#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 0.05 -0.26 0.99 7.12 -2.05 -2.37 115.31 118.79 2ksq h LEU 3 Ca 0.00 -0.47 -0.06 0.00 0.13 0.00 0.00 57.88 57.47 2ksq h LEU 3 Cb 0.00 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.11 2ksq h LEU 3 CO 0.00 0.51 -0.09 0.15 -0.13 0.00 0.00 178.44 178.88 2ksq h PHE 4 N -0.41 0.59 0.44 1.25 3.04 -2.06 -2.80 116.94 116.99 2ksq h PHE 4 Ca 0.00 -0.14 -0.01 0.00 3.98 0.00 0.00 57.97 61.81 2ksq h PHE 4 Cb 0.50 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 2ksq h PHE 4 CO 0.09 0.75 -0.43 0.00 -2.02 0.00 0.00 178.31 176.71 2ksq h ALA 5 N 0.75 -0.95 -0.90 2.41 0.00 -2.00 -1.29 119.26 117.27 2ksq h ALA 5 Ca 0.06 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 54.97 2ksq h ALA 5 Cb 0.58 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 2ksq h ALA 5 CO 0.03 -1.07 0.58 0.66 0.00 0.00 0.00 179.25 179.45 2ksq h SER 6 N -0.88 0.63 0.09 0.00 4.64 -1.49 -1.71 113.55 114.83 2ksq h SER 6 Ca -0.04 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ksq h SER 6 Cb 0.77 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2ksq h SER 6 CO -0.06 0.30 -0.04 0.11 -0.87 0.00 0.00 176.83 176.27 2ksq h LYS 7 N 0.65 -0.12 -0.49 4.77 1.57 -1.17 -2.01 116.57 119.78 2ksq h LYS 7 Ca 0.46 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.39 2ksq h LYS 7 Cb 0.81 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 2ksq h LYS 7 CO -0.22 0.14 0.39 -0.07 -0.57 0.00 0.00 179.45 179.12 2ksq h LEU 8 N -0.37 0.00 -0.14 2.94 -0.00 -0.37 0.17 115.31 117.54 2ksq h LEU 8 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.64 2ksq h LEU 8 Cb 0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.97 2ksq h LEU 8 CO 0.02 0.00 -0.99 0.15 -0.00 0.00 0.00 178.44 177.62 2ksq h PHE 9 N 0.00 0.43 -0.42 1.13 3.04 -1.06 -3.24 116.94 116.82 2ksq h PHE 9 Ca 0.23 -0.26 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 2ksq h PHE 9 Cb 1.00 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.45 2ksq h PHE 9 CO 0.00 1.11 0.23 1.03 -2.02 0.00 0.00 178.31 178.65 2ksq h SER 10 N 0.14 0.51 0.34 0.41 0.87 0.07 -1.31 113.55 114.57 2ksq h SER 10 Ca -0.08 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 2ksq h SER 10 Cb 1.65 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.48 2ksq h SER 10 CO 0.16 0.42 -0.08 0.78 -0.53 0.00 0.00 176.83 177.58 2ksq h ASN 11 N 0.59 0.00 -0.96 6.23 2.35 -1.53 0.19 115.58 122.46 2ksq h ASN 11 Ca 0.15 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 56.03 2ksq h ASN 11 Cb 0.02 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.31 2ksq h ASN 11 CO -0.02 0.08 0.58 0.25 -1.65 0.00 0.00 177.43 176.66 2ksq h LEU 12 N 0.00 0.82 0.00 1.61 6.46 -1.37 -2.89 115.31 119.95 2ksq h LEU 12 Ca -0.00 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2ksq h LEU 12 Cb 0.27 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 2ksq h LEU 12 CO 0.01 0.42 -1.49 2.22 -0.62 0.00 0.00 178.44 178.98 2ksq n PHE 13 N -4.69 0.00 0.31 1.25 1.16 -1.06 -4.47 117.46 109.96 2ksq n PHE 13 Ca 0.18 0.00 0.18 0.00 -1.87 0.00 0.00 57.45 55.94 2ksq n PHE 13 Cb 0.38 -0.26 1.00 0.00 -1.61 0.00 0.00 39.48 38.99 2ksq n PHE 13 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 2ksq h GLY 14 N 2.33 0.00 -1.61 4.97 0.00 -0.76 -3.43 103.07 104.57 2ksq h GLY 14 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 2ksq h GLY 14 CO 0.00 0.00 0.37 -1.31 0.00 0.00 0.00 176.54 175.60 2ksq s ASN 15 N -5.82 6.39 -0.30 0.19 0.02 -1.12 -5.00 114.94 109.30 2ksq s ASN 15 Ca -0.05 1.43 0.08 0.00 -1.02 0.00 0.00 52.86 53.30 2ksq s ASN 15 Cb 0.14 -2.46 0.48 0.00 0.02 0.00 0.00 41.25 39.43 2ksq s ASN 15 CO 0.50 -0.72 1.41 2.29 0.02 0.00 0.00 177.10 180.60 2ksq n LYS 16 N -2.21 2.18 -3.70 -0.60 0.00 -1.26 -4.96 118.16 107.60 2ksq n LYS 16 Ca 0.06 -3.41 -0.13 0.00 -0.00 0.00 0.00 58.31 54.82 2ksq n LYS 16 Cb 0.54 -1.90 -0.14 0.00 -0.00 0.00 0.00 35.03 33.53 2ksq n LYS 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2ksq s GLU 17 N -3.36 0.15 0.10 -1.58 2.12 -1.26 0.10 118.70 114.97 2ksq s GLU 17 Ca 0.46 0.58 0.06 0.00 0.36 0.00 0.00 54.97 56.43 2ksq s GLU 17 Cb 0.41 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 2ksq s GLU 17 CO -0.01 -0.22 -0.03 -1.64 -0.54 0.00 0.00 175.26 172.83 2ksq s MET 18 N 1.74 2.43 -0.22 4.30 -1.94 -0.96 -4.89 119.30 119.76 2ksq s MET 18 Ca -0.05 -0.90 -0.11 0.00 -1.71 0.00 0.00 55.69 52.92 2ksq s MET 18 Cb -0.11 -2.47 -0.05 0.00 2.01 0.00 0.00 34.83 34.21 2ksq s MET 18 CO -0.08 0.53 0.17 1.03 -0.01 0.00 0.00 175.02 176.66 2ksq s ARG 19 N -2.33 4.14 0.08 2.03 0.52 -1.26 -2.10 118.95 120.03 2ksq s ARG 19 Ca 0.25 -0.19 0.06 0.00 -0.52 0.00 0.00 55.73 55.33 2ksq s ARG 19 Cb -0.11 -3.49 -0.03 0.00 0.52 0.00 0.00 34.95 31.84 2ksq s ARG 19 CO 0.17 0.16 -0.17 0.42 0.02 0.00 0.00 175.30 175.90 2ksq s ILE 20 N 0.76 1.37 0.00 1.52 -1.09 0.16 -0.18 121.20 123.75 2ksq s ILE 20 Ca 0.09 -1.40 0.03 0.00 -2.23 0.00 0.00 60.65 57.14 2ksq s ILE 20 Cb -0.13 -1.28 -0.01 0.00 -1.58 0.00 0.00 42.46 39.47 2ksq s ILE 20 CO 0.02 -0.15 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.27 2ksq s LEU 21 N -1.80 2.06 -0.18 2.97 2.96 -1.12 -1.21 118.68 122.37 2ksq s LEU 21 Ca 0.02 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2ksq s LEU 21 Cb -0.10 -0.42 0.03 0.00 0.50 0.00 0.00 46.19 46.20 2ksq s LEU 21 CO 0.03 0.06 -0.14 -0.04 -1.32 0.00 0.00 176.35 174.94 2ksq s MET 22 N -0.46 2.34 0.38 1.98 -1.94 0.13 0.12 119.30 121.85 2ksq s MET 22 Ca 0.02 -0.73 -0.09 0.00 -1.71 0.00 0.00 55.69 53.17 2ksq s MET 22 Cb -0.04 -2.32 0.04 0.00 2.01 0.00 0.00 34.83 34.51 2ksq s MET 22 CO -0.00 -0.31 0.66 1.33 -0.01 0.00 0.00 175.02 176.70 2ksq n VAL 23 N 4.70 0.00 0.00 -6.03 0.24 -1.14 -1.80 118.33 114.30 2ksq n VAL 23 Ca -0.17 -1.40 0.00 0.00 -2.04 0.00 0.00 64.34 60.73 2ksq n VAL 23 Cb 0.49 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 2ksq