksq n ASP 26 Ca 0.00 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 2ksq n ASP 26 Cb 0.00 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.54 2ksq n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ksq n GLY 27 N 0.15 0.00 0.13 6.12 0.00 -1.26 -4.91 105.19 105.41 2ksq n GLY 27 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 0.32 0.00 4.61 0.00 -1.87 -3.47 119.26 118.84 2ksq h ALA 28 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ksq h ALA 28 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ksq h ALA 28 CO 0.00 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.47 2ksq n GLY 29 N -1.08 1.94 0.28 0.00 0.00 -1.26 -4.68 105.19 100.38 2ksq n GLY 29 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 2ksq n GLY 29 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ksq h LYS 30 N 0.00 0.44 -0.52 1.61 2.10 -1.94 -2.14 116.57 116.12 2ksq h LYS 30 Ca 0.00 -0.07 -0.11 0.00 -2.00 0.00 0.00 60.65 58.47 2ksq h LYS 30 Cb 0.00 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.24 2ksq h LYS 30 CO 0.00 0.42 -0.13 1.15 -2.00 0.00 0.00 179.45 178.89 2ksq h THR 31 N 0.43 1.27 -0.38 0.07 2.02 -1.95 -1.32 112.91 113.05 2ksq h THR 31 Ca 0.10 -1.28 -0.06 0.00 0.77 0.00 0.00 66.41 65.94 2ksq h THR 31 Cb 0.19 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2ksq h THR 31 CO -0.00 0.45 0.00 0.71 0.37 0.00 0.00 175.52 177.05 2ksq h THR 32 N 0.86 1.26 0.09 3.16 1.35 -1.80 -2.85 112.91 114.98 2ksq h THR 32 Ca 0.13 -0.99 -0.00 0.00 -0.55 0.00 0.00 66.41 65.00 2ksq h THR 32 Cb 0.69 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2ksq h THR 32 CO 0.05 0.33 -0.04 0.58 -0.25 0.00 0.00 175.52 176.19 2ksq h VAL 33 N 0.49 1.13 -0.96 6.82 2.07 -1.37 -2.29 116.25 122.15 2ksq h VAL 33 Ca 0.11 -0.86 0.17 0.00 0.82 0.00 0.00 66.70 66.94 2ksq h VAL 33 Cb 0.46 1.68 -0.09 0.00 -1.52 0.00 0.00 31.29 31.83 2ksq h VAL 33 CO 0.02 0.21 0.61 0.25 0.02 0.00 0.00 177.57 178.67 2ksq h LEU 34 N -0.52 0.68 -0.25 2.57 6.46 -1.30 0.65 115.31 123.60 2ksq h LEU 34 Ca -0.01 0.06 -0.19 0.00 -0.12 0.00 0.00 57.88 57.62 2ksq h LEU 34 Cb 0.43 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 2ksq h LEU 34 CO 0.02 0.29 -0.89 1.88 -0.62 0.00 0.00 178.44 179.12 2ksq h TYR 35 N 0.69 0.06 -0.10 1.25 -1.99 -1.50 -2.41 116.97 112.97 2ksq h TYR 35 Ca 0.51 -0.04 -0.06 0.00 2.00 0.00 0.00 58.73 61.14 2ksq h TYR 35 Cb 0.88 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.60 2ksq h TYR 35 CO -0.00 0.90 -0.17 -0.22 -0.00 0.00 0.00 178.16 178.67 2ksq h LYS 36 N 0.02 0.29 0.00 4.88 3.11 -0.36 0.68 116.57 125.19 2ksq h LYS 36 Ca -0.02 -0.18 -0.08 0.00 -2.81 0.00 0.00 60.65 57.56 2ksq h LYS 36 Cb 1.55 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.79 2ksq h LYS 36 CO 0.12 0.76 -0.38 1.25 -2.81 0.00 0.00 179.45 178.39 2ksq h LEU 37 N -0.15 0.00 0.11 5.20 6.46 -1.07 0.96 115.31 126.82 2ksq h LEU 37 Ca 0.01 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.42 2ksq h LEU 37 Cb 0.74 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.65 2ksq h LEU 37 CO 0.04 0.38 -1.88 0.50 -0.62 0.00 0.00 178.44 176.86 2ksq h LYS 38 N 0.00 0.23 0.00 1.25 3.11 -1.40 -3.39 116.57 116.38 2ksq h LYS 38 Ca -0.00 -0.40 0.00 0.00 -2.81 0.00 0.00 60.65 57.44 2ksq h LYS 38 Cb 0.88 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.26 2ksq h LYS 38 CO 0.05 1.09 -1.34 -0.11 -2.81 0.00 0.00 179.45 176.33 2ksq n LEU 39 N -3.41 0.50 0.00 5.20 7.94 0.24 -4.99 117.00 122.48 2ksq n LEU 39 Ca -0.27 -0.28 0.00 0.00 -1.11 0.00 0.00 56.01 54.35 2ksq n LEU 39 Cb 1.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.00 2ksq n LEU 39 CO 0.45 0.13 0.00 0.61 -1.11 0.00 0.00 177.39 177.47 2ksq n GLY 40 N 1.42 2.14 3.01 -3.96 0.00 0.33 -4.99 105.19 103.14 2ksq n GLY 40 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2ksq n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ksq s GLU 41 N -0.03 0.43 -0.01 1.61 2.12 -1.23 -4.97 118.70 116.63 2ksq s GLU 41 Ca 0.00 -0.52 -0.30 0.00 0.36 0.00 0.00 54.97 54.51 2ksq s GLU 41 Cb 0.00 -0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.10 2ksq s GLU 41 CO 0.00 0.05 1.03 0.08 -0.54 0.00 0.00 175.26 175.88 2ksq s VAL 42 N -0.94 4.69 0.39 3.70 1.01 -1.26 -4.14 120.40 123.86 2ksq s VAL 42 Ca -0.07 1.94 0.07 0.00 0.00 0.00 0.00 61.98 63.92 2ksq s VAL 42 Cb -0.07 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 2ksq s VAL 42 CO 0.00 0.12 -0.00 0.27 0.00 0.00 0.00 175.10 175.49 2ksq s ILE 43 N 1.21 1.95 -0.15 2.22 -5.25 -1.26 -5.09 121.20 114.83 2ksq s ILE 43 Ca 0.53 -2.03 -0.29 0.00 -0.99 0.00 0.00 60.65 57.87 2ksq s ILE 43 Cb -0.22 -2.92 -0.03 0.00 2.95 0.00 0.00 42.46 42.23 2ksq s ILE 43 CO 0.27 -0.03 1.52 -0.89 -1.79 0.00 0.00 174.94 174.01 2ksq s THR 44 N -2.76 3.84 0.22 8.37 2.01 -1.26 -4.96 115.64 121.10 2ksq s THR 44 Ca 0.35 0.99 0.04 0.00 0.31 0.00 0.00 61.69 63.37 2ksq s THR 44 Cb 0.09 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 2ksq s THR 44 CO 0.17 -0.17 0.36 0.28 -0.69 0.00 0.00 174.62 174.57 2ksq s THR 45 N 4.25 5.26 0.16 -0.82 -1.32 -1.26 -5.11 115.64 116.80 2ksq s THR 45 Ca 0.67 -0.85 -0.11 0.00 -1.21 