#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 -0.08 -1.34 0.99 4.07 -2.06 0.61 115.31 117.50 2ksq h LEU 3 Ca 0.00 -0.40 -0.04 0.00 0.08 0.00 0.00 57.88 57.52 2ksq h LEU 3 Cb 0.00 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 2ksq h LEU 3 CO 0.00 0.38 0.06 2.19 -1.08 0.00 0.00 178.44 179.99 2ksq h PHE 4 N -0.57 0.51 0.17 1.13 -0.00 -2.07 -2.56 116.94 113.56 2ksq h PHE 4 Ca -0.01 -0.03 -0.30 0.00 -0.00 0.00 0.00 57.97 57.63 2ksq h PHE 4 Cb 0.48 -0.16 0.02 0.00 -0.00 0.00 0.00 35.95 36.30 2ksq h PHE 4 CO 0.08 0.47 -1.32 0.00 -0.00 0.00 0.00 178.31 177.53 2ksq h ALA 5 N 1.58 -0.00 -0.60 12.09 0.00 -2.01 -3.29 119.26 127.03 2ksq h ALA 5 Ca 0.12 -0.86 0.17 0.00 0.00 0.00 0.00 54.91 54.34 2ksq h ALA 5 Cb 0.23 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2ksq h ALA 5 CO -0.00 0.83 0.48 0.77 0.00 0.00 0.00 179.25 181.33 2ksq h SER 6 N 0.13 0.00 -0.03 0.00 0.02 0.67 -1.01 113.55 113.33 2ksq h SER 6 Ca -0.18 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 2ksq h SER 6 Cb 2.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.57 2ksq h SER 6 CO 0.23 0.00 -0.11 0.50 -1.14 0.00 0.00 176.83 176.32 2ksq h LYS 7 N 0.00 0.13 -0.35 3.45 1.63 -1.60 -2.58 116.57 117.25 2ksq h LYS 7 Ca 0.28 -0.10 0.09 0.00 -0.85 0.00 0.00 60.65 60.08 2ksq h LYS 7 Cb 1.24 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.87 2ksq h LYS 7 CO -0.00 0.73 0.25 1.25 -3.45 0.00 0.00 179.45 178.22 2ksq h LEU 8 N -0.44 0.05 -0.27 5.20 6.46 -1.34 0.13 115.31 125.10 2ksq h LEU 8 Ca -0.00 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.64 2ksq h LEU 8 Cb 0.74 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.64 2ksq h LEU 8 CO 0.02 0.03 -0.54 0.15 -0.62 0.00 0.00 178.44 177.49 2ksq h PHE 9 N 0.05 0.00 -0.27 1.25 3.04 -1.35 -3.25 116.94 116.42 2ksq h PHE 9 Ca 0.17 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.06 2ksq h PHE 9 Cb 0.59 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.09 2ksq h PHE 9 CO -0.00 0.54 -0.07 1.03 -2.02 0.00 0.00 178.31 177.78 2ksq h SER 10 N 0.00 0.40 -0.09 0.41 0.87 -0.31 -2.46 113.55 112.37 2ksq h SER 10 Ca -0.01 -0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.50 2ksq h SER 10 Cb 1.30 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2ksq h SER 10 CO 0.07 0.52 0.15 0.78 -0.53 0.00 0.00 176.83 177.83 2ksq h ASN 11 N 0.40 0.00 -0.30 6.23 2.35 -1.57 -1.96 115.58 120.73 2ksq h ASN 11 Ca 0.08 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.92 2ksq h ASN 11 Cb 0.39 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2ksq h ASN 11 CO 0.02 0.00 0.45 0.25 -1.65 0.00 0.00 177.43 176.50 2ksq h LEU 12 N 0.00 0.00 0.00 1.61 6.46 -1.64 0.41 115.31 122.15 2ksq h LEU 12 Ca 0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2ksq h LEU 12 Cb 0.35 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2ksq h LEU 12 CO -0.00 0.00 0.00 2.22 -0.62 0.00 0.00 178.44 180.04 2ksq n PHE 13 N -3.43 0.00 0.02 1.25 -1.74 -0.74 -3.27 117.46 109.55 2ksq n PHE 13 Ca 0.05 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 56.88 2ksq n PHE 13 Cb 0.59 -0.21 -0.11 0.00 1.52 0.00 0.00 39.48 41.26 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 4.20 0.00 1.80 4.97 0.00 -0.40 -3.31 103.07 110.33 2ksq h GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ksq h GLY 14 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 2ksq n ASN 15 N -3.09 0.00 -4.12 0.19 6.94 -1.20 -3.86 115.26 110.11 2ksq n ASN 15 Ca -0.10 0.29 -0.36 0.00 -0.02 0.00 0.00 54.58 54.38 2ksq n ASN 15 Cb 0.96 -0.40 0.09 0.00 -2.36 0.00 0.00 39.78 38.07 2ksq n ASN 15 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2ksq n LYS 16 N -1.40 -0.69 -3.98 -3.83 5.02 -1.25 -4.45 118.16 107.58 2ksq n LYS 16 Ca 0.06 -0.19 -0.09 0.00 -2.02 0.00 0.00 58.31 56.07 2ksq n LYS 16 Cb 0.16 -1.30 -0.10 0.00 -0.02 0.00 0.00 35.03 33.76 2ksq n LYS 16 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2ksq s GLU 17 N -2.63 0.44 0.10 1.97 -1.05 -1.26 -2.31 118.70 113.96 2ksq s GLU 17 Ca 0.45 -0.74 0.10 0.00 -0.15 0.00 0.00 54.97 54.63 2ksq s GLU 17 Cb 0.00 0.16 -0.04 0.00 -0.44 0.00 0.00 34.13 33.82 2ksq s GLU 17 CO 0.67 -0.09 -0.26 -1.64 0.95 0.00 0.00 175.26 174.89 2ksq s MET 18 N -2.15 1.45 -0.19 -4.83 -1.94 -1.03 -4.89 119.30 105.72 2ksq s MET 18 Ca -0.09 -1.25 -0.09 0.00 -1.71 0.00 0.00 55.69 52.55 2ksq s MET 18 Cb -0.05 -1.83 -0.05 0.00 2.01 0.00 0.00 34.83 34.92 2ksq s MET 18 CO -0.03 0.44 0.11 1.03 -0.01 0.00 0.00 175.02 176.57 2ksq s ARG 19 N -1.81 4.06 0.12 2.03 3.00 -1.26 -1.90 118.95 123.19 2ksq s ARG 19 Ca 0.12 -0.24 0.09 0.00 0.00 0.00 0.00 55.73 55.70 2ksq s ARG 19 Cb -0.10 -3.35 -0.04 0.00 0.00 0.00 0.00 34.95 31.47 2ksq s ARG 19 CO 0.05 0.34 -0.21 0.42 0.00 0.00 0.00 175.30 175.90 2ksq s ILE 20 N 0.22 1.81 -0.01 1.52 -1.09 0.29 0.93 121.20 124.86 2ksq s ILE 20 Ca 0.08 -1.66 0.03 0.00 -2.23 0.00 0.00 60.65 56.86 2ksq s ILE 20 Cb -0.11 -1.68 -0.01 0.00 -1.58 0.00 0.00 42.46 39.08 2ksq s ILE 20 CO -0.01 -0.10 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.29 2ksq s LEU 21 N -2.11 1.98 -0.11 2.97 0.20 -0.02 -1.39 118.68 120.20 2ksq s LEU 21 Ca 0.10 -0.16 0.01 0.00 0.69 0.00 0.00 54.13 54.77 2ksq s LEU 21 Cb -0.09 -0.47 -0.02 0.00 -0.43 0.00 0.00 46.19 45.19 2ksq s LEU 21 CO 0.05 0.10 -0.15 -0.04 -0.29 0.00 0.00 176.35 176.02 2ksq s MET 22 N -0.14 3.12 -0.03 1.98 -1.94 0.14 0.11 119.30 122.54 2ksq s MET 22 Ca 0.02 -0.72 -0.15 0.00 -1.71 0.00 0.00 55.69 53.13 2ksq s MET 22 Cb -0.04 -2.52 0.03 0.00 2.01 0.00 0.00 34.83 34.30 2ksq s MET 22 CO -0.00 0.31 0.34 0.14 -0.01 0.00 0.00 175.02 175.79 2ksq s VAL 23 N 0.09 0.05 -0.02 -6.03 -7.23 -1.11 -2.79 120.40 103.35 2ksq s VAL 23 Ca -0.06 -0.39 -0.08 0.00 -1.81 0.00 0.00 61.98 59.64 2ksq s VAL 23 Cb -0.15 -0.62 0.03 0.00 0.56 0.00 0.00 36.38 36.19 2ksq s VAL 23 CO 0.05 -0.21 0.35 0.61 -0.31 0.00 0.00 175.10 