n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ksq n GLY 24 N -0.57 0.21 3.90 7.63 0.00 -1.26 -2.86 105.19 112.23 2ksq n GLY 24 Ca -0.04 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 2ksq n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ksq s LEU 25 N 0.00 3.84 0.00 0.99 1.43 -1.26 -4.05 118.68 119.63 2ksq s LEU 25 Ca 0.00 0.88 0.25 0.00 -1.03 0.00 0.00 54.13 54.23 2ksq s LEU 25 Cb 0.00 -3.77 1.42 0.00 0.03 0.00 0.00 46.19 43.87 2ksq s LEU 25 CO 0.00 -0.39 1.84 -0.90 0.23 0.00 0.00 176.35 177.13 2ksq n ASP 26 N -1.57 0.00 0.00 2.29 5.68 -1.26 -3.21 116.55 118.47 2ksq n ASP 26 Ca -0.00 -0.57 0.00 0.00 -0.50 0.00 0.00 54.79 53.72 2ksq n ASP 26 Cb 0.55 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 2ksq n ASP 26 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ksq n GLY 27 N 0.63 -0.53 0.12 6.12 0.00 -1.26 -4.82 105.19 105.45 2ksq n GLY 27 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.20 0.00 4.61 0.00 -1.89 -3.48 119.26 118.30 2ksq h ALA 28 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ksq h ALA 28 Cb 0.21 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2ksq h ALA 28 CO 0.00 -0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.19 2ksq n GLY 29 N -0.38 0.96 0.13 0.00 0.00 -1.26 -4.72 105.19 99.92 2ksq n GLY 29 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 0.06 -0.26 1.61 -0.00 -1.94 -3.00 116.57 113.05 2ksq h LYS 30 Ca 0.00 -0.05 -0.12 0.00 -0.00 0.00 0.00 60.65 60.49 2ksq h LYS 30 Cb 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 32.23 32.24 2ksq h LYS 30 CO 0.00 0.70 -0.29 1.15 -0.00 0.00 0.00 179.45 181.01 2ksq h THR 31 N 0.04 1.31 -0.20 0.07 2.02 -1.95 -2.27 112.91 111.93 2ksq h THR 31 Ca -0.01 -1.47 0.01 0.00 0.77 0.00 0.00 66.41 65.71 2ksq h THR 31 Cb 1.18 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 2ksq h THR 31 CO 0.09 0.46 0.12 0.74 0.37 0.00 0.00 175.52 177.30 2ksq h THR 32 N 0.37 1.03 -0.23 3.16 2.02 -1.93 -2.83 112.91 114.50 2ksq h THR 32 Ca 0.04 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 2ksq h THR 32 Cb 0.86 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2ksq h THR 32 CO 0.07 0.05 0.09 0.58 0.37 0.00 0.00 175.52 176.68 2ksq h VAL 33 N 0.25 1.17 -0.95 3.16 2.07 -1.55 -2.56 116.25 117.83 2ksq h VAL 33 Ca 0.08 -0.52 0.20 0.00 0.82 0.00 0.00 66.70 67.28 2ksq h VAL 33 Cb -0.01 1.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 2ksq h VAL 33 CO -0.03 0.17 0.61 0.25 0.02 0.00 0.00 177.57 178.60 2ksq h LEU 34 N 0.22 0.53 -0.21 2.57 5.85 -1.30 0.42 115.31 123.39 2ksq h LEU 34 Ca 0.08 0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.66 2ksq h LEU 34 Cb 0.18 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2ksq h LEU 34 CO -0.01 0.20 -0.92 1.88 -0.34 0.00 0.00 178.44 179.25 2ksq h TYR 35 N 0.52 0.19 -0.13 1.25 0.05 -1.29 -2.40 116.97 115.16 2ksq h TYR 35 Ca 0.51 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 59.16 2ksq h TYR 35 Cb 1.11 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 2ksq h TYR 35 CO -0.00 0.97 -0.03 0.87 -1.05 0.00 0.00 178.16 178.92 2ksq h LYS 36 N 0.06 0.25 0.00 4.88 6.56 -0.54 0.74 116.57 128.52 2ksq h LYS 36 Ca -0.04 -0.09 -0.07 0.00 -1.06 0.00 0.00 60.65 59.39 2ksq h LYS 36 Cb 1.58 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 33.22 2ksq h LYS 36 CO 0.13 0.54 -0.31 1.25 -2.06 0.00 0.00 179.45 179.00 2ksq h LEU 37 N -0.06 0.00 0.15 2.94 6.46 -1.45 0.87 115.31 124.22 2ksq h LEU 37 Ca 0.03 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.46 2ksq h LEU 37 Cb 0.44 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 2ksq h LEU 37 CO 0.01 0.31 -1.75 0.50 -0.62 0.00 0.00 178.44 176.89 2ksq h LYS 38 N 0.00 0.31 0.00 1.25 3.11 -1.33 -3.39 116.57 116.52 2ksq h LYS 38 Ca -0.00 -0.52 0.00 0.00 -2.81 0.00 0.00 60.65 57.31 2ksq h LYS 38 Cb 1.02 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 2ksq h LYS 38 CO 0.04 1.25 -1.02 -0.11 -2.81 0.00 0.00 179.45 176.80 2ksq n LEU 39 N -3.66 0.49 0.00 5.20 7.94 0.26 -4.99 117.00 122.24 2ksq n LEU 39 Ca -0.28 -0.35 0.00 0.00 -1.11 0.00 0.00 56.01 54.28 2ksq n LEU 39 Cb 1.02 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.97 2ksq n LEU 39 CO 0.45 0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.46 2ksq n GLY 40 N 1.44 0.87 3.08 -3.96 0.00 0.30 -4.99 105.19 101.92 2ksq n GLY 40 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.17 0.58 -0.09 1.61 0.41 -1.24 -4.98 118.70 114.82 2ksq s GLU 41 Ca 0.00 -0.76 -0.25 0.00 -0.41 0.00 0.00 54.97 53.55 2ksq s GLU 41 Cb 0.00 -0.41 -0.03 0.00 -1.78 0.00 0.00 34.13 31.91 2ksq s GLU 41 CO 0.00 0.08 0.78 0.08 -0.49 0.00 0.00 175.26 175.71 2ksq s VAL 42 N -1.28 4.97 0.43 2.63 1.01 -1.26 -4.08 120.40 122.81 2ksq s VAL 42 Ca -0.08 1.59 0.03 0.00 0.00 0.00 0.00 61.98 63.53 2ksq s VAL 42 Cb -0.10 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2ksq s VAL 42 CO 0.01 0.16 0.06 0.27 0.00 0.00 0.00 175.10 175.60 2ksq s ILE 43 N 1.31 1.05 -0.26 2.22 -5.25 -1.26 -5.11 121.20 113.91 2ksq s ILE 43 Ca 0.40 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 57.77 2ksq s ILE 43 Cb -0.18 -2.45 0.01 0.00 2.95 0.00 0.00 42.46 42.79 2ksq s ILE 43 CO 0.17 0.00 1.12 0.28 -1.79 0.00 0.00 174.94 174.72 2ksq s THR 44 N -3.06 4.50 -0.08 8.37 -1.32 -1.26 -4.98 115.64 117.81 2ksq s THR 44 Ca 0.22 1.77 -0.01 0.00 -1.21 0.00 0.00 61.69 62.46 2ksq s THR 44 Cb 0.04 -4.28 -0.03 0.00 -1.51 0.00 0.00 72.50 66.72 2ksq s THR 44 CO 0.11 -0.31 -0.04 0.28 -2.21 0.00 0.00 174.62 172.45 2ksq s THR 45 N 3.54 3.95 0.34 5.08 -1.32 -1.26 -5.10 115.64 120.86 2ksq s THR 45 Ca 0.48 -0.38 0.09 0.00 -1.21 0.00 0.00 61.69 60.66 2ksq s THR 45 Cb -0.15 -2.64 -0.05 0.00 -1.51 0.00 0.00 72.50 68.14 2ksq s THR 45 CO 0.13 0.59 0.00 0.27 -2.21 0.00 0.00 174.62 173.40 2ksq s ILE 46 N -0.72 2.62 -0.05 5.08 -4.36 -1.26 -5.03 121.20 117.48 2ksq s ILE 46 Ca 0.11 -1.99 -0.32 0.00 -0.26 0.00 0.00 60.65 58.19 2ksq s ILE 46 Cb -0.11 -2.78 -0.10 0.00 1.25 0.00 0.00 42.46 40.72 2ksq s ILE 46 CO 0.02 -0.21 1.96 -2.65 0.24 0.00 0.00 174.94 174.30 2ksq n PRO 47 N -0.94 2.44 -2.79 0.37 -0.02 -1.26 -4.93 135.00 127.87 2ksq n PRO 47 Ca -0.04 0.88 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 2ksq n PRO 47 Cb 0.62 -2.