0.00 0.00 61.69 60.19 2ksq s THR 45 Cb -0.27 -3.83 -0.00 0.00 -1.51 0.00 0.00 72.50 66.90 2ksq s THR 45 CO 0.25 -0.28 0.32 0.27 -2.21 0.00 0.00 174.62 172.97 2ksq s ILE 46 N -1.94 0.07 -0.18 5.08 -4.36 -1.26 -5.11 121.20 113.49 2ksq s ILE 46 Ca 0.35 -1.23 -0.31 0.00 -0.26 0.00 0.00 60.65 59.20 2ksq s ILE 46 Cb -0.10 -1.73 -0.08 0.00 1.25 0.00 0.00 42.46 41.81 2ksq s ILE 46 CO 0.29 -0.30 2.13 -2.65 0.24 0.00 0.00 174.94 174.65 2ksq n PRO 47 N -0.22 1.98 -3.93 0.37 -0.02 -1.26 -4.94 135.00 126.98 2ksq n PRO 47 Ca -0.09 0.61 -0.32 0.00 -2.02 0.00 0.00 63.50 61.68 2ksq n PRO 47 Cb 0.63 -2.97 -0.14 0.00 -0.02 0.00 0.00 33.50 31.01 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 6.86 2.69 0.40 3.45 -1.32 -1.26 -5.09 115.64 121.37 2ksq s THR 48 Ca 0.99 -2.56 -0.25 0.00 -1.21 0.00 0.00 61.69 58.67 2ksq s THR 48 Cb -0.50 -2.90 -0.09 0.00 -1.51 0.00 0.00 72.50 67.50 2ksq s THR 48 CO 0.42 -0.69 1.12 -0.51 -2.21 0.00 0.00 174.62 172.75 2ksq s ILE 49 N 0.60 3.38 0.00 5.08 1.10 -1.26 -3.26 121.20 126.84 2ksq s ILE 49 Ca 0.12 1.12 0.00 0.00 -0.51 0.00 0.00 60.65 61.38 2ksq s ILE 49 Cb -0.21 -3.61 0.00 0.00 0.15 0.00 0.00 42.46 38.78 2ksq s ILE 49 CO -0.05 0.07 0.00 0.61 -2.11 0.00 0.00 174.94 173.46 2ksq n GLY 50 N 0.56 1.01 3.09 1.50 0.00 -1.26 -4.85 105.19 105.23 2ksq n GLY 50 Ca 0.04 -1.50 -0.07 0.00 0.00 0.00 0.00 46.02 44.49 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 0.49 -0.14 1.61 -0.71 -1.26 -1.77 117.98 116.20 2ksq s PHE 51 Ca 0.00 -1.02 -0.04 0.00 -1.04 0.00 0.00 56.93 54.83 2ksq s PHE 51 Cb 0.00 -0.36 0.06 0.00 -1.21 0.00 0.00 43.02 41.51 2ksq s PHE 51 CO 0.00 -0.38 0.11 1.21 -1.34 0.00 0.00 175.22 174.82 2ksq s ASN 52 N -2.86 1.81 0.40 1.98 2.47 -0.69 -4.87 114.94 113.17 2ksq s ASN 52 Ca 0.06 -0.33 -0.14 0.00 0.42 0.00 0.00 52.86 52.87 2ksq s ASN 52 Cb 0.07 -0.08 -0.08 0.00 -1.45 0.00 0.00 41.25 39.71 2ksq s ASN 52 CO -0.10 -0.32 0.82 -0.69 -3.72 0.00 0.00 177.10 173.09 2ksq s VAL 53 N 2.19 4.66 -0.13 -5.21 1.01 -1.26 0.68 120.40 122.34 2ksq s VAL 53 Ca 0.03 0.93 -0.06 0.00 0.00 0.00 0.00 61.98 62.88 2ksq s VAL 53 Cb -0.15 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.61 2ksq s VAL 53 CO -0.08 -0.41 0.29 -0.70 0.00 0.00 0.00 175.10 174.20 2ksq s GLU 54 N -3.52 0.24 -0.44 2.72 2.56 -0.47 -4.94 118.70 114.84 2ksq s GLU 54 Ca 0.55 0.66 -0.22 0.00 0.00 0.00 0.00 54.97 55.96 2ksq s GLU 54 Cb -0.10 -0.06 0.02 0.00 2.00 0.00 0.00 34.13 36.00 2ksq s GLU 54 CO 0.25 -0.19 0.72 0.00 -0.56 0.00 0.00 175.26 175.47 2ksq s VAL 56 N 3.08 1.71 -0.16 0.00 1.01 -0.41 -5.01 120.40 120.61 2ksq s VAL 56 Ca 0.27 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 2ksq s VAL 56 Cb -0.13 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2ksq s VAL 56 CO 0.21 0.48 0.00 -1.58 0.00 0.00 0.00 175.10 174.21 2ksq s GLN 57 N -0.08 3.74 -0.19 2.72 2.00 -1.26 0.11 119.66 126.71 2ksq s GLN 57 Ca -0.03 -0.45 -0.10 0.00 -2.00 0.00 0.00 55.36 52.78 2ksq s GLN 57 Cb -0.12 -3.02 0.06 0.00 0.80 0.00 0.00 33.01 30.73 2ksq s GLN 57 CO 0.03 0.29 0.45 0.71 -0.50 0.00 0.00 175.29 176.26 2ksq s TYR 58 N 0.28 -0.67 -1.45 1.67 2.02 0.18 -4.92 117.35 114.46 2ksq s TYR 58 Ca -0.00 1.41 -0.11 0.00 -0.37 0.00 0.00 57.07 57.99 2ksq s TYR 58 Cb -0.13 0.32 0.05 0.00 -0.40 0.00 0.00 41.96 41.80 2ksq s TYR 58 CO 0.02 -0.37 1.08 0.00 -1.57 0.00 0.00 175.55 174.71 2ksq n ASN 60 N -2.92 0.00 -4.85 0.00 4.13 -1.26 -5.00 115.26 105.35 2ksq n ASN 60 Ca 0.02 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.05 2ksq n ASN 60 Cb 0.54 -0.42 -0.04 0.00 -1.54 0.00 0.00 39.78 38.32 2ksq n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2ksq s ILE 61 N -3.31 4.67 -0.65 2.41 1.01 0.26 -4.60 121.20 120.99 2ksq s ILE 61 Ca 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 60.65 59.43 2ksq s ILE 61 Cb 0.00 -3.48 0.17 0.00 0.01 0.00 0.00 42.46 39.16 2ksq s ILE 61 CO 0.00 -0.25 0.48 -0.44 0.00 0.00 0.00 174.94 174.73 2ksq s SER 62 N -3.58 5.43 -0.16 3.58 0.01 0.10 0.51 113.70 119.57 2ksq s SER 62 Ca 0.33 -2.82 -0.29 0.00 1.31 0.00 0.00 55.95 54.48 2ksq s SER 62 Cb -0.09 -1.90 -0.00 0.00 0.21 0.00 0.00 66.02 64.24 2ksq s SER 62 CO 0.25 -0.40 1.03 -0.36 0.41 0.00 0.00 173.24 174.18 2ksq s PHE 63 N -0.01 3.42 -0.29 2.43 0.40 0.30 -2.22 117.98 122.01 2ksq s PHE 63 Ca 0.17 1.52 -0.09 0.00 -0.60 0.00 0.00 56.93 57.93 2ksq s PHE 63 Cb -0.19 -3.24 -0.02 0.00 0.51 0.00 0.00 43.02 40.08 2ksq s PHE 63 CO -0.04 -0.39 0.14 0.99 0.70 0.00 0.00 175.22 176.62 2ksq s THR 64 N 2.61 4.68 -0.21 0.64 2.01 -0.63 -1.29 115.64 123.45 2ksq s THR 64 Ca 0.46 -0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.25 2ksq s THR 64 Cb -0.17 -3.29 0.02 0.00 0.01 0.00 0.00 72.50 69.07 2ksq s THR 64 CO 0.12 0.19 -0.12 0.68 -0.69 0.00 0.00 174.62 174.80 2ksq s VAL 65 N 1.65 2.55 -0.18 3.82 -7.23 -0.80 0.87 120.40 121.08 2ksq s VAL 65 Ca 0.06 -0.93 -0.13 0.00 -1.81 0.00 0.00 61.98 59.16 2ksq s VAL 65 Cb -0.16 -2.19 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 2ksq s VAL 65 CO 0.07 0.38 0.27 0.26 -0.31 0.00 0.00 175.10 175.77 2ksq s TRP 66 N 1.32 3.43 -0.45 2.82 0.52 -0.90 -1.37 118.94 124.30 