175.58 2ksq n GLY 24 N 1.46 0.34 0.00 2.32 0.00 -1.26 -1.70 105.19 106.34 2ksq n GLY 24 Ca -0.20 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -4.05 117.00 116.36 2ksq n LEU 25 Ca 0.02 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2ksq n LEU 25 Cb 0.15 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.34 2ksq n LEU 25 CO 0.03 -1.00 0.55 0.47 -1.33 0.00 0.00 177.39 176.11 2ksq n ASP 26 N -1.38 2.77 0.00 -1.43 9.92 -1.26 -3.89 116.55 121.27 2ksq n ASP 26 Ca 0.00 -2.37 0.00 0.00 -0.53 0.00 0.00 54.79 51.89 2ksq n ASP 26 Cb 0.00 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 2ksq n ASP 26 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ksq n GLY 27 N 0.13 0.00 0.11 0.44 0.00 -1.26 -4.88 105.19 99.73 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 -0.19 0.00 4.61 0.00 -1.85 -3.47 119.26 118.36 2ksq h ALA 28 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ksq h ALA 28 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 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 -0.47 0.67 0.27 0.00 0.00 -1.26 -4.59 105.19 99.80 2ksq n GLY 29 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 0.91 -0.29 1.61 2.10 -1.94 -2.93 116.57 116.03 2ksq h LYS 30 Ca 0.00 -0.44 -0.15 0.00 -2.00 0.00 0.00 60.65 58.06 2ksq h LYS 30 Cb 0.00 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2ksq h LYS 30 CO 0.00 1.09 -0.44 1.79 -2.00 0.00 0.00 179.45 179.89 2ksq h THR 31 N 0.76 1.29 0.17 0.07 1.35 -1.96 -2.29 112.91 112.30 2ksq h THR 31 Ca 0.08 -1.63 -0.00 0.00 -0.55 0.00 0.00 66.41 64.31 2ksq h THR 31 Cb 0.90 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 2ksq h THR 31 CO 0.08 0.52 -0.13 0.74 -0.25 0.00 0.00 175.52 176.48 2ksq h THR 32 N 0.59 0.71 -0.41 6.82 2.02 -1.93 -2.62 112.91 118.09 2ksq h THR 32 Ca 0.04 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.13 2ksq h THR 32 Cb 0.99 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2ksq h THR 32 CO 0.09 0.00 -0.09 0.58 0.37 0.00 0.00 175.52 176.47 2ksq h VAL 33 N -0.32 1.27 -0.64 3.16 2.07 -1.57 -2.57 116.25 117.67 2ksq h VAL 33 Ca -0.01 -1.18 0.12 0.00 0.82 0.00 0.00 66.70 66.45 2ksq h VAL 33 Cb 0.28 1.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.17 2ksq h VAL 33 CO -0.01 0.40 0.18 -0.07 0.02 0.00 0.00 177.57 178.09 2ksq h LEU 34 N 0.60 0.09 -0.28 2.57 -0.00 -1.32 0.21 115.31 117.18 2ksq h LEU 34 Ca 0.10 0.11 -0.19 0.00 -0.00 0.00 0.00 57.88 57.90 2ksq h LEU 34 Cb 0.61 0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.38 2ksq h LEU 34 CO 0.04 0.05 -0.87 1.88 -0.00 0.00 0.00 178.44 179.53 2ksq h TYR 35 N 0.32 0.09 -0.09 1.13 0.05 -1.47 -2.34 116.97 114.66 2ksq h TYR 35 Ca 0.34 -0.06 -0.12 0.00 0.05 0.00 0.00 58.73 58.94 2ksq h TYR 35 Cb 0.49 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 38.23 2ksq h TYR 35 CO -0.22 0.90 -0.40 -0.22 -1.05 0.00 0.00 178.16 177.17 2ksq h LYS 36 N 0.03 0.43 0.00 4.88 3.11 -0.91 0.84 116.57 124.96 2ksq h LYS 36 Ca -0.02 -0.34 -0.13 0.00 -2.81 0.00 0.00 60.65 57.35 2ksq h LYS 36 Cb 1.52 0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.81 2ksq h LYS 36 CO 0.12 0.98 -0.61 1.25 -2.81 0.00 0.00 179.45 178.38 2ksq h LEU 37 N -0.01 0.00 0.05 5.20 6.46 -0.72 0.90 115.31 127.19 2ksq h LEU 37 Ca -0.02 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.40 2ksq h LEU 37 Cb 1.05 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.94 2ksq h LEU 37 CO 0.08 0.61 -1.91 2.29 -0.62 0.00 0.00 178.44 178.89 2ksq n LYS 38 N -3.72 0.69 -0.00 1.25 -0.00 -0.88 -4.43 118.16 111.07 2ksq n LYS 38 Ca -0.01 0.26 0.08 0.00 -0.00 0.00 0.00 58.31 58.64 2ksq n LYS 38 Cb 0.63 -1.73 -0.11 0.00 -0.00 0.00 0.00 35.03 33.82 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 -3.21 0.43 0.00 -5.58 7.94 0.29 -4.99 117.00 111.88 2ksq n LEU 39 Ca -0.25 -0.28 0.00 0.00 -1.11 0.00 0.00 56.01 54.37 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 0.43 0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.43 2ksq n GLY 40 N 1.46 0.96 3.04 -3.96 0.00 0.31 -4.97 105.19 102.03 2ksq n GLY 40 Ca 0.00 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 -0.14 0.48 -0.10 1.61 0.41 -1.24 -4.98 118.70 114.74 2ksq s GLU 41 Ca 0.00 -0.82 -0.22 0.00 -0.41 0.00 0.00 54.97 53.52 2ksq s GLU 41 Cb 0.00 -0.04 -0.03 0.00 -1.78 0.00 0.00 34.13 32.27 2ksq s GLU 41 CO 0.00 -0.02 0.66 0.08 -0.49 0.00 0.00 175.26 175.49 2ksq s VAL 42 N -2.00 5.06 0.40 2.63 1.01 -1.26 -3.84 120.40 122.39 2ksq s VAL 42 Ca -0.08 1.34 0.05 0.00 0.00 0.00 0.00 61.98 63.29 2ksq s VAL 42 Cb -0.06 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 2ksq s VAL 42 CO -0.02 0.23 0.04 0.27 0.00 0.00 0.00 175.10 175.62 2ksq s ILE 43 N 1.00 1.46 -0.18 2.22 -5.25 -1.26 -5.08 121.20 114.11 2ksq s ILE 43 Ca 0.34 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 57.72 2ksq s ILE 43 Cb -0.17 -2.74 -0.04 0.00 2.95 0.00 0.00 42.46 42.46 2ksq s ILE 43 CO 0.15 0.00 1.81 -0.89 -1.79 0.00 0.00 174.94 174.23 2ksq s THR 44 N -2.98 3.42 0.22 8.37 2.01 -1.26 -4.98 115.64 120.45 2ksq s THR 44 Ca 0.30 0.47 -0.11 0.00 0.31 0.00 0.00 61.69 62.66 2ksq s THR 44 Cb 0.08 -3.43 -0.07 0.00 0.01 0.00 0.00 72.50 69.08 2ksq s THR 44 CO 0.14 -0.19 0.56 0.42 -0.69 0.00 0.00 174.62 174.87 2ksq s THR 45 N 5.79 4.90 0.02 -0.82 -4.23 -1.26 -5.10 115.64 114.95 2ksq s THR 45 Ca 0.81 0.55 0.04 0.00 -1.18 0.00 0.00 61.69 61.91 2ksq s THR 45 Cb -0.30 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 69.90 2ksq s THR 45 CO 0.33 -0.04 -0.11 -0.51 -0.54 0.00 0.00 174.62 173.75 2ksq s ILE 46 N -1.78 0.90 -0.11 2.99 1.10 -1.26 -5.10 121.20 117.94 2ksq s ILE 46 Ca 0.47 -0.75 -0.32 0.00 -0.51 0.00 0.00 60.65 59.53 2ksq s ILE 46 Cb -0.12 -0.80 -0.10 0.00 0.15 0.00 0.00 42.46 41.59 2ksq s ILE 46 CO 0.21 0.05 2.00 -2.65 -2.11 0.00 0.00 174.94 172.44 2ksq n PRO 47 N 2.26 2.19 -2.33 3.50 -0.02 -1.26 -4.88 135.00 134.45 2ksq