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 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 4.65 4.73 -0.61 3.45 -1.32 -1.26 -4.93 115.64 120.35 2ksq s THR 48 Ca 0.92 1.67 -0.02 0.00 -1.21 0.00 0.00 61.69 63.05 2ksq s THR 48 Cb -0.56 -4.23 0.38 0.00 -1.51 0.00 0.00 72.50 66.57 2ksq s THR 48 CO 0.46 -0.21 2.06 -0.38 -2.21 0.00 0.00 174.62 174.35 2ksq n ILE 49 N 5.43 3.45 0.00 5.08 2.08 -1.26 -4.20 119.36 129.94 2ksq n ILE 49 Ca 0.08 -2.82 0.00 0.00 0.56 0.00 0.00 62.75 60.57 2ksq n ILE 49 Cb 0.47 -1.22 0.00 0.00 -0.75 0.00 0.00 39.64 38.14 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 -0.55 -0.58 3.09 7.39 0.00 -1.26 -5.03 105.19 108.25 2ksq n GLY 50 Ca 0.55 0.29 -0.08 0.00 0.00 0.00 0.00 46.02 46.78 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 -0.20 0.56 -0.18 1.61 -0.12 -1.26 -1.25 117.98 117.14 2ksq s PHE 51 Ca 0.00 -0.98 -0.04 0.00 -0.05 0.00 0.00 56.93 55.85 2ksq s PHE 51 Cb 0.00 -0.39 0.09 0.00 -0.63 0.00 0.00 43.02 42.09 2ksq s PHE 51 CO 0.00 -0.32 0.30 1.21 -0.05 0.00 0.00 175.22 176.36 2ksq s ASN 52 N -2.78 0.49 0.43 1.98 2.47 -0.75 -4.94 114.94 111.84 2ksq s ASN 52 Ca 0.05 0.38 -0.12 0.00 0.42 0.00 0.00 52.86 53.59 2ksq s ASN 52 Cb 0.06 0.80 -0.07 0.00 -1.45 0.00 0.00 41.25 40.59 2ksq s ASN 52 CO -0.08 -0.27 0.83 0.54 -3.72 0.00 0.00 177.10 174.40 2ksq s VAL 53 N 2.45 4.72 -0.09 -5.21 0.11 -1.26 -0.16 120.40 120.96 2ksq s VAL 53 Ca 0.05 0.78 -0.03 0.00 -2.93 0.00 0.00 61.98 59.84 2ksq s VAL 53 Cb -0.14 -3.73 0.05 0.00 -1.53 0.00 0.00 36.38 31.03 2ksq s VAL 53 CO -0.11 -0.57 0.16 -1.61 -3.33 0.00 0.00 175.10 169.64 2ksq s GLU 54 N -3.91 0.04 -0.46 1.54 0.41 -0.40 -4.94 118.70 110.98 2ksq s GLU 54 Ca 0.53 0.55 -0.23 0.00 -0.41 0.00 0.00 54.97 55.41 2ksq s GLU 54 Cb -0.10 -0.32 0.03 0.00 -1.78 0.00 0.00 34.13 31.96 2ksq s GLU 54 CO 0.31 -0.32 0.78 0.00 -0.49 0.00 0.00 175.26 175.55 2ksq s VAL 56 N 3.30 1.97 -0.19 0.00 1.01 0.91 -5.01 120.40 122.40 2ksq s VAL 56 Ca 0.29 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 2ksq s VAL 56 Cb -0.12 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2ksq s VAL 56 CO 0.22 0.55 0.06 -1.58 0.00 0.00 0.00 175.10 174.35 2ksq s GLN 57 N 0.05 3.92 -0.18 2.72 2.00 -1.26 0.13 119.66 127.03 2ksq s GLN 57 Ca -0.09 -0.37 -0.10 0.00 -2.00 0.00 0.00 55.36 52.80 2ksq s GLN 57 Cb -0.15 -3.23 0.06 0.00 0.80 0.00 0.00 33.01 30.49 2ksq s GLN 57 CO 0.05 0.20 0.44 -0.47 -0.50 0.00 0.00 175.29 175.01 2ksq s TYR 58 N 0.57 -0.66 -1.50 1.67 6.14 0.86 -4.92 117.35 119.51 2ksq s TYR 58 Ca 0.03 1.39 -0.13 0.00 0.64 0.00 0.00 57.07 59.01 2ksq s TYR 58 Cb -0.13 0.31 0.07 0.00 0.42 0.00 0.00 41.96 42.63 2ksq s TYR 58 CO 0.01 -0.37 0.94 0.00 0.64 0.00 0.00 175.55 176.77 2ksq n ASN 60 N -2.78 0.00 -4.93 0.00 2.85 -1.26 -5.01 115.26 104.13 2ksq n ASN 60 Ca 0.03 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.22 2ksq n ASN 60 Cb 0.53 -0.28 -0.04 0.00 1.24 0.00 0.00 39.78 41.24 2ksq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2ksq s ILE 61 N -3.38 5.31 -0.79 -1.44 1.01 0.80 -4.86 121.20 117.84 2ksq s ILE 61 Ca 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 2ksq s ILE 61 Cb 0.00 -3.67 0.21 0.00 0.01 0.00 0.00 42.46 39.00 2ksq s ILE 61 CO 0.00 0.00 0.69 -0.44 0.00 0.00 0.00 174.94 175.20 2ksq s SER 62 N -2.93 6.28 -0.29 3.58 0.01 0.29 -0.10 113.70 120.54 2ksq s SER 62 Ca 0.34 -2.87 -0.29 0.00 1.31 0.00 0.00 55.95 54.45 2ksq s SER 62 Cb -0.12 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 64.04 2ksq s SER 62 CO 0.28 -0.47 1.06 -0.36 0.41 0.00 0.00 173.24 174.17 2ksq s PHE 63 N -0.10 3.21 -0.31 2.43 0.08 0.34 -2.26 117.98 121.37 2ksq s PHE 63 Ca 0.19 1.28 -0.06 0.00 0.12 0.00 0.00 56.93 58.46 2ksq s PHE 63 Cb -0.13 -3.55 0.02 0.00 -0.57 0.00 0.00 43.02 38.79 2ksq s PHE 63 CO -0.07 -0.67 0.08 -0.08 -0.10 0.00 0.00 175.22 174.38 2ksq s THR 64 N 3.50 3.86 -0.26 0.64 -1.32 -0.89 -0.06 115.64 121.11 2ksq s THR 64 Ca 0.45 -0.87 -0.04 0.00 -1.21 0.00 0.00 61.69 60.02 2ksq s THR 64 Cb -0.13 -3.06 0.01 0.00 -1.51 0.00 0.00 72.50 67.81 2ksq s THR 64 CO 0.12 -0.01 -0.01 -0.69 -2.21 0.00 0.00 174.62 171.82 2ksq s VAL 65 N 1.46 3.34 -0.20 5.08 1.01 -0.54 0.40 120.40 130.94 2ksq s VAL 65 Ca 0.01 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 2ksq s VAL 65 Cb -0.18 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2ksq s VAL 65 CO 0.02 0.20 0.23 0.26 0.00 0.00 0.00 175.10 175.82 2ksq s TRP 66 N 1.41 3.38 -0.43 5.22 0.52 -0.35 -1.27 118.94 127.42 2ksq s TRP 66 Ca 0.02 0.42 -0.10 0.00 0.02 0.00 0.00 56.10 56.46 2ksq s TRP 66 Cb -0.16 -2.32 0.08 0.00 -1.15 0.00 0.00 33.47 29.92 2ksq s TRP 66 CO -0.02 0.14 0.28 0.34 0.02 0.00 0.00 176.95 177.71 2ksq s ASP 67 N 0.77 5.70 -0.01 2.95 -1.08 0.78 0.19 116.67 125.96 2ksq s ASP 67 Ca 0.12 -1.49 -0.10 0.00 -0.52 0.00 0.00 52.55 50.57 2ksq s ASP 67 Cb -0.13 -2.01 -0.05 0.00 -1.46 0.00 0.00 42.92 39.27 2ksq s ASP 67 CO 0.04 -0.55 0.31 -0.69 0.52 0.00 0.00 175.17 174.79 2ksq s VAL 68 N 1.45 5.22 0.19 1.11 1.01 -0.74 -1.81 120.40 126.83 2ksq s VAL 68 Ca 0.03 0.45 -0.33 0.00 0.00 0.00 0.00 61.98 62.13 2ksq s VAL 68 Cb -0.23 -3.59 -0.14 0.00 0.00 0.00 0.00 36.38 32.42 2ksq s VAL 68 CO 0.03 0.48 1.41 0.61 0.00 0.00 0.00 175.10 177.63 2ksq n GLY 69 N 1.51 0.72 0.14 4.51 0.00 -0.38 -4.51 105.19 107.18 2ksq n GLY 69 Ca -0.14 0.57 0.13 0.00 0.00 0.00 0.00 46.02 46.58 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 4.60 0.00 -2.77 -0.02 0.00 -1.76 -3.34 103.07 99.79 2ksq h GLY 70 Ca -0.45 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.33 