2ksq s TRP 66 Ca 0.03 0.52 -0.09 0.00 0.02 0.00 0.00 56.10 56.58 2ksq s TRP 66 Cb -0.15 -2.33 0.10 0.00 -1.15 0.00 0.00 33.47 29.94 2ksq s TRP 66 CO -0.08 0.19 0.31 -0.51 0.02 0.00 0.00 176.95 176.88 2ksq s ASP 67 N 0.59 5.67 -0.15 2.95 1.01 0.21 0.15 116.67 127.11 2ksq s ASP 67 Ca 0.15 -1.75 -0.24 0.00 0.71 0.00 0.00 52.55 51.42 2ksq s ASP 67 Cb -0.13 -2.00 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 2ksq s ASP 67 CO 0.04 -0.63 0.77 0.68 0.21 0.00 0.00 175.17 176.24 2ksq s VAL 68 N 1.39 4.94 0.00 -1.27 -7.23 -0.88 -1.71 120.40 115.64 2ksq s VAL 68 Ca 0.05 1.53 0.00 0.00 -1.81 0.00 0.00 61.98 61.74 2ksq s VAL 68 Cb -0.25 -4.09 0.00 0.00 0.56 0.00 0.00 36.38 32.60 2ksq s VAL 68 CO 0.00 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 2ksq n GLY 69 N 3.43 0.40 7.00 2.32 0.00 -0.73 -4.44 105.19 113.17 2ksq n GLY 69 Ca 0.02 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 5.00 0.21 0.00 -0.02 0.00 -1.26 -4.77 105.19 104.34 2ksq n GLY 70 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.09 0.00 0.37 1.61 0.00 -1.26 -4.12 117.38 113.89 2ksq n GLN 71 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.00 56.82 2ksq n GLN 71 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.15 2ksq n GLN 71 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 2ksq h ASP 72 N 0.00 -0.77 -0.18 1.69 1.82 -1.93 0.64 116.42 117.69 2ksq h ASP 72 Ca 0.00 0.02 0.05 0.00 -0.39 0.00 0.00 57.03 56.71 2ksq h ASP 72 Cb 0.00 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 2ksq h ASP 72 CO 0.00 -0.54 0.26 -0.09 -1.61 0.00 0.00 179.24 177.26 2ksq h ARG 73 N -0.93 0.00 0.00 0.28 1.12 -1.97 0.14 114.38 113.02 2ksq h ARG 73 Ca -0.09 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 2ksq h ARG 73 Cb 0.70 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.66 2ksq h ARG 73 CO 0.15 0.00 -1.13 -0.89 -3.11 0.00 0.00 179.97 174.99 2ksq n ILE 74 N -3.53 0.00 -0.25 1.20 2.08 -0.90 -4.48 119.36 113.48 2ksq n ILE 74 Ca 0.02 -0.07 0.06 0.00 0.56 0.00 0.00 62.75 63.32 2ksq n ILE 74 Cb 0.37 0.86 0.19 0.00 -0.75 0.00 0.00 39.64 40.31 2ksq n ILE 74 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 2ksq h ARG 75 N 0.00 0.31 -0.11 0.38 2.43 0.32 0.54 114.38 118.25 2ksq h ARG 75 Ca 0.00 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 2ksq h ARG 75 Cb 0.57 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2ksq h ARG 75 CO 0.00 0.21 -0.67 0.77 -1.51 0.00 0.00 179.97 178.77 2ksq h SER 76 N 0.32 0.54 0.44 -3.80 0.02 -1.79 -2.93 113.55 106.36 2ksq h SER 76 Ca 0.42 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2ksq h SER 76 Cb 0.70 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2ksq h SER 76 CO -0.48 1.05 0.00 0.18 -1.14 0.00 0.00 176.83 176.45 2ksq n LEU 77 N -3.88 0.00 0.07 5.07 4.32 -0.12 -3.17 117.00 119.29 2ksq n LEU 77 Ca -0.04 0.32 -0.14 0.00 -0.02 0.00 0.00 56.01 56.14 2ksq n LEU 77 Cb 0.67 -0.32 -0.05 0.00 -1.62 0.00 0.00 43.42 42.10 2ksq n LEU 77 CO 0.48 -0.10 0.16 -0.50 -1.22 0.00 0.00 177.39 176.21 2ksq h TRP 78 N 0.00 0.59 -0.73 -1.77 6.55 -0.78 -3.22 115.95 116.60 2ksq h TRP 78 Ca 0.00 -0.33 -0.32 0.00 0.95 0.00 0.00 58.89 59.19 2ksq h TRP 78 Cb 0.22 -0.06 -0.19 0.00 -0.86 0.00 0.00 29.16 28.27 2ksq h TRP 78 CO 0.00 1.16 0.40 2.89 -1.05 0.00 0.00 178.44 181.84 2ksq n ARG 79 N -3.73 2.57 0.00 0.49 1.85 -1.19 -4.00 116.66 112.65 2ksq n ARG 79 Ca -0.07 -2.48 0.00 0.00 -1.00 0.00 0.00 57.85 54.30 2ksq n ARG 79 Cb 0.85 -2.00 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 2ksq n ARG 79 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2ksq n HIS 80 N -0.50 0.00 -0.79 2.89 -0.00 -1.22 -4.78 115.22 110.82 2ksq n HIS 80 Ca 0.42 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.60 2ksq n HIS 80 Cb 1.35 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 31.22 2ksq n HIS 80 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2ksq n TYR 81 N -0.24 0.00 -0.15 1.57 4.02 -1.25 -4.86 117.16 116.25 2ksq n TYR 81 Ca 0.00 -0.07 -0.04 0.00 -0.01 0.00 0.00 57.90 57.77 2ksq n TYR 81 Cb 0.05 -0.01 0.05 0.00 -0.02 0.00 0.00 39.34 39.41 2ksq n TYR 81 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 2ksq h TYR 82 N 0.00 0.38 0.00 -0.72 0.05 -1.87 -3.45 116.97 111.37 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 0.74 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.38 2ksq h TYR 82 CO 0.00 0.17 0.00 0.00 -1.05 0.00 0.00 178.16 177.28 2ksq n ASN 84 N 1.55 -1.91 -4.70 0.00 5.15 -1.26 -5.12 115.26 108.96 2ksq n ASN 84 Ca 0.00 -3.46 -0.42 0.00 -0.60 0.00 0.00 54.58 50.09 2ksq n ASN 84 Cb 0.00 1.43 -0.03 0.00 -0.53 0.00 0.00 39.78 40.65 2ksq n ASN 84 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2ksq s THR 85 N -0.07 4.80 0.03 -0.44 2.01 -1.16 -4.58 115.64 116.24 2ksq s THR 85 Ca 0.28 2.02 0.08 0.00 0.31 0.00 0.00 61.69 64.38 2ksq s THR 85 Cb 0.28 -4.30 -0.23 0.00 0.01 0.00 0.00 72.50 68.26 2ksq s THR 85 CO -0.10 0.12 0.92 -0.08 -0.69 0.00 0.00 174.62 174.78 2ksq h GLU 86 N 6.89 0.04 -2.56 4.92 4.81 0.31 -3.41 114.58 125.58 2ksq h GLU 86 Ca -0.38 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 