n PRO 47 Ca -0.17 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 2ksq n PRO 47 Cb 0.56 -2.82 -0.02 0.00 -0.02 0.00 0.00 33.50 31.19 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 5.27 3.91 -0.63 3.45 -1.32 -1.26 -4.89 115.64 120.18 2ksq s THR 48 Ca 0.95 0.95 -0.02 0.00 -1.21 0.00 0.00 61.69 62.36 2ksq s THR 48 Cb -0.59 -4.15 0.38 0.00 -1.51 0.00 0.00 72.50 66.64 2ksq s THR 48 CO 0.46 -0.68 2.06 -0.38 -2.21 0.00 0.00 174.62 173.88 2ksq n ILE 49 N 6.92 3.48 0.00 5.08 2.08 -1.26 -4.16 119.36 131.50 2ksq n ILE 49 Ca 0.17 -2.90 0.00 0.00 0.56 0.00 0.00 62.75 60.58 2ksq n ILE 49 Cb 0.48 -1.22 0.00 0.00 -0.75 0.00 0.00 39.64 38.15 2ksq n ILE 49 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2ksq n GLY 50 N -0.59 0.02 3.11 7.39 0.00 -1.26 -5.01 105.19 108.86 2ksq n GLY 50 Ca 0.56 0.51 -0.11 0.00 0.00 0.00 0.00 46.02 46.97 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 2.66 0.03 -0.15 1.61 -0.12 -1.26 -0.48 117.98 120.26 2ksq s PHE 51 Ca 0.00 -0.09 -0.06 0.00 -0.05 0.00 0.00 56.93 56.73 2ksq s PHE 51 Cb 0.00 -0.04 0.07 0.00 -0.63 0.00 0.00 43.02 42.42 2ksq s PHE 51 CO 0.00 -0.28 0.31 -0.80 -0.05 0.00 0.00 175.22 174.40 2ksq s ASN 52 N -1.30 0.06 0.31 1.98 -0.87 -0.55 -4.98 114.94 109.59 2ksq s ASN 52 Ca -0.14 0.70 -0.06 0.00 -1.57 0.00 0.00 52.86 51.80 2ksq s ASN 52 Cb -0.07 0.82 -0.05 0.00 -0.02 0.00 0.00 41.25 41.92 2ksq s ASN 52 CO 0.02 -0.22 0.59 -0.69 -2.57 0.00 0.00 177.10 174.23 2ksq s VAL 53 N 2.22 4.98 -0.08 1.60 1.01 -1.26 -0.16 120.40 128.71 2ksq s VAL 53 Ca -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 2ksq s VAL 53 Cb -0.11 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.57 2ksq s VAL 53 CO -0.10 -0.37 0.10 -0.70 0.00 0.00 0.00 175.10 174.03 2ksq s GLU 54 N -3.64 -0.02 -0.44 2.72 2.56 -0.60 -4.96 118.70 114.33 2ksq s GLU 54 Ca 0.45 0.35 -0.22 0.00 0.00 0.00 0.00 54.97 55.55 2ksq s GLU 54 Cb -0.11 -0.68 0.02 0.00 2.00 0.00 0.00 34.13 35.37 2ksq s GLU 54 CO 0.30 -0.39 0.74 0.00 -0.56 0.00 0.00 175.26 175.36 2ksq s VAL 56 N 3.13 1.11 -0.13 0.00 0.11 -0.32 -5.03 120.40 119.27 2ksq s VAL 56 Ca 0.28 -0.67 -0.03 0.00 -2.93 0.00 0.00 61.98 58.63 2ksq s VAL 56 Cb -0.13 -0.94 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 2ksq s VAL 56 CO 0.21 0.26 -0.02 -1.10 -3.33 0.00 0.00 175.10 171.12 2ksq s GLN 57 N -0.46 3.41 -0.15 1.54 -0.21 -1.26 0.69 119.66 123.21 2ksq s GLN 57 Ca 0.05 -0.47 -0.07 0.00 0.02 0.00 0.00 55.36 54.88 2ksq s GLN 57 Cb -0.06 -2.87 0.06 0.00 1.00 0.00 0.00 33.01 31.14 2ksq s GLN 57 CO -0.00 0.42 0.35 -0.47 -2.12 0.00 0.00 175.29 173.47 2ksq s TYR 58 N -0.12 -0.55 -1.41 0.91 5.04 0.11 -4.91 117.35 116.42 2ksq s TYR 58 Ca 0.03 1.16 -0.09 0.00 -2.44 0.00 0.00 57.07 55.74 2ksq s TYR 58 Cb -0.13 0.18 0.04 0.00 0.35 0.00 0.00 41.96 42.40 2ksq s TYR 58 CO 0.02 -0.34 0.99 0.00 -1.34 0.00 0.00 175.55 174.88 2ksq n ASN 60 N -2.96 0.00 -4.89 0.00 4.05 -1.26 -4.97 115.26 105.23 2ksq n ASN 60 Ca -0.06 0.00 -0.26 0.00 0.45 0.00 0.00 54.58 54.70 2ksq n ASN 60 Cb 0.58 -0.67 -0.04 0.00 1.23 0.00 0.00 39.78 40.88 2ksq n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2ksq s ILE 61 N -3.16 5.00 -0.70 -1.44 1.01 0.14 -3.80 121.20 118.25 2ksq s ILE 61 Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 2ksq s ILE 61 Cb 0.00 -3.56 0.18 0.00 0.01 0.00 0.00 42.46 39.09 2ksq s ILE 61 CO 0.00 -0.08 0.58 -0.55 0.00 0.00 0.00 174.94 174.88 2ksq s SER 62 N -3.14 5.96 -0.24 3.58 0.15 -0.98 0.04 113.70 119.08 2ksq s SER 62 Ca 0.33 -2.68 -0.27 0.00 0.70 0.00 0.00 55.95 54.04 2ksq s SER 62 Cb -0.11 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2ksq s SER 62 CO 0.26 -0.50 0.93 -0.36 1.20 0.00 0.00 173.24 174.78 2ksq s PHE 63 N 0.20 3.32 -0.33 3.44 0.08 0.22 -2.48 117.98 122.43 2ksq s PHE 63 Ca 0.16 1.28 -0.09 0.00 0.12 0.00 0.00 56.93 58.41 2ksq s PHE 63 Cb -0.17 -3.17 0.01 0.00 -0.57 0.00 0.00 43.02 39.13 2ksq s PHE 63 CO -0.05 -0.45 0.14 0.95 -0.10 0.00 0.00 175.22 175.71 2ksq s THR 64 N 3.02 4.29 -0.34 0.64 -4.23 -0.80 -1.18 115.64 117.05 2ksq s THR 64 Ca 0.39 -0.73 -0.06 0.00 -1.18 0.00 0.00 61.69 60.12 2ksq s THR 64 Cb -0.15 -3.29 0.05 0.00 1.34 0.00 0.00 72.50 70.45 2ksq s THR 64 CO 0.07 -0.05 0.10 -0.69 -0.54 0.00 0.00 174.62 173.50 2ksq s VAL 65 N 1.53 3.64 -0.20 2.29 1.01 -0.63 0.10 120.40 128.15 2ksq s VAL 65 Ca 0.02 -1.23 -0.17 0.00 0.00 0.00 0.00 61.98 60.60 2ksq s VAL 65 Cb -0.18 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2ksq s VAL 65 CO 0.05 -0.21 0.45 0.86 0.00 0.00 0.00 175.10 176.26 2ksq s TRP 66 N 1.36 3.38 -0.36 5.22 -0.11 -0.48 -1.55 118.94 126.40 2ksq s TRP 66 Ca -0.02 0.69 -0.07 0.00 1.22 0.00 0.00 56.10 57.93 2ksq s TRP 66 Cb -0.20 -2.59 0.05 0.00 -1.50 0.00 0.00 33.47 29.23 2ksq s TRP 66 CO 0.02 -0.05 0.14 -0.51 -4.62 0.00 0.00 176.95 171.93 2ksq s ASP 67 N 1.09 5.37 0.00 5.86 1.11 0.77 0.28 116.67 131.15 2ksq s ASP 67 Ca 0.21 -1.30 -0.08 0.00 0.18 0.00 0.00 52.55 51.57 2ksq s ASP 67 Cb -0.15 -1.89 -0.05 0.00 1.07 0.00 0.00 42.92 41.90 2ksq s ASP 67 CO 0.09 -0.39 0.28 0.68 1.18 0.00 0.00 175.17 177.01 2ksq s VAL 68 N 1.38 5.28 0.06 -1.27 -7.23 -1.12 -1.48 120.40 116.02 2ksq s VAL 68 Ca 0.00 0.26 -0.37 0.00 -1.81 0.00 0.00 61.98 60.06 2ksq s VAL 68 Cb -0.21 -3.57 -0.18 0.00 0.56 0.00 0.00 36.38 32.98 2ksq s VAL 68 CO 0.02 0.40 1.09 0.61 -0.31 0.00 0.00 175.10 176.91 2ksq n GLY 69 N 1.24 -0.22 0.17 2.32 0.00 0.37 -4.69 105.19 104.38 2ksq n GLY 69 Ca -0.12 0.68 0.07 0.00 0.00 0.00 0.00 46.02 46.65 2ksq n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ksq h GLY 70 N 3.20 0.00 -4.14 -0.02 0.00 -1.70 -3.35 103.07 97.05 2ksq h GLY 70 Ca -0.47 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.26 2ksq h GLY 70 CO 0.68 0.00 0.01 -0.18 0.00 0.00 0.00 176.54 177.05 2ksq n GLN 71 N -3.09 1.14 -0.18 4.80 -0.06 -1.25 -4.32 117.38 114.43 2ksq n GLN 71 Ca 0.02 0.41 -0.01 