2ksq h GLY 70 CO 0.79 0.00 -1.37 -0.18 0.00 0.00 0.00 176.54 175.78 2ksq n GLN 71 N -2.51 -0.06 -0.05 4.80 7.27 -1.26 -4.26 117.38 121.30 2ksq n GLN 71 Ca 0.05 -0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.01 2ksq n GLN 71 Cb 0.45 -1.28 -0.05 0.00 2.41 0.00 0.00 30.24 31.77 2ksq n GLN 71 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 2ksq h ASP 72 N -1.02 0.27 0.58 1.69 2.03 -1.93 0.46 116.42 118.50 2ksq h ASP 72 Ca -0.44 -0.22 0.00 0.00 -0.73 0.00 0.00 57.03 55.65 2ksq h ASP 72 Cb 1.31 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2ksq h ASP 72 CO 0.29 0.42 0.00 -1.14 -1.03 0.00 0.00 179.24 177.78 2ksq n ARG 73 N -4.80 0.19 -0.01 4.15 0.63 -1.26 -2.77 116.66 112.79 2ksq n ARG 73 Ca -0.04 0.47 0.07 0.00 -0.92 0.00 0.00 57.85 57.42 2ksq n ARG 73 Cb 0.16 -1.90 -0.10 0.00 0.45 0.00 0.00 32.46 31.07 2ksq n ARG 73 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2ksq n ILE 74 N -2.25 0.00 -0.20 5.15 5.41 -0.94 -4.54 119.36 121.98 2ksq n ILE 74 Ca 0.01 -0.29 0.28 0.00 1.00 0.00 0.00 62.75 63.75 2ksq n ILE 74 Cb 0.19 0.27 0.70 0.00 -0.71 0.00 0.00 39.64 40.09 2ksq n ILE 74 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2ksq h ARG 75 N 0.00 0.05 -0.32 0.38 0.11 0.10 0.19 114.38 114.89 2ksq h ARG 75 Ca 0.00 -0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 2ksq h ARG 75 Cb 0.57 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.63 2ksq h ARG 75 CO 0.00 0.03 -0.01 0.66 0.10 0.00 0.00 179.97 180.75 2ksq h SER 76 N 0.05 0.46 -0.05 0.08 4.64 -1.80 -2.40 113.55 114.54 2ksq h SER 76 Ca 0.45 -0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.70 2ksq h SER 76 Cb 1.71 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.67 2ksq h SER 76 CO -0.03 0.54 0.18 -0.07 -0.87 0.00 0.00 176.83 176.57 2ksq h LEU 77 N 0.48 0.00 -0.80 5.97 3.38 -0.91 -2.38 115.31 121.04 2ksq h LEU 77 Ca 0.10 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.16 2ksq h LEU 77 Cb 0.33 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 2ksq h LEU 77 CO 0.01 0.00 0.45 -0.50 0.09 0.00 0.00 178.44 178.49 2ksq h TRP 78 N 0.00 0.82 -0.69 1.13 6.55 -1.55 -0.85 115.95 121.36 2ksq h TRP 78 Ca 0.02 0.03 -0.26 0.00 0.95 0.00 0.00 58.89 59.64 2ksq h TRP 78 Cb 0.38 -0.25 -0.15 0.00 -0.86 0.00 0.00 29.16 28.27 2ksq h TRP 78 CO 0.00 0.33 0.33 0.54 -1.05 0.00 0.00 178.44 178.59 2ksq n ARG 79 N -4.76 2.93 -0.00 0.49 1.74 -0.90 -3.29 116.66 112.88 2ksq n ARG 79 Ca 0.13 -2.55 0.01 0.00 -0.77 0.00 0.00 57.85 54.66 2ksq n ARG 79 Cb 0.27 -2.05 -0.01 0.00 -1.02 0.00 0.00 32.46 29.66 2ksq n ARG 79 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2ksq n HIS 80 N -0.31 0.00 -1.33 -1.55 -0.00 -0.34 -4.80 115.22 106.89 2ksq n HIS 80 Ca 0.39 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.57 2ksq n HIS 80 Cb 1.30 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 31.15 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 -1.53 0.00 -0.28 1.57 4.01 -1.14 -4.89 117.16 114.90 2ksq n TYR 81 Ca -0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.77 2ksq n TYR 81 Cb 0.03 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.23 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 0.79 0.00 -0.72 -0.00 -1.79 -3.45 116.97 111.80 2ksq h TYR 82 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.76 2ksq h TYR 82 Cb 1.10 -0.24 0.00 0.00 -0.00 0.00 0.00 36.73 37.59 2ksq h TYR 82 CO 0.02 0.30 0.00 0.00 -0.00 0.00 0.00 178.16 178.48 2ksq n ASN 84 N 1.68 -2.56 -4.71 0.00 2.85 -1.26 -5.14 115.26 106.12 2ksq n ASN 84 Ca 0.00 -2.59 -0.41 0.00 -0.11 0.00 0.00 54.58 51.47 2ksq n ASN 84 Cb 0.00 1.45 -0.03 0.00 1.24 0.00 0.00 39.78 42.44 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 0.67 4.89 -0.03 -0.44 -4.23 -1.23 -4.60 115.64 110.68 2ksq s THR 85 Ca 0.29 1.92 0.12 0.00 -1.18 0.00 0.00 61.69 62.84 2ksq s THR 85 Cb 0.15 -4.25 -0.16 0.00 1.34 0.00 0.00 72.50 69.57 2ksq s THR 85 CO -0.14 0.19 1.00 -0.33 -0.54 0.00 0.00 174.62 174.80 2ksq h GLU 86 N 6.71 0.00 -1.94 3.99 4.39 -0.92 -3.42 114.58 123.39 2ksq h GLU 86 Ca -0.41 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.35 2ksq h GLU 86 Cb 1.21 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.66 2ksq h GLU 86 CO 0.75 0.61 -0.04 0.20 -1.16 0.00 0.00 179.01 179.37 2ksq s GLY 87 N -4.83 -0.65 -0.13 -3.84 0.00 -0.86 -2.82 107.32 94.20 2ksq s GLY 87 Ca -0.01 2.44 -0.04 0.00 0.00 0.00 0.00 44.72 47.10 2ksq s GLY 87 CO 0.81 2.78 0.02 -1.34 0.00 0.00 0.00 173.10 175.37 2ksq s VAL 88 N 2.30 4.41 -0.32 1.40 -7.23 -0.49 -2.79 120.40 117.69 2ksq s VAL 88 Ca -0.08 -0.19 -0.18 0.00 -1.81 0.00 0.00 61.98 59.73 2ksq s VAL 88 Cb -0.09 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 33.92 2ksq s VAL 88 CO -0.19 0.54 0.52 -0.63 -0.31 0.00 0.00 175.10 175.02 2ksq s ILE 89 N -0.20 5.03 -0.22 -0.62 1.01 0.33 0.08 121.20 126.61 2ksq s ILE 89 Ca 0.06 0.55 -0.16 0.00 0.00 0.00 0.00 60.65 61.11 2ksq s ILE 89 Cb -0.12 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2ksq s ILE 89 CO 0.02 -0.10 0.39 -0.36 0.00 0.00 0.00 174.94 174.89 2ksq s PHE 90 N 2.38 3.34 -0.11 3.97 0.08 0.31 -2.91 117.98 125.04 2ksq s PHE 90 Ca 0.20 0.56 -0.21 0.00 0.12 0.00 0.00 56.93 57.60 2ksq s PHE 90 Cb -0.15 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 39.72 2ksq s PHE 90 CO 0.12 -0.07 0.58 0.54 -0.10 0.00 0.00 175.22 176.29 2ksq s VAL 91 N 1.54 5.11 -0.13 -0.44 0.11 -1.14 -2.41 120.40 123.04 2ksq s VAL 91 Ca 0.18 1.17 -0.01 0.00 -2.93 0.00 0.00 61.98 60.39 2ksq s VAL 91 Cb -0.15 -3.92 0.04 0.00 -1.53 0.00 0.00 36.38 30.82 2ksq s VAL 91 CO 0.08 0.27 -0.01 0.68 -3.33 0.00 0.00 175.10 172.79 2ksq s VAL 92 N 0.88 0.67 0.06 2.04 -7.23 -1.17 -4.48 120.40 111.17 2ksq s VAL 92 Ca 0.31 -0.29 -0.31 0.00 -1.81 0.00 0.00 61.98 59.88 2ksq s VAL 92 Cb -0.16 -0.91 -0.08 0.00 0.56 0.00 0.00 36.38 35.78 2ksq s VAL 92 CO 0.13 0.11 1.66 -1.81 -0.31 0.00 0.00 175.10 174.89 2ksq s ASP 93 N 1.83 6.61 0.03 4.85 1.01 -1.26 -0.19 116.67 129.54 2ksq s ASP 93 Ca 0.02 2.47 0.01 0.00 0.71 0.00 0.00 52.55 55.76 2ksq s ASP 93 Cb -0.14 -2.56 -0.26 0.00 1.01 0.00 0.00 42.92 40.97 2ksq s ASP 93 CO -0.07 -0.89 0.96 0.77 0.21 0.00 0.00 175.17 176.15 2ksq h SER 94 N 8.49 0.25 -0.03 0.27 4.64 -1.60 -3.31 113.55 122.26 2ksq h SER 94 Ca -0.42 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 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 0.93 1.28 0.00 0.59 -0.87 0.00 0.00 176.83 178.76 2ksq n ASN 95 N -3.38 1.16 -4.00 4.97 3.02 -1.26 -4.49 115.26 111.28 2ksq n ASN 95 Ca -0.12 -1.41 -0.36 0.00 -0.03 0.00 0.00 54.58 52.66 2ksq n ASN 95 Cb 1.02 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 40.12 2ksq n ASN 95 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ksq n ASP 96 N -0.08 4.49 0.22 6.41 8.00 -1.25 -4.86 116.55 129.48 2ksq n ASP 96 Ca 0.20 -3.22 0.07 0.00 0.71 0.00 0.00 54.79 52.55 2ksq n ASP 96 Cb 0.29 -1.03 0.51 0.00 -0.02 0.00 0.00 41.12 40.87 2ksq n ASP 96 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2ksq h ARG 97 N 5.64 0.00 -0.57 -1.24 -0.00 -1.85 -2.67 114.38 113.69 2ksq h ARG 97 Ca 0.17 0.00 0.07 0.00 -0.50 0.00 0.00 59.98 59.72 2ksq h ARG 97 Cb 0.76 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.67 2ksq h ARG 97 CO 0.93 0.26 0.25 1.03 0.00 0.00 0.00 179.97 182.44 2ksq h SER 98 N 0.00 0.31 0.03 7.04 0.87 -1.98 -2.42 113.55 117.41 2ksq h SER 98 Ca -0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2ksq h SER 98 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2ksq h SER 98 CO 0.03 0.20 -0.20 0.54 -0.53 0.00 0.00 176.83 176.88 2ksq n ARG 99 N -4.93 1.53 -0.08 2.24 1.74 -1.16 -4.51 116.66 111.49 2ksq n ARG 99 Ca 0.07 -1.14 0.23 0.00 -0.77 0.00 0.00 57.85 56.24 2ksq n ARG 99 Cb 0.21 -1.48 0.48 0.00 -1.02 0.00 0.00 32.46 30.65 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 2.79 0.08 0.04 0.55 6.09 -1.08 0.72 117.51 126.69 2ksq h ILE 100 Ca 0.00 0.00 -0.29 0.00 -1.37 0.00 0.00 64.86 63.20 2ksq h ILE 100 Cb 0.72 0.17 -0.04 0.00 0.47 0.00 0.00 36.82 38.14 2ksq h ILE 100 CO 0.00 0.00 -1.62 1.23 -3.07 0.00 0.00 178.15 174.69 2ksq h GLY 101 N 0.00 0.09 1.85 8.18 0.00 -1.79 -3.04 103.07 108.35 2ksq h GLY 101 Ca 0.36 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.35 2ksq h GLY 101 CO -0.00 0.20 -0.51 0.83 0.00 0.00 0.00 176.54 177.05 2ksq h GLU 102 N 0.02 0.16 -0.02 4.80 5.08 0.10 0.40 114.58 125.13 2ksq h GLU 102 Ca -0.26 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 2ksq h GLU 102 Cb 1.98 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.24 2ksq h GLU 102 CO 0.10 0.63 -0.12 0.00 -1.00 0.00 0.00 179.01 178.63 2ksq h ALA 103 N 1.35 0.04 -0.43 3.43 0.00 -1.42 -1.87 119.26 120.36 2ksq h ALA 103 Ca 0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 2ksq h ALA 103 Cb 0.94 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2ksq h ALA 103 CO 0.07 -0.03 -0.23 0.07 0.00 0.00 0.00 179.25 179.13 2ksq h ARG 104 N -0.53 0.88 -0.30 0.00 -0.00 -1.53 -2.79 114.38 110.11 2ksq h ARG 104 Ca -0.01 -0.37 -0.14 0.00 -0.00 0.00 0.00 59.98 59.46 2ksq h ARG 104 Cb 0.81 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.74 2ksq h ARG 104 CO 0.02 1.02 -0.38 1.49 -0.00 0.00 0.00 179.97 182.12 2ksq h GLU 105 N 0.76 0.71 -0.31 0.08 4.22 -1.00 -2.84 114.58 116.21 2ksq h GLU 105 Ca 0.10 -0.36 -0.06 0.00 0.08 0.00 0.00 59.36 59.12 2ksq h GLU 105 Cb 0.78 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2ksq h GLU 105 CO 0.06 0.97 -0.07 -0.24 -2.18 0.00 0.00 179.01 177.55 2ksq h VAL 106 N 0.58 1.21 -0.43 0.32 3.04 -1.28 -2.54 116.25 117.16 2ksq h VAL 106 Ca 0.05 -0.91 -0.02 0.00 -1.01 0.00 0.00 66.70 64.80 2ksq h VAL 106 Cb 0.92 1.07 -0.02 0.00 -2.01 0.00 0.00 31.29 31.25 2ksq h VAL 106 CO 0.08 0.30 0.17 0.24 -1.01 0.00 0.00 177.57 177.36 2ksq h MET 107 N 0.47 0.64 -1.00 4.17 2.86 -1.33 -2.68 114.93 118.07 2ksq h MET 107 Ca 0.09 -0.12 0.14 0.00 -2.06 0.00 0.00 59.70 57.76 2ksq h MET 107 Cb 0.42 -0.10 -0.09 0.00 0.06 0.00 0.00 31.60 31.89 2ksq h MET 107 CO 0.02 0.59 0.62 0.37 1.06 0.00 0.00 176.91 179.58 2ksq h GLN 108 N 0.55 0.87 -0.69 1.72 5.75 -1.23 0.47 115.11 122.54 2ksq h GLN 108 Ca 0.14 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.53 2ksq h GLN 108 Cb 0.19 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 2ksq h GLN 108 CO -0.01 0.58 0.21 -0.09 -2.65 0.00 0.00 178.83 176.86 2ksq h ARG 109 N 0.90 1.09 -0.16 1.69 9.65 -1.32 0.84 114.38 127.06 2ksq h ARG 109 Ca 0.52 -0.24 -0.06 0.00 -1.10 0.00 0.00 59.98 59.10 2ksq h ARG 109 Cb 0.64 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.07 2ksq h ARG 109 CO -0.30 0.94 -0.12 1.98 2.80 0.00 0.00 179.97 185.28 2ksq h MET 110 N 1.02 0.37 0.00 0.20 4.05 -0.76 -2.83 114.93 116.98 2ksq h MET 110 Ca 0.22 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2ksq h MET 110 Cb 0.32 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 2ksq h MET 110 CO -0.00 0.71 0.00 1.25 0.23 0.00 0.00 176.91 179.10 2ksq h LEU 111 N 0.02 0.00 -0.28 3.39 6.46 0.02 -2.93 115.31 121.99 2ksq h LEU 111 Ca 0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2ksq h LEU 111 Cb 0.63 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 2ksq h LEU 111 CO 0.03 0.00 -0.28 -3.20 -0.62 0.00 0.00 178.44 174.37 2ksq n ASN 112 N -2.96 0.71 -4.75 1.25 4.05 0.29 -4.76 115.26 109.10 2ksq n ASN 112 Ca 0.02 -0.58 -0.40 0.00 0.45 0.00 0.00 54.58 54.07 2ksq n ASN 112 Cb 0.38 0.09 -0.05 0.00 1.23 0.00 0.00 39.78 41.43 2ksq n ASN 112 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2ksq s GLU 113 N -2.66 4.62 0.38 1.20 0.41 -1.08 -4.95 118.70 116.63 2ksq s GLU 113 Ca 0.21 1.26 0.10 0.00 -0.41 0.00 0.00 54.97 56.13 2ksq s GLU 113 Cb 0.19 -3.34 0.76 0.00 -1.78 0.00 0.00 34.13 29.96 2ksq s GLU 113 CO 0.56 0.34 1.89 -0.44 -0.49 0.00 0.00 175.26 