58.69 2ksq h GLU 86 Cb 1.20 0.02 -0.26 0.00 0.63 0.00 0.00 28.75 30.35 2ksq h GLU 86 CO 0.78 0.78 -0.26 0.20 -0.73 0.00 0.00 179.01 179.78 2ksq s GLY 87 N -4.94 -0.37 -0.25 1.92 0.00 -0.75 -2.96 107.32 99.96 2ksq s GLY 87 Ca -0.03 1.65 -0.07 0.00 0.00 0.00 0.00 44.72 46.26 2ksq s GLY 87 CO 0.83 1.80 0.07 0.14 0.00 0.00 0.00 173.10 175.94 2ksq s VAL 88 N 1.47 4.35 -0.54 1.40 1.01 -0.22 -1.89 120.40 125.97 2ksq s VAL 88 Ca -0.09 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 2ksq s VAL 88 Cb -0.08 -3.04 0.05 0.00 0.00 0.00 0.00 36.38 33.32 2ksq s VAL 88 CO -0.14 0.33 0.79 -0.63 0.00 0.00 0.00 175.10 175.45 2ksq s ILE 89 N 1.62 4.63 -0.07 2.22 1.01 0.30 0.43 121.20 131.34 2ksq s ILE 89 Ca 0.06 -0.19 -0.23 0.00 0.00 0.00 0.00 60.65 60.29 2ksq s ILE 89 Cb -0.15 -4.44 -0.04 0.00 0.01 0.00 0.00 42.46 37.85 2ksq s ILE 89 CO 0.04 -1.00 0.69 0.12 0.00 0.00 0.00 174.94 174.79 2ksq s PHE 90 N 3.29 3.57 -0.20 3.97 5.36 0.34 -2.54 117.98 131.77 2ksq s PHE 90 Ca 0.22 1.23 -0.14 0.00 -0.96 0.00 0.00 56.93 57.27 2ksq s PHE 90 Cb -0.16 -2.80 -0.04 0.00 -0.34 0.00 0.00 43.02 39.67 2ksq s PHE 90 CO 0.14 0.08 0.33 0.08 -1.46 0.00 0.00 175.22 174.40 2ksq s VAL 91 N 0.83 5.25 -0.12 3.12 1.01 -0.12 -2.04 120.40 128.32 2ksq s VAL 91 Ca 0.37 0.58 -0.00 0.00 0.00 0.00 0.00 61.98 62.92 2ksq s VAL 91 Cb -0.18 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.56 2ksq s VAL 91 CO 0.18 0.29 -0.07 0.68 0.00 0.00 0.00 175.10 176.18 2ksq s VAL 92 N 1.11 1.05 0.15 2.92 -7.23 -1.16 -4.24 120.40 112.99 2ksq s VAL 92 Ca 0.16 -0.36 -0.31 0.00 -1.81 0.00 0.00 61.98 59.66 2ksq s VAL 92 Cb -0.14 -1.10 -0.10 0.00 0.56 0.00 0.00 36.38 35.60 2ksq s VAL 92 CO 0.07 0.32 1.61 1.51 -0.31 0.00 0.00 175.10 178.29 2ksq s ASP 93 N 1.69 6.56 -0.06 4.85 1.47 -1.26 -0.54 116.67 129.37 2ksq s ASP 93 Ca 0.04 2.63 -0.02 0.00 1.18 0.00 0.00 52.55 56.38 2ksq s ASP 93 Cb -0.13 -2.59 -0.26 0.00 -0.34 0.00 0.00 42.92 39.60 2ksq s ASP 93 CO -0.08 -0.86 0.59 -1.28 0.68 0.00 0.00 175.17 174.22 2ksq h SER 94 N 7.09 0.34 -0.02 2.11 0.87 -1.57 -3.34 113.55 119.03 2ksq h SER 94 Ca -0.43 -0.64 0.00 0.00 -1.23 0.00 0.00 61.79 59.49 2ksq h SER 94 Cb 1.20 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2ksq h SER 94 CO 0.92 1.56 0.00 0.59 -0.53 0.00 0.00 176.83 179.38 2ksq n ASN 95 N -3.39 0.20 -3.97 6.23 4.13 -1.26 -3.93 115.26 113.27 2ksq n ASN 95 Ca -0.24 -1.43 -0.32 0.00 1.68 0.00 0.00 54.58 54.28 2ksq n ASN 95 Cb 1.05 -0.01 -0.09 0.00 -1.54 0.00 0.00 39.78 39.19 2ksq n ASN 95 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2ksq n ASP 96 N -0.67 3.67 0.21 6.41 2.03 -1.26 -4.88 116.55 122.06 2ksq n ASP 96 Ca 0.15 -3.19 0.07 0.00 0.52 0.00 0.00 54.79 52.33 2ksq n ASP 96 Cb 0.10 -0.90 0.47 0.00 -0.72 0.00 0.00 41.12 40.07 2ksq n ASP 96 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2ksq h ARG 97 N 5.59 0.00 -0.47 -0.67 2.43 -1.87 -2.98 114.38 116.41 2ksq h ARG 97 Ca 0.16 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 2ksq h ARG 97 Cb 0.77 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.27 2ksq h ARG 97 CO 0.80 0.29 0.21 0.77 -1.51 0.00 0.00 179.97 180.52 2ksq h SER 98 N 0.00 0.28 0.03 -3.80 0.02 -1.97 -2.33 113.55 105.78 2ksq h SER 98 Ca -0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2ksq h SER 98 Cb 0.62 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2ksq h SER 98 CO 0.04 0.20 -0.06 0.54 -1.14 0.00 0.00 176.83 176.40 2ksq n ARG 99 N -4.94 1.55 0.14 3.45 3.00 -1.18 -4.41 116.66 114.27 2ksq n ARG 99 Ca 0.04 -0.95 0.15 0.00 -0.01 0.00 0.00 57.85 57.08 2ksq n ARG 99 Cb 0.15 -1.48 0.46 0.00 0.00 0.00 0.00 32.46 31.58 2ksq n ARG 99 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2ksq h ILE 100 N 2.33 0.07 0.06 0.55 1.08 -1.26 0.72 117.51 121.06 2ksq h ILE 100 Ca 0.00 0.00 -0.26 0.00 -0.39 0.00 0.00 64.86 64.21 2ksq h ILE 100 Cb 0.55 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 2ksq h ILE 100 CO 0.00 0.00 -1.27 1.23 -0.69 0.00 0.00 178.15 177.42 2ksq h GLY 101 N 0.00 0.15 0.64 5.37 0.00 -1.80 -3.01 103.07 104.42 2ksq h GLY 101 Ca 0.17 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2ksq h GLY 101 CO -0.00 0.33 -0.15 0.83 0.00 0.00 0.00 176.54 177.54 2ksq h GLU 102 N 0.04 -0.42 -0.15 4.80 5.08 0.13 0.17 114.58 124.22 2ksq h GLU 102 Ca -0.13 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2ksq h GLU 102 Cb 1.91 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 31.20 2ksq h GLU 102 CO 0.15 -0.09 -0.21 0.00 -1.00 0.00 0.00 179.01 177.86 2ksq h ALA 103 N -0.29 -0.14 -0.45 3.43 0.00 -1.59 0.36 119.26 120.57 2ksq h ALA 103 Ca -0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2ksq h ALA 103 Cb 0.51 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2ksq h ALA 103 CO 0.07 -0.66 0.23 0.07 0.00 0.00 0.00 179.25 178.97 2ksq h ARG 104 N -0.25 0.63 -0.58 0.00 0.11 -1.58 -2.40 114.38 110.32 2ksq h ARG 104 Ca 0.11 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 60.11 2ksq h ARG 104 Cb 0.41 -0.12 -0.03 0.00 1.11 0.00 0.00 29.97 31.34 2ksq h ARG 104 CO -0.30 0.52 0.37 1.49 0.10 0.00 0.00 179.97 182.15 2ksq h GLU 105 N 0.59 0.77 -0.43 0.08 4.57 -0.00 -0.99 114.58 119.16 2ksq h GLU 105 Ca 0.16 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2ksq h GLU 105 Cb 0.08 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 2ksq h GLU 105 CO -0.02 0.52 0.16 0.28 -1.18 0.00 0.00 179.01 178.77 2ksq h VAL 106 N 0.79 1.17 -0.42 0.32 2.07 0.18 -2.31 116.25 118.05 2ksq h VAL 106 Ca 0.21 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 2ksq h VAL 106 Cb -0.07 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2ksq h VAL 106 CO -0.04 0.20 0.22 0.24 0.02 0.00 0.00 177.57 178.21 2ksq h MET 107 N 0.61 0.59 -0.67 1.57 2.86 -0.84 -2.70 114.93 116.35 2ksq h MET 107 Ca 0.15 -0.08 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 2ksq h MET 107 Cb 0.14 -0.11 -0.07 0.00 0.06 0.00 0.00 31.60 31.62 2ksq h MET 107 CO -0.01 0.49 0.32 0.37 1.06 0.00 0.00 176.91 179.14 2ksq h GLN 108 N 0.54 0.54 -0.84 1.72 5.75 -1.20 0.50 115.11 122.12 2ksq h GLN 108 Ca 0.15 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 2ksq h GLN 108 Cb 0.08 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.47 2ksq h GLN 108 CO -0.02 0.35 0.55 0.00 -2.65 0.00 0.00 178.83 177.06 2ksq h ARG 109 N 0.55 1.06 -0.35 1.69 2.47 -1.34 0.51 114.38 118.97 2ksq h ARG 109 Ca 0.33 -0.06 -0.14 0.00 -1.26 0.00 0.00 59.98 58.85 2ksq h ARG 109 Cb 0.36 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 2ksq h ARG 109 CO -0.27 0.70 -0.35 0.52 0.56 0.00 0.00 179.97 181.14 2ksq h MET 110 N 1.10 0.81 0.00 0.04 2.86 -0.91 -1.87 114.93 116.95 2ksq h MET 110 Ca 0.32 -0.39 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 2ksq h MET 110 Cb -0.07 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2ksq h MET 110 CO -0.09 1.03 -0.33 1.25 1.06 0.00 0.00 176.91 179.83 2ksq h LEU 111 N 0.67 0.00 -1.24 1.22 6.46 0.89 -2.91 115.31 120.41 2ksq h LEU 111 Ca 0.07 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2ksq h LEU 111 Cb 0.90 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.83 2ksq h LEU 111 CO 0.08 0.33 -0.15 -3.20 -0.62 0.00 0.00 178.44 174.87 2ksq n ASN 112 N -3.52 2.08 -4.67 1.25 4.05 0.17 -4.90 115.26 109.72 2ksq n ASN 112 Ca -0.00 -1.59 -0.41 0.00 0.45 0.00 0.00 54.58 53.03 2ksq n ASN 112 Cb 0.47 0.13 -0.05 0.00 1.23 0.00 0.00 39.78 41.57 2ksq n ASN 112 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2ksq s GLU 113 N -2.19 4.29 0.36 1.20 2.12 -0.72 -4.93 118.70 118.82 2ksq s GLU 113 Ca 0.28 0.87 0.08 0.00 0.36 0.00 0.00 54.97 56.55 2ksq s GLU 113 Cb 0.20 -3.56 0.67 0.00 0.26 0.00 0.00 34.13 31.70 2ksq s GLU 113 CO 0.41 -0.25 1.85 -0.44 -0.54 0.00 0.00 175.26 176.30 2ksq h ASP 114 N 7.30 0.27 0.87 -1.70 3.32 -1.90 -1.64 116.42 122.94 2ksq h ASP 114 Ca -0.32 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2ksq h ASP 114 Cb 1.14 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2ksq h ASP 114 CO 0.80 0.48 0.00 -0.33 -1.72 0.00 0.00 179.24 178.47 2ksq h GLU 115 N 0.26 0.00 -0.04 3.56 3.07 -1.94 -2.98 114.58 116.51 2ksq h GLU 115 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2ksq h GLU 115 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 2ksq h GLU 115 CO 0.03 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.92 2ksq n LEU 116 N -2.31 2.27 0.00 1.33 4.77 -0.69 -4.65 117.00 117.73 2ksq n LEU 116 Ca 0.03 -2.39 0.11 0.00 -0.03 0.00 0.00 56.01 53.73 2ksq n LEU 116 Cb 0.27 -0.18 0.60 0.00 -2.33 0.00 0.00 43.42 41.78 2ksq n LEU 116 CO 0.22 0.59 0.86 0.00 -1.33 0.00 0.00 177.39 177.73 2ksq n ASN 118 N -1.19 0.68 -4.88 0.00 5.03 -1.26 -5.00 115.26 108.64 2ksq n ASN 118 Ca 0.13 -0.84 -0.34 0.00 0.87 0.00 0.00 54.58 54.40 2ksq n ASN 118 Cb 0.14 0.81 -0.05 0.00 -1.02 0.00 0.00 39.78 39.66 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ksq s ALA 119 N -1.63 3.75 0.86 5.41 0.00 -1.09 -4.89 121.76 124.16 2ksq s ALA 119 Ca 0.05 -0.45 -0.13 0.00 0.00 0.00 0.00 51.96 51.43 2ksq s ALA 119 Cb 0.07 -2.21 0.13 0.00 0.00 0.00 0.00 23.12 21.10 2ksq s ALA 119 CO 0.31 0.61 1.22 0.00 0.00 0.00 0.00 175.76 177.90 2ksq s ALA 120 N -1.49 2.55 -0.37 0.00 0.00 -1.16 -4.81 121.76 116.49 2ksq s ALA 120 Ca 0.36 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.43 2ksq s ALA 120 Cb -0.13 -2.84 0.15 0.00 0.00 0.00 0.00 23.12 20.30 2ksq s ALA 120 CO 0.20 -1.94 0.26 -1.58 0.00 0.00 0.00 175.76 172.70 2ksq s TRP 121 N -3.67 0.71 -0.35 0.00 0.51 -1.12 -1.06 118.94 113.96 2ksq s TRP 121 Ca 0.67 -1.75 -0.20 0.00 -2.12 0.00 0.00 56.10 52.70 2ksq s TRP 121 Cb -0.08 -0.86 0.00 0.00 -0.81 0.00 0.00 33.47 31.72 2ksq s TRP 121 CO 0.50 -0.84 0.59 -1.17 -0.51 0.00 0.00 176.95 175.52 2ksq s LEU 122 N 0.82 4.29 -0.06 2.99 0.20 0.17 -2.82 118.68 124.27 2ksq s LEU 122 Ca 0.22 0.09 -0.12 0.00 0.69 0.00 0.00 54.13 55.01 2ksq s LEU 122 Cb -0.15 -2.72 -0.05 0.00 -0.43 0.00 0.00 46.19 42.85 2ksq s LEU 122 CO -0.05 -0.55 0.30 -0.69 -0.29 0.00 0.00 176.35 175.07 2ksq s VAL 123 N 2.59 5.22 -0.21 1.68 1.01 0.30 0.13 120.40 131.13 2ksq s VAL 123 Ca 0.22 0.59 -0.03 0.00 0.00 0.00 0.00 61.98 62.77 2ksq s VAL 123 Cb -0.15 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.70 2ksq s VAL 123 CO 0.14 0.58 0.06 -0.36 0.00 