0.00 -2.00 0.00 0.00 57.00 55.42 2ksq n GLN 71 Cb 0.63 -1.81 0.08 0.00 -4.06 0.00 0.00 30.24 25.08 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 1.56 -0.14 0.01 1.69 3.58 -1.92 0.80 116.42 122.00 2ksq h ASP 72 Ca -0.41 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 2ksq h ASP 72 Cb 1.35 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.60 2ksq h ASP 72 CO 0.57 -0.05 -0.01 0.03 -2.88 0.00 0.00 179.24 176.91 2ksq h ARG 73 N 0.17 0.00 0.00 0.28 3.08 -1.97 -1.81 114.38 114.13 2ksq h ARG 73 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2ksq h ARG 73 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2ksq h ARG 73 CO -0.42 0.01 -1.11 -0.89 -1.07 0.00 0.00 179.97 176.49 2ksq n ILE 74 N -4.44 0.08 -0.22 2.04 5.41 0.23 -4.32 119.36 118.13 2ksq n ILE 74 Ca -0.03 -0.19 0.31 0.00 1.00 0.00 0.00 62.75 63.85 2ksq n ILE 74 Cb 0.10 0.42 0.73 0.00 -0.71 0.00 0.00 39.64 40.17 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 0.00 -0.80 0.38 2.43 0.14 0.22 114.38 116.75 2ksq h ARG 75 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2ksq h ARG 75 Cb 0.68 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 2ksq h ARG 75 CO 0.00 0.00 0.53 1.03 -1.51 0.00 0.00 179.97 180.02 2ksq h SER 76 N 0.00 0.90 -0.05 -3.80 0.87 -1.75 -1.47 113.55 108.24 2ksq h SER 76 Ca 0.47 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 61.03 2ksq h SER 76 Cb 2.01 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 63.75 2ksq h SER 76 CO -0.00 0.64 0.18 -0.07 -0.53 0.00 0.00 176.83 177.04 2ksq h LEU 77 N 1.05 0.00 -0.38 2.23 4.07 -0.87 -2.67 115.31 118.74 2ksq h LEU 77 Ca 0.30 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.33 2ksq h LEU 77 Cb -0.08 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.61 2ksq h LEU 77 CO -0.07 0.00 0.02 -0.50 -1.08 0.00 0.00 178.44 176.80 2ksq h TRP 78 N 0.00 0.01 -0.52 1.13 4.06 -1.39 -1.05 115.95 118.18 2ksq h TRP 78 Ca 0.03 0.03 -0.12 0.00 2.06 0.00 0.00 58.89 60.88 2ksq h TRP 78 Cb 0.38 0.05 -0.07 0.00 -1.00 0.00 0.00 29.16 28.52 2ksq h TRP 78 CO 0.00 -0.05 0.16 2.89 -3.56 0.00 0.00 178.44 177.87 2ksq n ARG 79 N -5.17 3.24 0.00 0.49 1.85 -1.01 -3.49 116.66 112.57 2ksq n ARG 79 Ca 0.02 -2.28 0.00 0.00 -1.00 0.00 0.00 57.85 54.59 2ksq n ARG 79 Cb 0.19 -2.00 0.00 0.00 -1.05 0.00 0.00 32.46 29.60 2ksq n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2ksq n HIS 80 N 0.08 0.00 -0.66 2.89 8.25 -0.46 -4.79 115.22 120.53 2ksq n HIS 80 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 2ksq n HIS 80 Cb 1.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.19 2ksq n HIS 80 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2ksq n TYR 81 N -1.04 0.00 -0.17 4.41 4.01 -0.84 -4.84 117.16 118.69 2ksq n TYR 81 Ca 0.00 -0.13 -0.05 0.00 -0.16 0.00 0.00 57.90 57.56 2ksq n TYR 81 Cb 0.00 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.06 2ksq n TYR 81 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2ksq h TYR 82 N 0.00 0.54 0.00 -0.72 -0.00 -1.79 -3.45 116.97 111.55 2ksq h TYR 82 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.75 2ksq h TYR 82 Cb 0.72 -0.17 0.00 0.00 -0.00 0.00 0.00 36.73 37.28 2ksq h TYR 82 CO 0.00 0.30 0.00 0.00 -0.00 0.00 0.00 178.16 178.46 2ksq n ASN 84 N 2.01 -0.67 -4.71 0.00 2.85 -1.26 -5.11 115.26 108.38 2ksq n ASN 84 Ca 0.00 -3.17 -0.42 0.00 -0.11 0.00 0.00 54.58 50.88 2ksq n ASN 84 Cb 0.00 0.58 -0.03 0.00 1.24 0.00 0.00 39.78 41.58 2ksq n ASN 84 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2ksq s THR 85 N -1.14 4.28 -0.16 -0.44 -4.23 -1.16 -4.56 115.64 108.23 2ksq s THR 85 Ca 0.29 1.63 0.20 0.00 -1.18 0.00 0.00 61.69 62.63 2ksq s THR 85 Cb 0.35 -4.04 -0.10 0.00 1.34 0.00 0.00 72.50 70.04 2ksq s THR 85 CO -0.06 0.09 0.85 -0.62 -0.54 0.00 0.00 174.62 174.35 2ksq n GLU 86 N 4.27 0.62 -3.70 3.99 4.71 0.26 -4.56 120.64 126.24 2ksq n GLU 86 Ca 0.09 0.13 -0.11 0.00 -0.01 0.00 0.00 57.16 57.26 2ksq n GLU 86 Cb 0.47 -1.78 -0.12 0.00 -1.01 0.00 0.00 31.44 29.01 2ksq n GLU 86 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2ksq s GLY 87 N -4.62 -0.26 -0.26 0.62 0.00 -0.38 -2.76 107.32 99.67 2ksq s GLY 87 Ca -0.03 1.33 -0.08 0.00 0.00 0.00 0.00 44.72 45.95 2ksq s GLY 87 CO 0.81 1.66 0.08 0.14 0.00 0.00 0.00 173.10 175.79 2ksq s VAL 88 N 1.56 4.39 -0.50 1.40 1.01 -0.11 -0.84 120.40 127.32 2ksq s VAL 88 Ca -0.08 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 2ksq s VAL 88 Cb -0.10 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.26 2ksq s VAL 88 CO -0.11 0.31 0.63 -0.63 0.00 0.00 0.00 175.10 175.30 2ksq s ILE 89 N 1.62 4.86 -0.19 2.22 1.01 0.30 0.43 121.20 131.45 2ksq s ILE 89 Ca 0.06 -0.42 -0.22 0.00 0.00 0.00 0.00 60.65 60.08 2ksq s ILE 89 Cb -0.15 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.00 2ksq s ILE 89 CO 0.04 -0.79 0.68 0.12 0.00 0.00 0.00 174.94 174.99 2ksq s PHE 90 N 2.68 3.39 -0.16 3.97 2.19 0.37 -2.77 117.98 127.65 2ksq s PHE 90 Ca 0.16 1.01 -0.16 0.00 0.33 0.00 0.00 56.93 58.27 2ksq s PHE 90 Cb -0.18 -2.85 -0.04 0.00 -1.31 0.00 0.00 43.02 38.64 2ksq s PHE 90 CO 0.13 -0.18 0.38 0.08 1.83 0.00 0.00 175.22 177.45 2ksq s VAL 91 N 1.94 5.24 -0.08 3.12 1.01 -0.69 -2.28 120.40 128.66 2ksq s VAL 91 Ca 0.31 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.00 2ksq s VAL 91 Cb -0.16 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2ksq s VAL 91 CO 0.11 0.33 -0.06 0.68 0.00 0.00 0.00 175.10 176.16 2ksq s VAL 92 N 0.76 0.81 0.10 2.92 -7.23 -1.16 -4.16 120.40 112.44 2ksq s VAL 92 Ca 0.20 -0.19 -0.31 0.00 -1.81 0.00 0.00 61.98 59.87 2ksq s VAL 92 Cb -0.14 -0.84 -0.08 0.00 0.56 0.00 0.00 36.38 35.87 2ksq s VAL 92 CO 0.07 0.32 1.50 -1.81 -0.31 0.00 0.00 175.10 174.86 2ksq s ASP 93 N 1.47 6.71 -0.02 4.85 1.01 -1.26 -0.76 116.67 128.68 2ksq s ASP 93 Ca -0.01 2.41 0.02 0.00 0.71 0.00 0.00 52.55 55.68 2ksq s ASP 93 Cb -0.13 -2.58 -0.26 0.00 1.01 