177.12 2ksq h ASP 114 N 5.22 0.18 0.71 -0.19 5.19 -1.90 -1.46 116.42 124.17 2ksq h ASP 114 Ca -0.44 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 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 0.70 0.39 0.00 -0.62 -3.12 0.00 0.00 179.24 176.59 2ksq n GLU 115 N -4.23 0.18 -0.31 3.56 4.71 -1.26 -2.80 120.64 120.48 2ksq n GLU 115 Ca -0.01 0.41 0.07 0.00 -0.01 0.00 0.00 57.16 57.61 2ksq n GLU 115 Cb 0.30 -1.84 0.10 0.00 -1.01 0.00 0.00 31.44 29.00 2ksq n GLU 115 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2ksq n LEU 116 N -2.18 1.70 0.00 -4.62 4.77 -0.62 -4.73 117.00 111.32 2ksq n LEU 116 Ca 0.02 -2.57 0.11 0.00 -0.03 0.00 0.00 56.01 53.54 2ksq n LEU 116 Cb 0.22 -0.31 0.58 0.00 -2.33 0.00 0.00 43.42 41.59 2ksq n LEU 116 CO 0.19 0.65 0.86 0.00 -1.33 0.00 0.00 177.39 177.76 2ksq n ASN 118 N -1.24 1.47 -4.88 0.00 4.05 -1.26 -5.01 115.26 108.39 2ksq n ASN 118 Ca 0.12 -1.24 -0.33 0.00 0.45 0.00 0.00 54.58 53.58 2ksq n ASN 118 Cb 0.16 0.12 -0.05 0.00 1.23 0.00 0.00 39.78 41.24 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ksq s ALA 119 N -0.74 3.74 0.82 5.20 0.00 -1.11 -4.92 121.76 124.76 2ksq s ALA 119 Ca 0.08 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 2ksq s ALA 119 Cb 0.06 -2.22 0.10 0.00 0.00 0.00 0.00 23.12 21.06 2ksq s ALA 119 CO 0.11 0.60 1.18 0.00 0.00 0.00 0.00 175.76 177.65 2ksq s ALA 120 N -1.52 2.68 -0.33 0.00 0.00 -1.13 -4.85 121.76 116.61 2ksq s ALA 120 Ca 0.37 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 2ksq s ALA 120 Cb -0.13 -2.84 0.13 0.00 0.00 0.00 0.00 23.12 20.28 2ksq s ALA 120 CO 0.21 -1.76 0.20 -1.58 0.00 0.00 0.00 175.76 172.83 2ksq s TRP 121 N -3.57 0.48 -0.37 0.00 0.51 -1.08 -1.39 118.94 113.51 2ksq s TRP 121 Ca 0.64 -1.30 -0.19 0.00 -2.12 0.00 0.00 56.10 53.13 2ksq s TRP 121 Cb -0.09 -0.85 0.00 0.00 -0.81 0.00 0.00 33.47 31.72 2ksq s TRP 121 CO 0.49 -0.84 0.53 -1.17 -0.51 0.00 0.00 176.95 175.45 2ksq s LEU 122 N 1.43 4.42 -0.11 2.99 2.96 0.11 -2.96 118.68 127.52 2ksq s LEU 122 Ca 0.15 -0.14 -0.11 0.00 -0.22 0.00 0.00 54.13 53.81 2ksq s LEU 122 Cb -0.20 -2.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.84 2ksq s LEU 122 CO -0.11 -0.55 0.25 -0.69 -1.32 0.00 0.00 176.35 173.93 2ksq s VAL 123 N 2.45 5.33 -0.16 1.68 1.01 0.33 0.11 120.40 131.15 2ksq s VAL 123 Ca 0.19 0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 2ksq s VAL 123 Cb -0.15 -3.55 0.05 0.00 0.00 0.00 0.00 36.38 32.73 2ksq s VAL 123 CO 0.14 0.52 0.05 0.72 0.00 0.00 0.00 175.10 176.53 2ksq s PHE 124 N -0.43 0.67 -0.33 5.22 -0.71 -1.01 -0.28 117.98 121.11 2ksq s PHE 124 Ca 0.17 -0.52 -0.27 0.00 -1.04 0.00 0.00 56.93 55.27 2ksq s PHE 124 Cb -0.13 -0.86 -0.06 0.00 -1.21 0.00 0.00 43.02 40.76 2ksq s PHE 124 CO 0.05 -0.51 2.29 0.00 -1.34 0.00 0.00 175.22 175.72 2ksq s ALA 125 N 1.98 2.27 0.78 1.99 0.00 0.30 -3.06 121.76 126.01 2ksq s ALA 125 Ca 0.01 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 2ksq s ALA 125 Cb -0.16 -4.19 0.06 0.00 0.00 0.00 0.00 23.12 18.83 2ksq s ALA 125 CO -0.08 -3.49 1.15 1.21 0.00 0.00 0.00 175.76 174.56 2ksq s ASN 126 N 9.90 4.79 -1.94 0.00 3.04 0.73 -2.78 114.94 128.67 2ksq s ASN 126 Ca 0.99 0.90 0.00 0.00 0.04 0.00 0.00 52.86 54.79 2ksq s ASN 126 Cb -0.26 -1.49 0.00 0.00 -1.54 0.00 0.00 41.25 37.95 2ksq s ASN 126 CO 0.31 -1.74 0.00 0.29 -3.04 0.00 0.00 177.10 172.92 2ksq n LYS 127 N -3.23 -1.30 0.19 0.43 5.02 -1.26 -1.64 118.16 116.37 2ksq n LYS 127 Ca 0.08 1.13 0.18 0.00 -2.02 0.00 0.00 58.31 57.68 2ksq n LYS 127 Cb 0.60 -5.44 0.79 0.00 -0.02 0.00 0.00 35.03 30.97 2ksq n LYS 127 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2ksq h GLN 128 N 0.00 0.00 -0.03 1.97 5.75 -1.64 0.31 115.11 121.47 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 1.22 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.77 2ksq h GLN 128 CO 0.55 0.00 0.00 -0.40 -2.65 0.00 0.00 178.83 176.33 2ksq n ASP 129 N -3.49 0.40 -4.42 -0.69 5.75 -1.26 -4.42 116.55 108.41 2ksq n ASP 129 Ca 0.03 -1.38 -0.29 0.00 -0.01 0.00 0.00 54.79 53.15 2ksq n ASP 129 Cb 0.48 -0.02 0.21 0.00 -1.03 0.00 0.00 41.12 40.76 2ksq n ASP 129 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2ksq s LEU 130 N -1.71 1.11 -0.32 -2.12 1.02 0.11 -4.85 118.68 111.92 2ksq s LEU 130 Ca 0.34 1.08 -0.37 0.00 0.02 0.00 0.00 54.13 55.21 2ksq s LEU 130 Cb 0.16 -3.08 -0.13 0.00 0.02 0.00 0.00 46.19 43.17 2ksq s LEU 130 CO 0.27 -3.66 2.05 -2.65 0.02 0.00 0.00 176.35 172.38 2ksq n PRO 131 N -4.51 1.13 -4.36 1.29 -0.02 -1.26 -1.79 135.00 125.48 2ksq n PRO 131 Ca 0.07 0.35 -0.37 0.00 -2.02 0.00 0.00 63.50 61.52 2ksq n PRO 131 Cb 0.57 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.66 2ksq n PRO 131 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2ksq n GLU 132 N 7.34 -1.65 -0.88 -0.52 0.28 -1.26 -4.82 120.64 119.14 2ksq n GLU 132 Ca 0.37 0.22 -0.31 0.00 -0.16 0.00 0.00 57.16 57.28 2ksq n GLU 132 Cb 0.19 -4.58 0.03 0.00 1.43 0.00 0.00 31.44 28.51 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ksq n ALA 133 N -4.28 -4.66 -1.77 -1.84 0.00 -0.74 -4.95 120.51 102.26 2ksq n ALA 133 Ca -0.02 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.64 2ksq n ALA 133 Cb 0.53 -1.00 0.12 0.00 0.00 0.00 0.00 19.45 19.11 2ksq n ALA 133 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2ksq s MET 134 N -1.54 1.39 0.54 0.00 1.00 -1.26 -5.07 119.30 114.36 2ksq s MET 134 Ca 0.36 0.07 0.09 0.00 0.00 0.00 0.00 55.69 56.20 2ksq s MET 134 Cb -0.20 -1.89 0.07 0.00 0.00 0.00 0.00 34.83 32.81 2ksq s MET 134 CO 0.67 -1.99 0.74 -1.12 0.00 0.00 0.00 175.02 173.33 2ksq s SER 135 N -4.45 5.22 0.25 3.03 0.01 -1.26 -5.02 113.70 111.48 2ksq s SER 135 Ca 0.65 -0.69 -0.00 0.00 1.31 0.00 0.00 55.95 57.22 2ksq s SER 135 Cb -0.11 -0.01 0.31 0.00 0.21 0.00 0.00 66.02 66.43 2ksq s SER 135 CO 0.51 -1.20 1.67 0.00 0.41 0.00 0.00 173.24 174.63 2ksq h ALA 136 N 0.27 1.00 -0.61 