0.00 0.00 175.10 175.52 2ksq s PHE 124 N -0.92 0.88 -0.30 5.22 0.08 -0.87 -1.12 117.98 120.95 2ksq s PHE 124 Ca 0.20 -0.83 -0.27 0.00 0.12 0.00 0.00 56.93 56.14 2ksq s PHE 124 Cb -0.15 -1.01 -0.06 0.00 -0.57 0.00 0.00 43.02 41.23 2ksq s PHE 124 CO 0.09 -0.63 2.28 0.00 -0.10 0.00 0.00 175.22 176.87 2ksq s ALA 125 N 1.91 2.37 0.60 5.36 0.00 0.20 -2.99 121.76 129.21 2ksq s ALA 125 Ca 0.01 0.54 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 2ksq s ALA 125 Cb -0.17 -4.16 -0.04 0.00 0.00 0.00 0.00 23.12 18.75 2ksq s ALA 125 CO -0.12 -3.33 1.01 1.21 0.00 0.00 0.00 175.76 174.53 2ksq s ASN 126 N 9.57 6.27 -1.28 0.00 3.84 0.29 -2.11 114.94 131.52 2ksq s ASN 126 Ca 1.00 1.41 0.00 0.00 0.21 0.00 0.00 52.86 55.48 2ksq s ASN 126 Cb -0.28 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 37.96 2ksq s ASN 126 CO 0.32 -0.83 0.00 0.29 -2.79 0.00 0.00 177.10 174.09 2ksq n LYS 127 N -2.62 -0.89 0.28 0.43 5.02 -1.26 -1.51 118.16 117.61 2ksq n LYS 127 Ca 0.06 0.88 0.14 0.00 -2.02 0.00 0.00 58.31 57.37 2ksq n LYS 127 Cb 0.54 -4.94 0.81 0.00 -0.02 0.00 0.00 35.03 31.42 2ksq n LYS 127 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2ksq h GLN 128 N 0.00 0.00 0.00 1.97 1.08 -1.65 -1.61 115.11 114.90 2ksq h GLN 128 Ca -0.26 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.94 2ksq h GLN 128 Cb 0.88 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.31 2ksq h GLN 128 CO 0.37 0.08 -0.01 0.38 -0.95 0.00 0.00 178.83 178.70 2ksq h ASP 129 N 0.00 0.00 -3.50 1.46 3.04 -1.90 -3.41 116.42 112.11 2ksq h ASP 129 Ca -0.00 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.27 2ksq h ASP 129 Cb 0.25 0.00 0.04 0.00 -1.04 0.00 0.00 39.33 38.59 2ksq h ASP 129 CO 0.01 0.01 0.66 -0.76 -2.04 0.00 0.00 179.24 177.12 2ksq s LEU 130 N -6.26 4.42 0.57 0.15 1.02 -0.60 -4.88 118.68 113.09 2ksq s LEU 130 Ca -0.02 2.50 0.32 0.00 0.02 0.00 0.00 54.13 56.95 2ksq s LEU 130 Cb 0.11 -3.62 1.45 0.00 0.02 0.00 0.00 46.19 44.15 2ksq s LEU 130 CO 0.49 -0.54 1.80 -0.65 0.02 0.00 0.00 176.35 177.48 2ksq h PRO 131 N 4.84 0.00 -0.74 1.29 0.11 -1.89 0.53 132.00 136.14 2ksq h PRO 131 Ca -0.46 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 2ksq h PRO 131 Cb 1.22 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 2ksq h PRO 131 CO 0.74 0.00 0.09 -1.91 -0.21 0.00 0.00 178.00 176.71 2ksq n GLU 132 N -3.92 3.65 -1.79 1.05 2.13 -1.26 -4.96 120.64 115.54 2ksq n GLU 132 Ca 0.18 -2.40 -0.42 0.00 0.66 0.00 0.00 57.16 55.17 2ksq n GLU 132 Cb 1.01 -2.06 -0.03 0.00 0.27 0.00 0.00 31.44 30.63 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ksq s ALA 133 N -2.39 3.78 0.60 4.31 0.00 0.18 -4.58 121.76 123.67 2ksq s ALA 133 Ca 0.42 1.41 -0.18 0.00 0.00 0.00 0.00 51.96 53.62 2ksq s ALA 133 Cb 0.33 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 2ksq s ALA 133 CO 0.12 -1.09 1.14 1.41 0.00 0.00 0.00 175.76 177.33 2ksq s MET 134 N 2.24 3.05 0.68 0.00 1.75 -1.25 -4.98 119.30 120.78 2ksq s MET 134 Ca 0.77 1.57 -0.11 0.00 -1.25 0.00 0.00 55.69 56.66 2ksq s MET 134 Cb -0.45 -1.97 -0.00 0.00 2.84 0.00 0.00 34.83 35.25 2ksq s MET 134 CO 0.34 -1.08 1.06 0.45 -0.65 0.00 0.00 175.02 175.14 2ksq s SER 135 N -2.05 5.67 0.38 1.11 0.15 -1.26 -4.93 113.70 112.77 2ksq s SER 135 Ca 0.71 1.33 0.11 0.00 0.70 0.00 0.00 55.95 58.81 2ksq s SER 135 Cb -0.24 -2.24 0.75 0.00 -1.71 0.00 0.00 66.02 62.58 2ksq s SER 135 CO 0.34 -1.22 1.86 0.00 1.20 0.00 0.00 173.24 175.42 2ksq h ALA 136 N -0.57 1.43 -0.69 5.45 0.00 -1.99 -2.62 119.26 120.27 2ksq h ALA 136 Ca -0.45 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 2ksq h ALA 136 Cb 1.22 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2ksq h ALA 136 CO 0.62 0.42 0.21 0.00 0.00 0.00 0.00 179.25 180.50 2ksq h ALA 137 N 1.63 1.06 0.00 0.00 0.00 -1.98 0.52 119.26 120.49 2ksq h ALA 137 Ca 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2ksq h ALA 137 Cb 0.56 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ksq h ALA 137 CO 0.04 0.63 -0.09 0.93 0.00 0.00 0.00 179.25 180.77 2ksq h GLU 138 N 1.03 0.05 -0.59 0.00 5.08 -1.90 -1.62 114.58 116.64 2ksq h GLU 138 Ca 0.23 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2ksq h GLU 138 Cb 0.30 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2ksq h GLU 138 CO -0.01 0.87 0.33 0.82 -1.00 0.00 0.00 179.01 180.02 2ksq h ILE 139 N -0.74 1.19 0.07 3.13 2.04 -1.49 -0.46 117.51 121.24 2ksq h ILE 139 Ca -0.01 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 2ksq h ILE 139 Cb 0.91 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2ksq h ILE 139 CO 0.02 0.21 -0.03 0.74 0.00 0.00 0.00 178.15 179.08 2ksq h THR 140 N 0.80 1.13 0.18 -0.27 2.02 -1.00 -2.53 112.91 113.24 2ksq h THR 140 Ca 0.21 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.70 2ksq h THR 140 Cb 0.04 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2ksq h THR 140 CO -0.03 0.17 -0.23 -0.08 0.37 0.00 0.00 175.52 175.72 2ksq h GLU 141 N -0.41 -0.44 -0.40 6.66 4.81 -1.20 -2.00 114.58 121.60 2ksq h GLU 141 Ca -0.01 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.37 2ksq h GLU 141 Cb 0.36 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2ksq