0.00 0.00 42.92 40.96 2ksq s ASP 93 CO -0.04 -0.76 0.77 0.77 0.21 0.00 0.00 175.17 176.11 2ksq h SER 94 N 7.30 0.25 -0.01 0.27 4.64 -1.76 -3.33 113.55 120.90 2ksq h SER 94 Ca -0.42 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.50 2ksq h SER 94 Cb 1.20 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2ksq h SER 94 CO 0.90 1.35 0.00 -3.20 -0.87 0.00 0.00 176.83 175.00 2ksq n ASN 95 N -3.33 0.20 -3.97 4.97 4.05 -1.26 -3.51 115.26 112.40 2ksq n ASN 95 Ca -0.17 -1.29 -0.33 0.00 0.45 0.00 0.00 54.58 53.24 2ksq n ASN 95 Cb 1.04 -0.01 -0.08 0.00 1.23 0.00 0.00 39.78 41.96 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 -0.74 3.88 0.20 1.20 8.00 -1.25 -4.88 116.55 122.97 2ksq n ASP 96 Ca 0.18 -3.20 0.06 0.00 0.71 0.00 0.00 54.79 52.53 2ksq n ASP 96 Cb 0.11 -0.93 0.43 0.00 -0.02 0.00 0.00 41.12 40.71 2ksq n ASP 96 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2ksq h ARG 97 N 5.59 0.00 -0.43 -1.24 -0.00 -1.86 -3.00 114.38 113.44 2ksq h ARG 97 Ca 0.16 0.00 0.06 0.00 -0.00 0.00 0.00 59.98 60.21 2ksq h ARG 97 Cb 0.77 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.68 2ksq h ARG 97 CO 0.83 0.32 0.12 0.77 -0.00 0.00 0.00 179.97 182.01 2ksq h SER 98 N 0.00 0.08 0.01 0.08 0.02 -1.97 -1.82 113.55 109.95 2ksq h SER 98 Ca -0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2ksq h SER 98 Cb 0.67 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2ksq h SER 98 CO 0.04 0.08 -0.02 0.54 -1.14 0.00 0.00 176.83 176.33 2ksq n ARG 99 N -5.06 1.58 -0.23 3.45 1.74 -1.19 -4.42 116.66 112.52 2ksq n ARG 99 Ca 0.03 -0.91 0.31 0.00 -0.77 0.00 0.00 57.85 56.51 2ksq n ARG 99 Cb 0.18 -1.48 0.57 0.00 -1.02 0.00 0.00 32.46 30.71 2ksq n ARG 99 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2ksq h ILE 100 N 2.21 0.10 0.04 0.55 6.09 -1.18 0.78 117.51 126.10 2ksq h ILE 100 Ca 0.00 0.00 -0.28 0.00 -1.37 0.00 0.00 64.86 63.21 2ksq h ILE 100 Cb 0.49 0.15 -0.03 0.00 0.47 0.00 0.00 36.82 37.91 2ksq h ILE 100 CO 0.00 0.00 -1.51 1.23 -3.07 0.00 0.00 178.15 174.80 2ksq h GLY 101 N 0.00 0.10 1.77 8.18 0.00 -1.79 -3.05 103.07 108.29 2ksq h GLY 101 Ca 0.51 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.47 2ksq h GLY 101 CO -0.01 0.23 -0.38 0.83 0.00 0.00 0.00 176.54 177.21 2ksq h GLU 102 N 0.02 0.26 -0.05 4.80 4.39 0.23 0.90 114.58 125.14 2ksq h GLU 102 Ca -0.22 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.27 2ksq h GLU 102 Cb 1.96 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 30.61 2ksq h GLU 102 CO 0.12 0.61 -0.33 0.00 -1.16 0.00 0.00 179.01 178.24 2ksq h ALA 103 N 1.38 0.10 -0.34 3.43 0.00 -1.44 -2.47 119.26 119.92 2ksq h ALA 103 Ca 0.02 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 2ksq h ALA 103 Cb 0.78 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2ksq h ALA 103 CO 0.06 0.18 -0.34 0.07 0.00 0.00 0.00 179.25 179.22 2ksq h ARG 104 N -0.23 0.84 -0.71 0.00 0.11 -1.48 -2.84 114.38 110.07 2ksq h ARG 104 Ca -0.03 -0.44 -0.06 0.00 0.10 0.00 0.00 59.98 59.55 2ksq h ARG 104 Cb 1.01 0.02 -0.03 0.00 1.11 0.00 0.00 29.97 32.08 2ksq h ARG 104 CO 0.07 1.08 0.23 1.49 0.10 0.00 0.00 179.97 182.93 2ksq h GLU 105 N 0.62 1.10 -0.33 0.08 4.81 -0.91 -2.36 114.58 117.60 2ksq h GLU 105 Ca 0.05 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.00 2ksq h GLU 105 Cb 0.93 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 2ksq h GLU 105 CO 0.08 0.93 -0.03 -0.39 -0.73 0.00 0.00 179.01 178.88 2ksq h VAL 106 N 1.06 1.20 -0.05 0.32 -1.51 -1.42 -2.71 116.25 113.15 2ksq h VAL 106 Ca 0.23 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 2ksq h VAL 106 Cb 0.29 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 2ksq h VAL 106 CO -0.01 0.28 0.01 -0.03 -1.23 0.00 0.00 177.57 176.60 2ksq h MET 107 N 0.49 0.03 -0.95 5.19 1.85 -1.18 -2.53 114.93 117.83 2ksq h MET 107 Ca 0.10 -0.00 0.13 0.00 -0.61 0.00 0.00 59.70 59.32 2ksq h MET 107 Cb 0.37 -0.01 -0.09 0.00 0.43 0.00 0.00 31.60 32.30 2ksq h MET 107 CO 0.01 0.02 0.57 0.37 -0.40 0.00 0.00 176.91 177.49 2ksq h GLN 108 N 0.04 0.84 -0.59 0.39 4.15 -1.17 0.33 115.11 119.09 2ksq h GLN 108 Ca 0.02 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2ksq h GLN 108 Cb 0.01 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 2ksq h GLN 108 CO -0.02 0.55 0.28 0.00 -1.93 0.00 0.00 178.83 177.71 2ksq h ARG 109 N 0.86 0.85 -0.37 1.69 2.47 -1.31 0.58 114.38 119.15 2ksq h ARG 109 Ca 0.49 -0.13 -0.13 0.00 -1.26 0.00 0.00 59.98 58.96 2ksq h ARG 109 Cb 0.57 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 2ksq h ARG 109 CO -0.30 0.69 -0.27 0.52 0.56 0.00 0.00 179.97 181.17 2ksq h MET 110 N 0.80 0.83 0.00 0.04 2.86 -0.81 -2.83 114.93 115.82 2ksq h MET 110 Ca 0.20 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2ksq h MET 110 Cb 0.12 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 2ksq h MET 110 CO -0.02 1.04 -0.00 1.25 1.06 0.00 0.00 176.91 180.23 2ksq h LEU 111 N 0.63 0.00 -0.44 1.22 6.46 -0.11 -2.94 115.31 120.13 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 0.84 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.77 2ksq h LEU 111 CO 0.07 0.00 -0.24 -3.20 -0.62 0.00 0.00 178.44 174.45 2ksq n ASN 112 N -3.10 0.92 -4.72 1.25 2.85 0.20 -4.82 115.26 107.85 2ksq n ASN 112 Ca 0.02 -0.81 -0.41 0.00 -0.11 0.00 0.00 54.58 53.27 2ksq n ASN 112 Cb 0.41 0.10 -0.04 0.00 1.24 0.00 0.00 39.78 41.49 2ksq n ASN 112 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2ksq s GLU 113 N -2.52 4.49 0.38 1.20 2.12 -1.08 -4.94 118.70 118.35 2ksq s GLU 113 Ca 0.25 1.10 0.10 0.00 0.36 0.00 0.00 54.97 56.77 2ksq s GLU 113 Cb 0.19 -3.44 0.75 0.00 0.26 0.00 0.00 34.13 31.89 2ksq s GLU 113 CO 0.52 0.05 1.88 -0.44 -0.54 0.00 0.00 175.26 176.73 2ksq h ASP 114 N 6.65 0.17 0.75 -1.70 5.19 -1.89 -1.54 116.42 124.05 2ksq h ASP 114 Ca -0.41 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 2ksq h ASP 114 