1.44 0.00 -2.00 -3.03 119.26 116.33 2ksq h ALA 136 Ca -0.33 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 2ksq h ALA 136 Cb 1.29 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2ksq h ALA 136 CO 0.42 0.59 0.36 0.00 0.00 0.00 0.00 179.25 180.62 2ksq h ALA 137 N 1.21 1.48 0.00 0.00 0.00 -1.99 -1.68 119.26 118.27 2ksq h ALA 137 Ca 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ksq h ALA 137 Cb 0.72 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ksq h ALA 137 CO 0.06 0.45 -0.02 0.93 0.00 0.00 0.00 179.25 180.67 2ksq h GLU 138 N 0.84 0.01 -0.68 0.00 4.39 -1.94 -2.78 114.58 114.43 2ksq h GLU 138 Ca 0.22 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.94 2ksq h GLU 138 Cb -0.01 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 2ksq h GLU 138 CO -0.04 0.82 0.45 0.82 -1.16 0.00 0.00 179.01 179.90 2ksq h ILE 139 N -0.79 1.10 -0.08 3.13 2.04 -1.50 -2.51 117.51 118.90 2ksq h ILE 139 Ca -0.00 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2ksq h ILE 139 Cb 0.82 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2ksq h ILE 139 CO 0.00 0.15 -0.05 0.71 0.00 0.00 0.00 178.15 178.97 2ksq h THR 140 N 0.82 1.33 0.47 -0.27 1.35 -1.39 -2.85 112.91 112.37 2ksq h THR 140 Ca 0.27 -1.09 -0.02 0.00 -0.55 0.00 0.00 66.41 65.03 2ksq h THR 140 Cb 0.06 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 2ksq h THR 140 CO -0.08 0.30 -0.30 -0.08 -0.25 0.00 0.00 175.52 175.12 2ksq h GLU 141 N -0.21 -0.71 -0.68 4.72 4.22 -1.21 -2.10 114.58 118.61 2ksq h GLU 141 Ca 0.02 0.05 0.12 0.00 0.08 0.00 0.00 59.36 59.62 2ksq h GLU 141 Cb 0.51 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 2ksq h GLU 141 CO 0.01 -0.47 0.46 -0.22 -2.18 0.00 0.00 179.01 176.61 2ksq h LYS 142 N -0.73 0.45 0.00 1.92 3.11 -1.56 0.16 116.57 119.91 2ksq h LYS 142 Ca -0.05 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 2ksq h LYS 142 Cb 0.60 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 2ksq h LYS 142 CO 0.05 0.30 0.00 1.28 -2.81 0.00 0.00 179.45 178.26 2ksq n LEU 143 N -4.48 0.00 -2.60 5.20 7.99 -1.04 -4.87 117.00 117.20 2ksq n LEU 143 Ca 0.12 0.00 -0.21 0.00 -0.01 0.00 0.00 56.01 55.91 2ksq n LEU 143 Cb 0.42 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.74 2ksq n LEU 143 CO 0.33 0.00 -0.17 0.61 -1.51 0.00 0.00 177.39 176.65 2ksq n GLY 144 N 0.76 -0.50 0.33 -0.72 0.00 0.54 -4.88 105.19 100.72 2ksq n GLY 144 Ca 0.19 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.49 1.08 -2.29 0.99 4.07 -1.57 -2.65 115.31 114.45 2ksq h LEU 145 Ca -0.51 -0.21 -0.00 0.00 0.08 0.00 0.00 57.88 57.23 2ksq h LEU 145 Cb 1.37 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 42.82 2ksq h LEU 145 CO 0.58 1.01 -0.02 1.12 -1.08 0.00 0.00 178.44 180.06 2ksq h HIS 146 N 1.09 0.00 -0.13 1.13 2.07 -1.89 -0.63 115.15 116.79 2ksq h HIS 146 Ca 0.23 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.75 2ksq h HIS 146 Cb 0.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.32 2ksq h HIS 146 CO 0.03 0.02 0.00 -1.13 -3.07 0.00 0.00 177.93 173.77 2ksq n SER 147 N -4.03 2.03 -4.34 3.10 3.41 -1.01 -4.79 113.62 107.99 2ksq n SER 147 Ca -0.03 -1.72 -0.41 0.00 -0.26 0.00 0.00 58.87 56.46 2ksq n SER 147 Cb 0.10 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 63.86 2ksq n SER 147 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ksq s ILE 148 N -1.84 4.48 -0.05 -1.33 1.01 -0.24 -4.88 121.20 118.34 2ksq s ILE 148 Ca 0.34 -1.04 0.23 0.00 0.00 0.00 0.00 60.65 60.19 2ksq s ILE 148 Cb 0.20 -3.58 0.43 0.00 0.01 0.00 0.00 42.46 39.52 2ksq s ILE 148 CO 0.30 -0.33 1.18 0.54 0.00 0.00 0.00 174.94 176.63 2ksq n ARG 149 N 4.98 0.38 0.00 2.79 5.12 -1.26 -4.79 116.66 123.89 2ksq n ARG 149 Ca -0.11 -2.31 0.00 0.00 -1.93 0.00 0.00 57.85 53.49 2ksq n ARG 149 Cb 0.45 -0.37 0.00 0.00 -1.16 0.00 0.00 32.46 31.38 2ksq n ARG 149 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2ksq n ASN 150 N 0.16 0.52 -3.84 0.55 3.02 -1.26 -5.05 115.26 109.37 2ksq n ASN 150 Ca 0.09 -0.79 -0.12 0.00 -0.03 0.00 0.00 54.58 53.72 2ksq n ASN 150 Cb 1.05 0.27 -0.14 0.00 -0.61 0.00 0.00 39.78 40.35 2ksq n ASN 150 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2ksq s ARG 151 N -0.27 0.06 -0.71 3.52 1.81 -1.26 -5.09 118.95 117.01 2ksq s ARG 151 Ca 0.00 0.10 -0.26 0.00 -1.72 0.00 0.00 55.73 53.85 2ksq s ARG 151 Cb 0.00 -0.00 -0.05 0.00 -0.45 0.00 0.00 34.95 34.44 2ksq s ARG 151 CO 0.00 -0.03 2.05 -1.25 -0.68 0.00 0.00 175.30 175.39 2ksq s PRO 152 N 0.18 2.38 0.05 3.54 0.04 -1.26 -4.94 135.00 134.98 2ksq s PRO 152 Ca -0.01 0.44 0.07 0.00 0.04 0.00 0.00 61.00 61.54 2ksq s PRO 152 Cb -0.02 -4.69 -0.02 0.00 0.04 0.00 0.00 34.50 29.81 2ksq s PRO 152 CO -0.01 -3.26 -0.18 1.67 0.04 0.00 0.00 177.00 175.26 2ksq s TRP 153 N 10.69 1.60 -0.00 0.56 1.48 -1.26 -2.65 118.94 129.37 2ksq s TRP 153 Ca 0.77 -0.37 -0.01 0.00 -1.06 0.00 0.00 56.10 55.43 2ksq s TRP 153 Cb -0.11 -0.94 -0.00 0.00 -1.16 0.00 0.00 33.47 31.25 2ksq s TRP 153 CO 0.13 0.08 0.01 -0.06 -4.06 0.00 0.00 176.95 173.05 2ksq s PHE 154 N -0.86 0.04 -0.13 1.66 0.40 -1.15 -4.98 117.98 112.95 2ksq s PHE 154 Ca 0.05 -0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.30 2ksq s PHE 154 Cb -0.09 -0.03 -0.02 0.00 0.51 0.00 0.00 43.02 43.39 2ksq s PHE 154 CO 0.02 -0.05 -0.11 -1.50 0.70 0.00 0.00 175.22 174.28 2ksq s ILE 155 N -0.31 3.26 -0.05 0.64 2.07 -1.23 0.12 121.20 125.70 2ksq s ILE 155 Ca -0.03 -0.59 0.01 0.00 -1.41 0.00 0.00 60.65 58.62 2ksq s ILE 155 Cb -0.02 -2.38 0.02 0.00 0.13 0.00 0.00 42.46 40.21 2ksq s ILE 155 CO -0.00 0.52 -0.05 -1.10 -1.91 0.00 0.00 174.94 172.40 2ksq s GLN 156 N 0.29 0.96 -0.37 3.50 -1.52 0.62 -4.95 119.66 118.20 2ksq s GLN 156 Ca -0.08 -0.13 -0.21 0.00 -1.95 0.00 0.00 55.36 52.98 2ksq s GLN 156 Cb -0.15 -0.97 0.01 0.00 -0.22 0.00 0.00 33.01 31.67 2ksq s GLN 156 CO 0.05 -0.10 0.68 0.00 -0.25 0.00 0.00 175.29 175.67 2ksq s ALA 157 N 