h GLU 141 CO 0.02 -0.29 0.30 0.87 -0.73 0.00 0.00 179.01 179.17 2ksq h LYS 142 N -0.46 0.00 -0.01 1.92 1.79 -1.13 0.32 116.57 119.00 2ksq h LYS 142 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2ksq h LYS 142 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2ksq h LYS 142 CO -0.08 0.00 -0.00 1.28 -1.08 0.00 0.00 179.45 179.57 2ksq n LEU 143 N -4.36 0.78 -2.54 2.94 7.99 -0.79 -4.91 117.00 116.11 2ksq n LEU 143 Ca 0.07 -0.26 -0.20 0.00 -0.01 0.00 0.00 56.01 55.61 2ksq n LEU 143 Cb 0.49 -0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.79 2ksq n LEU 143 CO 0.36 0.13 -0.20 0.61 -1.51 0.00 0.00 177.39 176.77 2ksq n GLY 144 N 1.10 -0.50 0.37 -0.72 0.00 0.11 -4.87 105.19 100.68 2ksq n GLY 144 Ca 0.21 0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.28 2ksq n GLY 144 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ksq h LEU 145 N -0.28 1.05 -0.92 0.99 5.85 -1.65 -1.03 115.31 119.31 2ksq h LEU 145 Ca -0.48 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.13 2ksq h LEU 145 Cb 1.35 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2ksq h LEU 145 CO 0.56 0.68 -0.48 0.45 -0.34 0.00 0.00 178.44 179.31 2ksq h HIS 146 N 1.19 0.17 -0.00 1.25 3.86 -1.89 -2.84 115.15 116.89 2ksq h HIS 146 Ca 0.42 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 2ksq h HIS 146 Cb 0.13 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.56 2ksq h HIS 146 CO -0.00 0.60 -0.20 0.45 0.86 0.00 0.00 177.93 179.64 2ksq n SER 147 N -3.97 0.23 -4.41 2.45 2.88 -0.68 -4.73 113.62 105.39 2ksq n SER 147 Ca -0.02 0.10 -0.40 0.00 -1.33 0.00 0.00 58.87 57.22 2ksq n SER 147 Cb 0.51 -0.18 -0.11 0.00 -0.75 0.00 0.00 64.21 63.69 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 -2.94 4.66 -0.14 2.46 1.01 -0.48 -4.90 121.20 120.88 2ksq s ILE 148 Ca 0.15 -0.69 0.17 0.00 0.00 0.00 0.00 60.65 60.27 2ksq s ILE 148 Cb 0.19 -3.53 0.43 0.00 0.01 0.00 0.00 42.46 39.55 2ksq s ILE 148 CO 0.59 -0.15 1.20 0.54 0.00 0.00 0.00 174.94 177.11 2ksq n ARG 149 N 5.01 1.10 -0.00 2.79 1.74 -1.26 -4.71 116.66 121.33 2ksq n ARG 149 Ca -0.12 -2.87 0.01 0.00 -0.77 0.00 0.00 57.85 54.10 2ksq n ARG 149 Cb 0.47 -1.04 -0.01 0.00 -1.02 0.00 0.00 32.46 30.86 2ksq n ARG 149 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2ksq n ASN 150 N -0.46 0.90 -3.79 0.55 4.13 -1.26 -5.00 115.26 110.33 2ksq n ASN 150 Ca 0.15 -0.45 -0.20 0.00 1.68 0.00 0.00 54.58 55.76 2ksq n ASN 150 Cb 0.88 1.02 -0.17 0.00 -1.54 0.00 0.00 39.78 39.97 2ksq n ASN 150 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2ksq s ARG 151 N -1.36 0.46 -0.72 3.52 1.81 -1.26 -5.09 118.95 116.31 2ksq s ARG 151 Ca 0.00 0.11 -0.26 0.00 -1.72 0.00 0.00 55.73 53.86 2ksq s ARG 151 Cb 0.01 -0.76 -0.05 0.00 -0.45 0.00 0.00 34.95 33.71 2ksq s ARG 151 CO 0.08 -0.23 2.00 -1.25 -0.68 0.00 0.00 175.30 175.22 2ksq s PRO 152 N 1.59 2.45 0.02 3.54 0.04 -1.26 -4.93 135.00 136.45 2ksq s PRO 152 Ca -0.01 0.36 -0.02 0.00 0.04 0.00 0.00 61.00 61.36 2ksq s PRO 152 Cb -0.13 -4.69 -0.01 0.00 0.04 0.00 0.00 34.50 29.71 2ksq s PRO 152 CO -0.03 -3.18 0.03 1.67 0.04 0.00 0.00 177.00 175.52 2ksq s TRP 153 N 10.30 0.20 0.05 0.56 -2.14 -1.26 -2.81 118.94 123.84 2ksq s TRP 153 Ca 0.74 -0.42 0.01 0.00 2.66 0.00 0.00 56.10 59.08 2ksq s TRP 153 Cb -0.11 -0.15 -0.03 0.00 -3.10 0.00 0.00 33.47 30.08 2ksq s TRP 153 CO 0.12 -0.23 -0.05 -0.06 -2.66 0.00 0.00 176.95 174.07 2ksq s PHE 154 N -1.54 0.61 -0.11 1.66 0.08 -1.13 -4.98 117.98 112.57 2ksq s PHE 154 Ca -0.15 -0.76 0.02 0.00 0.12 0.00 0.00 56.93 56.17 2ksq s PHE 154 Cb -0.09 -0.39 -0.01 0.00 -0.57 0.00 0.00 43.02 41.97 2ksq s PHE 154 CO -0.01 -0.20 -0.19 -1.50 -0.10 0.00 0.00 175.22 173.22 2ksq s ILE 155 N -2.64 2.48 -0.01 0.64 2.07 -1.25 0.11 121.20 122.59 2ksq s ILE 155 Ca -0.01 -0.87 0.02 0.00 -1.41 0.00 0.00 60.65 58.38 2ksq s ILE 155 Cb -0.01 -1.99 -0.00 0.00 0.13 0.00 0.00 42.46 40.59 2ksq s ILE 155 CO -0.04 0.55 -0.07 -1.10 -1.91 0.00 0.00 174.94 172.36 2ksq s GLN 156 N 0.28 0.68 -0.35 3.50 -1.52 -0.27 -4.97 119.66 117.00 2ksq s GLN 156 Ca -0.14 -0.26 -0.28 0.00 -1.95 0.00 0.00 55.36 52.73 2ksq s GLN 156 Cb -0.17 -0.65 0.02 0.00 -0.22 0.00 0.00 33.01 31.99 2ksq s GLN 156 CO 0.07 0.13 1.04 0.00 -0.25 0.00 0.00 175.29 176.29 2ksq s ALA 157 N -0.03 3.43 0.14 6.09 0.00 -1.26 0.62 121.76 130.74 2ksq s ALA 157 Ca 0.01 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 51.83 2ksq s ALA 157 Cb -0.05 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 2ksq s ALA 157 CO -0.00 -1.60 -0.17 0.95 0.00 0.00 0.00 175.76 174.94 2ksq s THR 158 N 3.69 1.57 -0.30 0.00 -4.23 -0.90 -4.78 115.64 110.69 2ksq s THR 158 Ca 0.44 -1.76 0.02 0.00 -1.18 0.00 0.00 61.69 59.20 2ksq s THR 158 Cb -0.12 -1.65 0.09 0.00 1.34 0.00 0.00 72.50 72.17 2ksq s THR 158 CO 0.18 -0.32 0.04 0.00 -0.54 0.00 0.00 174.62 173.98 2ksq h ALA 160 N 7.85 0.65 -0.92 0.00 0.00 -1.92 0.91 119.26 125.83 2ksq h ALA 160 Ca -0.11 -0.57 0.19 0.00 0.00 0.00 0.00 54.91 54.42 2ksq h ALA 160 Cb 1.03 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 2ksq h ALA 160 CO 0.48 0.73 0.60 1.15 0.00 0.00 0.00 179.25 