Cb 1.21 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2ksq h ASP 114 CO 0.75 0.39 0.00 1.21 -3.12 0.00 0.00 179.24 178.47 2ksq n GLU 115 N -4.22 0.12 -0.13 3.56 4.07 -1.26 -2.91 120.64 119.88 2ksq n GLU 115 Ca -0.01 0.31 0.06 0.00 -0.06 0.00 0.00 57.16 57.46 2ksq n GLU 115 Cb 0.31 -1.71 0.08 0.00 -0.06 0.00 0.00 31.44 30.06 2ksq n GLU 115 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2ksq n LEU 116 N -1.94 1.77 0.00 4.31 4.77 -0.65 -4.71 117.00 120.55 2ksq n LEU 116 Ca 0.03 -2.39 0.13 0.00 -0.03 0.00 0.00 56.01 53.75 2ksq n LEU 116 Cb 0.24 -0.26 0.72 0.00 -2.33 0.00 0.00 43.42 41.79 2ksq n LEU 116 CO 0.19 0.56 0.93 0.00 -1.33 0.00 0.00 177.39 177.74 2ksq n ASN 118 N -1.10 0.96 -4.83 0.00 5.15 -1.26 -4.99 115.26 109.19 2ksq n ASN 118 Ca 0.17 -0.98 -0.36 0.00 -0.60 0.00 0.00 54.58 52.81 2ksq n ASN 118 Cb 0.12 0.71 -0.06 0.00 -0.53 0.00 0.00 39.78 40.03 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ksq s ALA 119 N -1.77 3.55 0.99 5.20 0.00 -1.13 -4.88 121.76 123.73 2ksq s ALA 119 Ca 0.07 -0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.83 2ksq s ALA 119 Cb 0.09 -2.61 0.22 0.00 0.00 0.00 0.00 23.12 20.82 2ksq s ALA 119 CO 0.37 0.42 1.31 0.00 0.00 0.00 0.00 175.76 177.86 2ksq s ALA 120 N -1.40 2.06 -0.12 0.00 0.00 -1.11 -4.76 121.76 116.43 2ksq s ALA 120 Ca 0.37 -1.21 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 2ksq s ALA 120 Cb -0.16 -2.77 0.04 0.00 0.00 0.00 0.00 23.12 20.22 2ksq s ALA 120 CO 0.19 -2.59 0.02 -0.46 0.00 0.00 0.00 175.76 172.92 2ksq s TRP 121 N -3.83 0.74 -0.23 0.00 -0.11 -0.96 -0.93 118.94 113.62 2ksq s TRP 121 Ca 0.74 -0.41 0.02 0.00 1.22 0.00 0.00 56.10 57.67 2ksq s TRP 121 Cb -0.04 -0.86 0.05 0.00 -1.50 0.00 0.00 33.47 31.12 2ksq s TRP 121 CO 0.53 -0.44 -0.12 -1.17 -4.62 0.00 0.00 176.95 171.13 2ksq s LEU 122 N 1.95 2.93 -0.09 5.86 0.20 0.17 -2.48 118.68 127.22 2ksq s LEU 122 Ca 0.03 -1.15 -0.12 0.00 0.69 0.00 0.00 54.13 53.58 2ksq s LEU 122 Cb -0.14 -1.46 -0.05 0.00 -0.43 0.00 0.00 46.19 44.11 2ksq s LEU 122 CO -0.06 -0.15 0.28 -0.69 -0.29 0.00 0.00 176.35 175.44 2ksq s VAL 123 N 1.21 5.27 -0.27 1.68 1.01 0.16 0.14 120.40 129.61 2ksq s VAL 123 Ca -0.05 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 2ksq s VAL 123 Cb -0.18 -3.59 0.09 0.00 0.00 0.00 0.00 36.38 32.70 2ksq s VAL 123 CO -0.07 0.52 0.09 -0.36 0.00 0.00 0.00 175.10 175.28 2ksq s PHE 124 N -0.51 1.05 -0.36 5.22 0.08 -0.97 -0.92 117.98 121.57 2ksq s PHE 124 Ca 0.18 -1.19 -0.27 0.00 0.12 0.00 0.00 56.93 55.77 2ksq s PHE 124 Cb -0.14 -1.25 -0.06 0.00 -0.57 0.00 0.00 43.02 41.00 2ksq s PHE 124 CO 0.07 -0.78 2.30 0.00 -0.10 0.00 0.00 175.22 176.71 2ksq s ALA 125 N 1.85 2.17 0.71 5.36 0.00 0.10 -3.01 121.76 128.94 2ksq s ALA 125 Ca 0.06 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.28 2ksq s ALA 125 Cb -0.17 -4.21 0.02 0.00 0.00 0.00 0.00 23.12 18.76 2ksq s ALA 125 CO -0.24 -3.64 1.07 1.21 0.00 0.00 0.00 175.76 174.16 2ksq s ASN 126 N 10.17 5.32 -1.87 0.00 3.84 0.06 -2.90 114.94 129.56 2ksq s ASN 126 Ca 0.98 1.42 0.00 0.00 0.21 0.00 0.00 52.86 55.47 2ksq s ASN 126 Cb -0.24 -2.28 0.00 0.00 -0.55 0.00 0.00 41.25 38.18 2ksq s ASN 126 CO 0.30 -1.46 0.00 0.29 -2.79 0.00 0.00 177.10 173.44 2ksq n LYS 127 N -3.12 -1.32 0.28 0.43 4.76 -1.26 -2.27 118.16 115.66 2ksq n LYS 127 Ca 0.07 1.09 0.14 0.00 -2.87 0.00 0.00 58.31 56.74 2ksq n LYS 127 Cb 0.55 -5.43 0.85 0.00 -1.84 0.00 0.00 35.03 29.16 2ksq n LYS 127 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2ksq h GLN 128 N 0.00 0.00 0.00 1.97 5.75 -1.60 -0.48 115.11 120.75 2ksq h GLN 128 Ca -0.39 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.11 2ksq h GLN 128 Cb 1.23 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.78 2ksq h GLN 128 CO 0.54 0.00 0.00 0.38 -2.65 0.00 0.00 178.83 177.10 2ksq h ASP 129 N 0.00 0.00 -3.35 -0.69 2.03 -1.89 -3.41 116.42 109.10 2ksq h ASP 129 Ca 0.01 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 2ksq h ASP 129 Cb 0.04 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.58 2ksq h ASP 129 CO -0.00 0.00 0.67 -0.76 -1.03 0.00 0.00 179.24 178.12 2ksq s LEU 130 N -5.99 4.41 0.57 0.15 1.43 -0.19 -4.89 118.68 114.17 2ksq s LEU 130 Ca -0.01 2.42 0.31 0.00 -1.03 0.00 0.00 54.13 55.83 2ksq s LEU 130 Cb 0.10 -3.61 1.45 0.00 0.03 0.00 0.00 46.19 44.16 2ksq s LEU 130 CO 0.47 -0.56 1.82 -0.65 0.23 0.00 0.00 176.35 177.66 2ksq h PRO 131 N 5.45 0.00 -0.71 1.29 0.11 -1.88 0.47 132.00 136.73 2ksq h PRO 131 Ca -0.45 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 2ksq h PRO 131 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 2ksq h PRO 131 CO 0.78 0.00 0.14 0.39 -0.21 0.00 0.00 178.00 179.10 2ksq n GLU 132 N -3.93 3.99 -2.01 1.05 1.02 -1.26 -4.97 120.64 114.53 2ksq n GLU 132 Ca 0.17 -2.84 -0.42 0.00 -0.02 0.00 0.00 57.16 54.05 2ksq n GLU 132 Cb 0.97 -2.17 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ksq s ALA 133 N -2.70 3.69 0.59 0.62 0.00 0.16 -4.44 121.76 119.69 2ksq s ALA 133 Ca 0.50 1.30 -0.18 0.00 0.00 0.00 0.00 51.96 53.58 2ksq s ALA 133 Cb 0.39 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 2ksq s ALA 133 CO 0.13 -0.73 1.14 1.41 0.00 0.00 0.00 175.76 177.72 2ksq s MET 134 N 0.72 3.10 0.69 0.00 1.75 -1.23 -4.94 119.30 119.39 2ksq s MET 134 Ca 0.66 1.61 -0.11 0.00 -1.25 0.00 0.00 55.69 56.60 2ksq s MET 134 Cb -0.42 -1.97 0.01 0.00 2.84 0.00 0.00 34.83 35.29 2ksq s MET 134 CO 0.34 -1.05 1.08 -1.54 -0.65 0.00 0.00 175.02 173.19 2ksq s SER 135 N -1.93 5.54 0.39 1.11 1.04 -1.26 -4.94 113.70 113.65 2ksq s SER 135 Ca 0.72 1.26 0.13 0.00 0.48 0.00 0.00 55.95 58.55 2ksq s SER 135 Cb -0.25 -2.13 0.78 0.00 0.10 0.00 0.00 66.02 64.53 2ksq s SER 135 CO 0.32 -1.30 1.86 0.00 0.98 0.00 0.00 173.24 175.10 2ksq h ALA 136 N -0.62 1.43 -0.22 5.32 0.00 -2.00 -2.77 119.26 120.40 2ksq h ALA 136 Ca -0.45 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.04 2ksq h ALA 136 Cb 1.