1.04 3.44 0.26 6.09 0.00 -1.26 0.11 121.76 131.43 2ksq s ALA 157 Ca -0.09 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.07 2ksq s ALA 157 Cb -0.14 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 2ksq s ALA 157 CO -0.00 -1.43 0.04 -0.08 0.00 0.00 0.00 175.76 174.28 2ksq s THR 158 N 2.84 0.92 -0.31 0.00 -1.32 -1.12 -4.86 115.64 111.80 2ksq s THR 158 Ca 0.26 -2.01 0.02 0.00 -1.21 0.00 0.00 61.69 58.75 2ksq s THR 158 Cb -0.14 -2.51 0.09 0.00 -1.51 0.00 0.00 72.50 68.43 2ksq s THR 158 CO 0.16 -0.17 0.03 0.00 -2.21 0.00 0.00 174.62 172.43 2ksq h ALA 160 N 7.82 0.82 -0.99 0.00 0.00 -1.93 0.83 119.26 125.82 2ksq h ALA 160 Ca -0.10 -0.39 0.26 0.00 0.00 0.00 0.00 54.91 54.68 2ksq h ALA 160 Cb 1.03 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2ksq h ALA 160 CO 0.48 0.64 0.68 0.00 0.00 0.00 0.00 179.25 181.05 2ksq h THR 161 N 0.67 0.55 0.00 0.00 1.03 -1.97 -2.82 112.91 110.37 2ksq h THR 161 Ca 0.08 -0.07 -0.28 0.00 -0.01 0.00 0.00 66.41 66.13 2ksq h THR 161 Cb 0.79 0.32 -0.05 0.00 -1.07 0.00 0.00 68.15 68.14 2ksq h THR 161 CO 0.07 0.04 -2.04 -1.20 -0.01 0.00 0.00 175.52 172.38 2ksq n SER 162 N -4.42 2.34 0.00 0.00 7.64 -1.11 -4.73 113.62 113.34 2ksq n SER 162 Ca 0.22 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2ksq n SER 162 Cb 0.92 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 2.46 0.97 3.77 0.23 0.00 0.28 -4.91 105.19 107.99 2ksq n GLY 163 Ca -0.33 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 2ksq n GLY 163 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ksq s GLU 164 N -0.51 4.44 0.00 1.61 2.12 -1.03 -2.92 118.70 122.42 2ksq s GLU 164 Ca 0.00 2.07 0.00 0.00 0.36 0.00 0.00 54.97 57.40 2ksq s GLU 164 Cb 0.00 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.29 2ksq s GLU 164 CO 0.00 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 2ksq n GLY 165 N 0.92 2.89 0.21 -1.50 0.00 -1.26 -2.55 105.19 103.91 2ksq n GLY 165 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.66 -0.47 0.99 4.07 -1.89 -2.87 115.31 115.79 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 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 2ksq h LEU 166 CO 0.00 0.76 0.29 0.10 -1.08 0.00 0.00 178.44 178.50 2ksq h TYR 167 N 0.53 0.62 -0.85 1.13 -0.00 -1.90 -2.56 116.97 113.94 2ksq h TYR 167 Ca 0.12 -0.00 0.08 0.00 -0.00 0.00 0.00 58.73 58.93 2ksq h TYR 167 Cb 0.39 -0.21 -0.06 0.00 -0.00 0.00 0.00 36.73 36.85 2ksq h TYR 167 CO 0.03 0.43 0.56 0.93 -0.00 0.00 0.00 178.16 180.11 2ksq h GLU 168 N 0.63 0.88 -0.63 0.10 5.08 -1.94 -2.28 114.58 116.43 2ksq h GLU 168 Ca 0.17 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2ksq h GLU 168 Cb -0.01 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 2ksq h GLU 168 CO -0.03 0.58 0.33 0.78 -1.00 0.00 0.00 179.01 179.66 2ksq h GLY 169 N 0.90 0.96 2.00 -3.84 0.00 -1.24 -1.94 103.07 99.92 2ksq h GLY 169 Ca 0.38 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 2ksq h GLY 169 CO -0.15 0.43 -0.28 -2.00 0.00 0.00 0.00 176.54 174.55 2ksq h LEU 170 N 0.86 0.00 -0.02 3.11 5.85 -1.31 -2.91 115.31 120.89 2ksq h LEU 170 Ca 0.22 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.68 2ksq h LEU 170 Cb 0.08 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.13 2ksq h LEU 170 CO -0.03 0.28 -1.02 -0.08 -0.34 0.00 0.00 178.44 177.25 2ksq h GLU 171 N 0.00 0.70 -0.34 1.25 4.81 -1.08 -2.98 114.58 116.95 2ksq h GLU 171 Ca -0.00 -0.74 -0.02 0.00 -0.13 0.00 0.00 59.36 58.47 2ksq h GLU 171 Cb 0.58 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 2ksq h GLU 171 CO 0.04 1.32 0.13 -1.49 -0.73 0.00 0.00 179.01 178.27 2ksq h TRP 172 N 0.41 0.52 0.38 0.92 -0.00 -1.23 -2.73 115.95 114.21 2ksq h TRP 172 Ca -0.12 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.89 58.71 2ksq h TRP 172 Cb 1.67 -0.15 0.00 0.00 -0.00 0.00 0.00 29.16 30.67 2ksq h TRP 172 CO 0.10 0.49 -0.19 1.25 -0.00 0.00 0.00 178.44 180.09 2ksq h LEU 173 N 0.40 -0.45 -1.83 -4.49 5.85 -1.61 -2.55 115.31 110.64 2ksq h LEU 173 Ca 0.11 0.02 0.23 0.00 0.84 0.00 0.00 57.88 59.08 2ksq h LEU 173 Cb 0.19 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2ksq h LEU 173 CO -0.01 -0.32 0.60 0.77 -0.34 0.00 0.00 178.44 179.14 2ksq h SER 174 N -0.52 0.14 0.49 1.25 4.64 -1.49 0.99 113.55 119.05 2ksq h SER 174 Ca -0.05 0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.12 2ksq h SER 174 Cb 0.40 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2ksq h SER 174 CO 0.08 0.05 -0.71 -1.13 -0.87 0.00 0.00 176.83 174.26 2ksq h ASN 175 N 0.14 0.22 0.48 4.97 -0.73 -1.14 -2.55 115.58 116.98 2ksq h ASN 175 Ca 0.42 -0.15 -0.08 0.00 1.87 0.00 0.00 56.30 58.37 2ksq h ASN 175 Cb 1.46 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.97 2ksq h ASN 175 CO -0.07 0.85 -0.38 0.00 -0.37 0.00 0.00 177.43 177.47 2ksq n LEU 177 N -3.91 1.67 -0.27 0.00 4.77 -1.15 -4.43 117.00 113.68 2ksq n LEU 177 Ca -0.01 0.53 0.01 0.00 -0.03 0.00 0.00 56.01 56.51 2ksq n LEU 177 Cb 0.43 -0.81 0.22 0.00 -2.33 0.00 0.00 43.42 40.94 2ksq n LEU 177 CO 0.38 -0.43 1.25 0.50 -1.33 0.00 0.00 177.39 177.76 2ksq h LYS 178 N -0.91 1.05 -6.95 3.23 3.64 -1.60 -3.46 116.57 111.56 2ksq h LYS 178 Ca 0.00 -0.06 -0.43 0.00 -1.27 0.00 0.00 60.65 58.88 2ksq h LYS 178 Cb 0.57 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2ksq h LYS 178 CO 0.00 0.69 -0.76 0.27 -2.27 0.00 0.00 179.45 177.38 2ksq n ASN 179 N -4.43 -3.10 -1.45 4.20 0.23 -0.19 -4.43 115.26 106.09 2ksq n ASN 179 Ca 0.10 -0.92 0.03 0.00 -0.53 0.00 0.00 54.58 53.26 2ksq n ASN 179 Cb 0.07 -1.16 -0.02 0.00 -2.08 0.00 0.00 39.78 36.59 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 -1.41 -7.82 -0.01 0.53 7.64 -1.26 -5.10 113.62 106.19 2ksq n SER 180 Ca -0.11 1.69 0.16 0.00 1.01 0.00 0.00 58.87 61.62 2ksq n SER 180 Cb 0.43 -4.69 0.94 0.00 -1.01 0.00 0.00 64.21 59.88 2ksq n SER 180 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38