#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 -0.19 -0.92 0.99 4.07 -2.06 -2.79 115.31 114.41 2ksq h LEU 3 Ca 0.00 0.03 0.21 0.00 0.08 0.00 0.00 57.88 58.20 2ksq h LEU 3 Cb 0.00 0.08 -0.12 0.00 1.08 0.00 0.00 40.66 41.70 2ksq h LEU 3 CO 0.00 -0.10 0.47 -0.26 -1.08 0.00 0.00 178.44 177.47 2ksq h PHE 4 N -0.13 0.80 0.06 1.13 0.04 -2.04 -2.34 116.94 114.46 2ksq h PHE 4 Ca 0.02 0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.85 2ksq h PHE 4 Cb 0.15 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.04 2ksq h PHE 4 CO -0.13 0.05 -0.45 0.00 -0.60 0.00 0.00 178.31 177.19 2ksq h ALA 5 N 1.68 -0.78 -0.12 2.45 0.00 -1.91 0.66 119.26 121.24 2ksq h ALA 5 Ca 0.56 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 2ksq h ALA 5 Cb 1.00 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2ksq h ALA 5 CO -0.47 -1.01 -0.08 0.77 0.00 0.00 0.00 179.25 178.46 2ksq h SER 6 N -0.64 0.16 0.05 0.00 0.02 -1.50 0.34 113.55 111.98 2ksq h SER 6 Ca 0.03 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ksq h SER 6 Cb 0.69 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2ksq h SER 6 CO -0.29 0.27 -0.02 0.11 -1.14 0.00 0.00 176.83 175.75 2ksq h LYS 7 N 0.17 -0.06 -0.00 3.45 1.79 -0.87 -2.32 116.57 118.72 2ksq h LYS 7 Ca 0.04 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.41 2ksq h LYS 7 Cb 0.25 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 2ksq h LYS 7 CO 0.01 0.57 -0.50 -0.07 -1.08 0.00 0.00 179.45 178.38 2ksq h LEU 8 N -0.87 0.01 -0.19 2.94 4.07 0.37 -3.10 115.31 118.55 2ksq h LEU 8 Ca -0.01 -0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.73 2ksq h LEU 8 Cb 0.66 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 2ksq h LEU 8 CO 0.01 0.51 -0.95 0.15 -1.08 0.00 0.00 178.44 177.08 2ksq h PHE 9 N 0.01 0.38 -0.88 1.13 3.57 -0.42 -3.32 116.94 117.41 2ksq h PHE 9 Ca -0.00 -0.22 0.17 0.00 3.53 0.00 0.00 57.97 61.45 2ksq h PHE 9 Cb 0.89 -0.04 -0.11 0.00 2.79 0.00 0.00 35.95 39.49 2ksq h PHE 9 CO 0.00 1.06 0.44 1.03 -2.23 0.00 0.00 178.31 178.61 2ksq h SER 10 N 0.13 0.49 -0.66 0.41 0.87 -1.33 0.10 113.55 113.56 2ksq h SER 10 Ca -0.06 0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2ksq h SER 10 Cb 1.60 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.57 2ksq h SER 10 CO 0.15 0.15 0.44 0.78 -0.53 0.00 0.00 176.83 177.82 2ksq h ASN 11 N 0.56 0.76 0.78 6.23 2.35 -1.70 -1.07 115.58 123.50 2ksq h ASN 11 Ca 0.50 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 2ksq h ASN 11 Cb 0.81 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.99 2ksq h ASN 11 CO -0.42 0.55 0.00 -0.11 -1.65 0.00 0.00 177.43 175.80 2ksq n LEU 12 N -4.43 0.43 0.23 1.61 -0.00 0.00 -1.88 117.00 112.96 2ksq n LEU 12 Ca 0.07 0.59 0.15 0.00 -0.00 0.00 0.00 56.01 56.82 2ksq n LEU 12 Cb 0.04 -0.51 0.49 0.00 -0.00 0.00 0.00 43.42 43.43 2ksq n LEU 12 CO 0.36 -0.37 0.92 -0.26 -0.00 0.00 0.00 177.39 178.04 2ksq h PHE 13 N 0.00 0.00 0.00 1.96 -1.00 -0.97 -3.45 116.94 