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2ksq h ALA 136 CO 0.62 0.42 -0.36 0.00 0.00 0.00 0.00 179.25 179.93 2ksq h ALA 137 N 1.67 0.96 0.00 0.00 0.00 -1.99 -2.30 119.26 117.60 2ksq h ALA 137 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2ksq h ALA 137 Cb 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ksq h ALA 137 CO 0.04 0.62 -0.08 0.93 0.00 0.00 0.00 179.25 180.76 2ksq h GLU 138 N 0.41 0.05 -0.87 0.00 3.07 -1.90 -2.52 114.58 112.82 2ksq h GLU 138 Ca 0.04 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.88 2ksq h GLU 138 Cb 0.83 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.71 2ksq h GLU 138 CO 0.07 0.88 0.56 0.82 -1.40 0.00 0.00 179.01 179.95 2ksq h ILE 139 N -0.76 1.15 -0.12 3.13 2.04 -1.56 -1.68 117.51 119.70 2ksq h ILE 139 Ca -0.01 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2ksq h ILE 139 Cb 0.92 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2ksq h ILE 139 CO 0.02 0.20 -0.06 0.00 0.00 0.00 0.00 178.15 178.31 2ksq h THR 140 N 1.10 1.32 0.42 -0.27 1.03 -1.52 -2.70 112.91 112.29 2ksq h THR 140 Ca 0.35 -1.09 -0.01 0.00 -0.01 0.00 0.00 66.41 65.64 2ksq h THR 140 Cb -0.00 1.80 -0.01 0.00 -1.07 0.00 0.00 68.15 68.87 2ksq h THR 140 CO -0.11 0.31 -0.28 -0.08 -0.01 0.00 0.00 175.52 175.35 2ksq h GLU 141 N -0.11 -0.65 -0.51 0.00 4.57 -1.24 -2.21 114.58 114.44 2ksq h GLU 141 Ca 0.03 0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.36 2ksq h GLU 141 Cb 0.52 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 2ksq h GLU 141 CO 0.02 -0.44 0.35 0.87 -1.18 0.00 0.00 179.01 178.63 2ksq h LYS 142 N -0.68 0.19 0.00 1.92 1.79 -1.40 0.18 116.57 118.58 2ksq h LYS 142 Ca -0.04 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2ksq h LYS 142 Cb 0.57 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2ksq h LYS 142 CO 0.03 0.13 0.00 1.28 -1.08 0.00 0.00 179.45 179.81 2ksq n LEU 143 N -4.44 0.00 -3.30 2.94 7.99 -0.97 -4.89 117.00 114.33 2ksq n LEU 143 Ca 0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.86 2ksq n LEU 143 Cb 0.44 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.81 2ksq n LEU 143 CO 0.35 0.00 0.18 0.61 -1.51 0.00 0.00 177.39 177.02 2ksq n GLY 144 N 0.89 -0.47 0.29 -0.72 0.00 0.64 -4.91 105.19 100.92 2ksq n GLY 144 Ca 0.21 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.27 1.00 -2.03 0.99 4.07 -1.59 -2.73 115.31 112.74 2ksq h LEU 145 Ca -0.53 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.14 2ksq h LEU 145 Cb 1.35 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.82 2ksq h LEU 145 CO 0.53 1.04 0.00 0.45 -1.08 0.00 0.00 178.44 179.38 2ksq h HIS 146 N 0.92 0.00 -0.03 1.13 3.86 -1.89 -1.89 115.15 117.25 2ksq h HIS 146 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2ksq h HIS 146 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2ksq h HIS 146 CO 0.04 0.00 -0.06 0.43 0.86 0.00 0.00 177.93 179.20 2ksq n SER 147 N -2.78 2.70 -4.34 2.45 7.64 -1.04 -4.87 113.62 113.38 2ksq n SER 147 Ca -0.01 -1.85 -0.40 0.00 1.01 0.00 0.00 58.87 57.61 2ksq n SER 147 Cb 0.13 0.07 -0.11 0.00 -1.01 0.00 0.00 64.21 63.29 2ksq n SER 147 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ksq s ILE 148 N -1.89 4.46 -0.12 0.44 1.01 -0.71 -4.89 121.20 119.50 2ksq s ILE 148 Ca 0.24 -1.04 0.19 0.00 0.00 0.00 0.00 60.65 60.04 2ksq s ILE 148 Cb 0.18 -3.57 0.43 0.00 0.01 0.00 0.00 42.46 39.52 2ksq s ILE 148 CO 0.31 -0.33 1.19 -1.14 0.00 0.00 0.00 174.94 174.97 2ksq n ARG 149 N 4.97 0.95 0.00 2.79 0.63 -1.26 -4.73 116.66 120.01 2ksq n ARG 149 Ca -0.11 -2.75 0.02 0.00 -0.92 0.00 0.00 57.85 54.09 2ksq n ARG 149 Cb 0.45 -0.89 -0.01 0.00 0.45 0.00 0.00 32.46 32.46 2ksq n ARG 149 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2ksq n ASN 150 N -0.30 0.56 -3.75 6.15 5.15 -1.26 -5.01 115.26 116.80 2ksq n ASN 150 Ca 0.13 -0.78 -0.12 0.00 -0.60 0.00 0.00 54.58 53.21 2ksq n ASN 150 Cb 0.93 0.72 -0.12 0.00 -0.53 0.00 0.00 39.78 40.78 2ksq n ASN 150 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2ksq s ARG 151 N -1.16 0.30 -0.36 1.20 3.00 -1.26 -5.11 118.95 115.55 2ksq s ARG 151 Ca 0.03 0.48 -0.28 0.00 0.00 0.00 0.00 55.73 55.96 2ksq s ARG 151 Cb 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 34.95 35.02 2ksq s ARG 151 CO 0.16 -0.09 1.88 -1.25 0.00 0.00 0.00 175.30 176.00 2ksq s PRO 152 N 0.63 3.17 0.08 3.54 0.04 -1.26 -4.98 135.00 136.23 2ksq s PRO 152 Ca -0.04 1.41 0.07 0.00 0.04 0.00 0.00 61.00 62.48 2ksq s PRO 152 Cb -0.05 -4.26 -0.03 0.00 0.04 0.00 0.00 34.50 30.20 2ksq s PRO 152 CO -0.04 -2.05 -0.19 1.67 0.04 0.00 0.00 177.00 176.43 2ksq s TRP 153 N 7.56 1.61 0.00 0.56 1.48 -1.26 -2.26 118.94 126.64 2ksq s TRP 153 Ca 0.82 -0.42 -0.00 0.00 -1.06 0.00 0.00 56.10 55.44 2ksq s TRP 153 Cb -0.22 -0.90 -0.00 0.00 -1.16 0.00 0.00 33.47 31.18 2ksq s TRP 153 CO 0.32 0.15 -0.00 0.12 -4.06 0.00 0.00 176.95 173.47 2ksq s PHE 154 N -1.13 0.05 -0.17 1.66 5.36 -1.03 -5.02 117.98 117.70 2ksq s PHE 154 Ca 0.04 -0.10 -0.02 0.00 -0.96 0.00 0.00 56.93 55.89 2ksq s PHE 154 Cb -0.10 -0.04 -0.01 0.00 -0.34 0.00 0.00 43.02 42.53 2ksq s PHE 154 CO 0.03 -0.04 -0.10 -1.50 -1.46 0.00 0.00 175.22 172.15 2ksq s ILE 155 N -0.31 3.11 -0.04 3.12 2.07 -1.26 0.40 121.20 128.29 2ksq s ILE 155 Ca -0.03 -0.61 0.02 0.00 -1.41 0.00 0.00 60.65 58.61 2ksq s ILE 155 Cb -0.02 -2.35 0.02 0.00 0.13 0.00 0.00 42.46 40.23 2ksq s ILE 155 CO -0.00 0.49 -0.07 -1.10 -1.91 0.00 0.00 174.94 172.34 2ksq s GLN 156 N 0.85 1.05 -0.34 3.50 -1.52 -0.10 -4.99 119.66 118.11 2ksq s GLN 156 Ca -0.03 -0.22 -0.22 0.00 -1.95 0.00 0.00 55.36 52.94 2ksq s GLN 156 Cb -0.15 -0.97 0.00 0.00 -0.22 0.00 0.00 33.01 31.67 2ksq s GLN 156 CO 0.01 -0.01 0.72 0.00 -0.25 0.00 0.00 175.29 175.76 2ksq s ALA 157 N 0.66 3.48 0.25 6.09 0.00 -1.26 -0.72 121.76 130.25 2ksq s ALA 157 Ca -0.10 