182.20 2ksq h THR 161 N 0.32 0.71 0.00 0.00 2.02 -1.94 -3.09 112.91 110.94 2ksq h THR 161 Ca -0.02 -0.18 -0.28 0.00 0.77 0.00 0.00 66.41 66.70 2ksq h THR 161 Cb 1.22 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 2ksq h THR 161 CO 0.12 0.10 -2.04 -0.24 0.37 0.00 0.00 175.52 173.83 2ksq n SER 162 N -4.57 2.37 0.00 4.18 2.88 -1.19 -4.73 113.62 112.56 2ksq n SER 162 Ca 0.20 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 2ksq n SER 162 Cb 0.63 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 2ksq n SER 162 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ksq n GLY 163 N 2.48 0.87 3.76 0.46 0.00 0.31 -4.94 105.19 108.13 2ksq n GLY 163 Ca -0.33 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.47 4.38 0.00 1.61 2.02 -1.03 -2.74 118.70 122.48 2ksq s GLU 164 Ca 0.00 2.13 0.00 0.00 0.02 0.00 0.00 54.97 57.12 2ksq s GLU 164 Cb 0.00 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.10 2ksq s GLU 164 CO 0.00 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.50 2ksq n GLY 165 N 1.50 2.93 0.20 -1.39 0.00 -1.26 -2.20 105.19 104.97 2ksq n GLY 165 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 0.61 -0.49 0.99 4.07 -1.84 -2.81 115.31 115.85 2ksq h LEU 166 Ca 0.00 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.69 2ksq h LEU 166 Cb 0.00 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 2ksq h LEU 166 CO 0.00 0.72 0.30 0.22 -1.08 0.00 0.00 178.44 178.61 2ksq h TYR 167 N 0.47 0.63 -0.85 1.13 3.20 -1.90 -2.48 116.97 117.17 2ksq h TYR 167 Ca 0.11 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.06 2ksq h TYR 167 Cb 0.38 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 2ksq h TYR 167 CO 0.03 0.42 0.56 0.93 -1.64 0.00 0.00 178.16 178.46 2ksq h GLU 168 N 0.65 0.88 -0.50 1.82 3.07 -1.93 -2.35 114.58 116.22 2ksq h GLU 168 Ca 0.18 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 2ksq h GLU 168 Cb -0.03 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.66 2ksq h GLU 168 CO -0.03 0.58 0.29 0.78 -1.40 0.00 0.00 179.01 179.22 2ksq h GLY 169 N 0.90 0.73 2.00 -3.84 0.00 -1.18 -2.18 103.07 99.51 2ksq h GLY 169 Ca 0.38 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 2ksq h GLY 169 CO -0.15 0.31 -0.23 -2.00 0.00 0.00 0.00 176.54 174.47 2ksq h LEU 170 N 0.66 0.00 -0.20 3.11 5.85 -1.32 -2.75 115.31 120.66 2ksq h LEU 170 Ca 0.18 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.77 2ksq h LEU 170 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2ksq h LEU 170 CO -0.03 0.23 -0.36 -0.08 -0.34 0.00 0.00 178.44 177.86 2ksq h GLU 171 N 0.00 0.61 -0.26 1.25 4.81 -1.02 -2.57 114.58 117.40 2ksq h GLU 171 Ca -0.00 -0.38 -0.06 0.00 -0.13 0.00 0.00 59.36 58.78 2ksq h GLU 171 Cb 0.48 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2ksq h GLU 171 CO 0.03 0.99 -0.12 -1.49 -0.73 0.00 0.00 179.01 177.69 2ksq h TRP 172 N 0.29 0.46 0.13 0.92 -0.00 -1.22 -2.57 115.95 113.95 2ksq h TRP 172 Ca 0.01 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 2ksq h TRP 172 Cb 0.96 -0.13 0.00 0.00 -0.00 0.00 0.00 29.16 29.99 2ksq h TRP 172 CO 0.09 0.54 -0.06 1.25 -0.00 0.00 0.00 178.44 180.26 2ksq h LEU 173 N 0.40 -0.15 -1.90 -4.49 7.12 -1.46 -2.67 115.31 112.17 2ksq h LEU 173 Ca 0.08 -0.30 0.05 0.00 0.13 0.00 0.00 57.88 57.83 2ksq h LEU 173 Cb 0.45 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 2ksq h LEU 173 CO 0.03 0.24 0.18 0.77 -0.13 0.00 0.00 178.44 179.53 2ksq h SER 174 N -0.56 0.11 0.46 1.25 4.64 -1.39 -1.69 113.55 116.38 2ksq h SER 174 Ca -0.02 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 2ksq h SER 174 Cb 0.44 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 2ksq h SER 174 CO 0.03 0.08 -0.75 0.78 -0.87 0.00 0.00 176.83 176.10 2ksq h ASN 175 N 0.13 0.28 0.37 4.97 2.35 -1.40 -2.45 115.58 119.83 2ksq h ASN 175 Ca 0.12 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.60 2ksq h ASN 175 Cb 0.30 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2ksq h ASN 175 CO -0.02 0.92 -0.36 0.00 -1.65 0.00 0.00 177.43 176.32 2ksq n LEU 177 N -4.10 1.86 -0.34 0.00 4.77 -1.18 -4.46 117.00 113.55 2ksq n LEU 177 Ca -0.02 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2ksq n LEU 177 Cb 0.40 -0.83 0.16 0.00 -2.33 0.00 0.00 43.42 40.83 2ksq n LEU 177 CO 0.39 -0.34 1.28 0.50 -1.33 0.00 0.00 177.39 177.89 2ksq h LYS 178 N -1.00 1.19 -6.99 3.23 3.64 -1.57 -3.46 116.57 111.60 2ksq h LYS 178 Ca -0.04 -0.07 -0.45 0.00 -1.27 0.00 0.00 60.65 58.82 2ksq h LYS 178 Cb 0.75 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2ksq h LYS 178 CO -0.02 0.79 -0.78 0.27 -2.27 0.00 0.00 179.45 177.44 2ksq n ASN 179 N -4.42 -3.15 -2.40 4.20 0.23 -0.09 -3.84 115.26 105.79 2ksq n ASN 179 Ca 0.12 -0.96 -0.03 0.00 -0.53 0.00 0.00 54.58 53.18 2ksq n ASN 179 Cb 0.07 -1.19 -0.02 0.00 -2.08 0.00 0.00 39.78 36.55 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 -1.44 -4.43 0.00 0.53 7.64 -1.26 -5.10 113.62 109.56 2ksq n SER 180 Ca -0.11 1.49 0.00 0.00 1.01 0.00 0.00 58.87 61.27 2ksq n SER 180 Cb 0.44 -4.99 0.00 0.00 -1.01 0.00 0.00 64.21 58.65 2ksq n SER 180 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44