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2ksq s ALA 157 Cb -0.13 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 2ksq s ALA 157 CO 0.01 -1.30 0.02 0.95 0.00 0.00 0.00 175.76 175.44 2ksq s THR 158 N 2.88 1.00 -0.29 0.00 -4.23 -1.14 -4.85 115.64 109.01 2ksq s THR 158 Ca 0.29 -2.03 -0.00 0.00 -1.18 0.00 0.00 61.69 58.77 2ksq s THR 158 Cb -0.14 -2.44 0.09 0.00 1.34 0.00 0.00 72.50 71.35 2ksq s THR 158 CO 0.14 -0.24 0.06 0.00 -0.54 0.00 0.00 174.62 174.04 2ksq h ALA 160 N 8.02 0.89 -0.94 0.00 0.00 -1.93 0.84 119.26 126.15 2ksq h ALA 160 Ca -0.13 -0.46 0.21 0.00 0.00 0.00 0.00 54.91 54.53 2ksq h ALA 160 Cb 1.04 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 2ksq h ALA 160 CO 0.45 0.65 0.61 1.15 0.00 0.00 0.00 179.25 182.11 2ksq h THR 161 N 0.37 0.67 0.00 0.00 2.02 -1.94 -2.97 112.91 111.06 2ksq h THR 161 Ca 0.02 -0.16 -0.32 0.00 0.77 0.00 0.00 66.41 66.73 2ksq h THR 161 Cb 0.94 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 2ksq h THR 161 CO 0.08 0.08 -2.17 -0.24 0.37 0.00 0.00 175.52 173.65 2ksq n SER 162 N -4.55 2.26 0.00 4.18 2.88 -1.14 -4.72 113.62 112.52 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 0.70 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 2.37 0.89 3.76 0.46 0.00 0.29 -4.92 105.19 108.04 2ksq n GLY 163 Ca -0.37 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 2ksq n GLY 163 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ksq s GLU 164 N -0.58 4.45 0.00 1.61 -1.05 -1.07 -2.96 118.70 119.10 2ksq s GLU 164 Ca 0.00 2.07 0.00 0.00 -0.15 0.00 0.00 54.97 56.89 2ksq s GLU 164 Cb 0.00 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.57 2ksq s GLU 164 CO 0.00 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.55 2ksq n GLY 165 N 1.10 2.92 0.23 -3.83 0.00 -1.26 -2.73 105.19 101.62 2ksq n GLY 165 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 0.72 -0.49 0.99 3.38 -1.88 -2.81 115.31 115.22 2ksq h LEU 166 Ca 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2ksq h LEU 166 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2ksq h LEU 166 CO 0.00 0.80 0.31 1.88 0.09 0.00 0.00 178.44 181.52 2ksq h TYR 167 N 0.60 0.63 -0.82 1.13 -1.99 -1.90 -2.42 116.97 112.20 2ksq h TYR 167 Ca 0.13 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.93 2ksq h TYR 167 Cb 0.40 -0.21 -0.05 0.00 2.00 0.00 0.00 36.73 38.87 2ksq h TYR 167 CO 0.03 0.41 0.53 1.49 -0.00 0.00 0.00 178.16 180.63 2ksq h GLU 168 N 0.66 0.88 -0.31 4.88 4.57 -1.93 -2.49 114.58 120.83 2ksq h GLU 168 Ca 0.18 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.32 2ksq h GLU 168 Cb -0.05 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.32 2ksq h GLU 168 CO -0.04 0.58 0.18 0.78 -1.18 0.00 0.00 179.01 179.34 2ksq h GLY 169 N 0.91 0.43 2.00 1.92 0.00 -1.17 -1.51 103.07 105.64 2ksq h GLY 169 Ca 0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 2ksq h GLY 169 CO -0.12 0.13 -0.10 -2.00 0.00 0.00 0.00 176.54 174.44 2ksq h LEU 170 N 0.37 0.00 0.12 3.11 5.85 -1.36 -2.93 115.31 120.48 2ksq h LEU 170 Ca 0.12 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.59 2ksq h LEU 170 Cb -0.00 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.05 2ksq h LEU 170 CO -0.05 0.10 -1.06 -0.08 -0.34 0.00 0.00 178.44 177.01 2ksq h GLU 171 N 0.00 0.50 -0.34 1.25 4.57 -0.93 -2.90 114.58 116.74 2ksq h GLU 171 Ca -0.00 -0.70 -0.14 0.00 -1.18 0.00 0.00 59.36 57.34 2ksq h GLU 171 Cb 0.48 0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2ksq h GLU 171 CO 0.01 1.31 -0.34 0.11 -1.18 0.00 0.00 179.01 178.92 2ksq h TRP 172 N 0.03 0.88 -0.37 0.92 5.08 -1.23 -2.75 115.95 118.52 2ksq h TRP 172 Ca -0.17 -0.24 -0.08 0.00 1.08 0.00 0.00 58.89 59.49 2ksq h TRP 172 Cb 1.78 -0.20 -0.01 0.00 -3.00 0.00 0.00 29.16 27.73 2ksq h TRP 172 CO 0.14 0.99 -0.07 1.25 -1.28 0.00 0.00 178.44 179.47 2ksq h LEU 173 N 0.63 0.69 -1.88 0.11 6.46 -1.63 -2.65 115.31 117.05 2ksq h LEU 173 Ca 0.07 -0.35 0.04 0.00 -0.12 0.00 0.00 57.88 57.52 2ksq h LEU 173 Cb 0.87 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 2ksq h LEU 173 CO 0.08 0.88 0.17 -1.28 -0.62 0.00 0.00 178.44 177.67 2ksq h SER 174 N 0.49 0.14 0.51 1.25 0.87 -1.45 -0.69 113.55 114.67 2ksq h SER 174 Ca 0.10 -0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.50 2ksq h SER 174 Cb 0.56 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2ksq h SER 174 CO 0.03 0.09 -0.68 0.78 -0.53 0.00 0.00 176.83 176.53 2ksq h ASN 175 N 0.16 0.17 0.75 6.23 2.35 -1.19 -2.93 115.58 121.13 2ksq h ASN 175 Ca 0.11 -0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 2ksq h ASN 175 Cb 0.24 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2ksq h ASN 175 CO -0.02 0.80 -0.57 0.00 -1.65 0.00 0.00 177.43 175.99 2ksq n LEU 177 N -3.67 3.27 0.00 0.00 7.99 -1.06 -4.46 117.00 119.07 2ksq n LEU 177 Ca -0.01 -1.30 0.00 0.00 -0.01 0.00 0.00 56.01 54.69 2ksq n LEU 177 Cb 0.62 -0.15 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 2ksq n LEU 177 CO 0.41 0.65 -0.36 1.17 -1.51 0.00 0.00 177.39 177.75 2ksq n LYS 178 N 1.43 0.87 0.00 3.23 0.00 -1.11 -5.10 118.16 117.47 2ksq n LYS 178 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.48 2ksq n LYS 178 Cb 0.60 -0.86 0.00 0.00 0.00 0.00 0.00 35.03 34.77 2ksq n LYS 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2ksq n ASN 179 N -2.02 0.00 -0.07 3.14 4.13 0.98 -5.07 115.26 116.36 2ksq n ASN 179 Ca 0.00 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.19 2ksq n ASN 179 Cb 0.36 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.57 2ksq n ASN 179 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2ksq n SER 180 N 0.00 1.79 0.00 6.41 2.88 -1.24 -4.87 113.62 118.59 2ksq n SER 180 Ca 0.00 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 2ksq n SER 180 Cb 0.00 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 2ksq n SER 180 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22