113.49 2ksq h PHE 13 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2ksq h PHE 13 Cb 0.39 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.95 2ksq h PHE 13 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 2ksq n GLY 14 N 0.45 -0.15 3.56 -1.45 0.00 -1.11 -5.08 105.19 101.41 2ksq n GLY 14 Ca 0.02 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2ksq n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ksq s ASN 15 N 0.00 5.59 -0.41 1.61 3.04 -0.79 -4.80 114.94 119.17 2ksq s ASN 15 Ca 0.00 -0.45 0.08 0.00 0.04 0.00 0.00 52.86 52.53 2ksq s ASN 15 Cb 0.00 -2.55 0.43 0.00 -1.54 0.00 0.00 41.25 37.59 2ksq s ASN 15 CO 0.00 -2.26 1.08 2.29 -3.04 0.00 0.00 177.10 175.17 2ksq n LYS 16 N 9.05 2.96 -3.69 0.43 -0.00 -1.26 -5.01 118.16 120.65 2ksq n LYS 16 Ca 0.26 -4.25 -0.18 0.00 -0.00 0.00 0.00 58.31 54.14 2ksq n LYS 16 Cb 0.50 -2.04 -0.17 0.00 -0.00 0.00 0.00 35.03 33.31 2ksq n LYS 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2ksq s GLU 17 N -3.46 -0.05 0.01 -1.58 8.01 -1.26 -1.24 118.70 119.13 2ksq s GLU 17 Ca 0.44 0.38 0.04 0.00 0.01 0.00 0.00 54.97 55.84 2ksq s GLU 17 Cb 0.41 -0.41 -0.03 0.00 -4.31 0.00 0.00 34.13 29.78 2ksq s GLU 17 CO -0.14 -0.29 -0.09 -1.64 0.01 0.00 0.00 175.26 173.10 2ksq s MET 18 N 1.98 2.45 -0.18 1.61 -1.94 -0.97 -4.89 119.30 117.37 2ksq s MET 18 Ca 0.02 -0.77 -0.11 0.00 -1.71 0.00 0.00 55.69 53.11 2ksq s MET 18 Cb -0.12 -2.43 -0.05 0.00 2.01 0.00 0.00 34.83 34.24 2ksq s MET 18 CO -0.04 0.59 0.20 1.03 -0.01 0.00 0.00 175.02 176.79 2ksq s ARG 19 N -1.37 4.19 0.06 2.03 3.00 -1.26 -2.45 118.95 123.15 2ksq s ARG 19 Ca 0.16 -0.09 0.06 0.00 0.00 0.00 0.00 55.73 55.87 2ksq s ARG 19 Cb -0.11 -3.41 -0.03 0.00 0.00 0.00 0.00 34.95 31.40 2ksq s ARG 19 CO 0.07 0.29 -0.17 0.42 0.00 0.00 0.00 175.30 175.91 2ksq s ILE 20 N 0.35 1.38 0.01 1.52 -1.09 0.28 -1.24 121.20 122.41 2ksq s ILE 20 Ca 0.12 -1.26 0.03 0.00 -2.23 0.00 0.00 60.65 57.30 2ksq s ILE 20 Cb -0.12 -1.26 -0.01 0.00 -1.58 0.00 0.00 42.46 39.49 2ksq s ILE 20 CO 0.01 -0.03 -0.09 -0.76 -1.23 0.00 0.00 174.94 172.83 2ksq s LEU 21 N -1.50 2.07 -0.19 2.97 1.02 -0.44 -2.02 118.68 120.59 2ksq s LEU 21 Ca 0.03 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 53.95 2ksq s LEU 21 Cb -0.09 -0.42 0.03 0.00 0.02 0.00 0.00 46.19 45.73 2ksq s LEU 21 CO 0.02 0.05 -0.17 -0.04 0.02 0.00 0.00 176.35 176.23 2ksq s MET 22 N -0.51 2.72 0.21 1.70 -1.94 0.16 0.10 119.30 121.75 2ksq s MET 22 Ca 0.01 -0.87 -0.06 0.00 -1.71 0.00 0.00 55.69 53.07 2ksq s MET 22 Cb -0.05 -2.54 -0.02 0.00 2.01 0.00 0.00 34.83 34.23 2ksq s MET 22 CO 0.00 -0.28 0.26 0.14 -0.01 0.00 0.00 175.02 175.13 2ksq s VAL 23 N 1.30 0.02 0.00 -6.03 -7.23 -1.07 -2.59 120.40 104.79 2ksq s VAL 23 Ca 0.03 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 2ksq s VAL 23 Cb -0.14 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.51 2ksq s VAL 23 CO -0.11 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 2ksq n GLY 24 N -0.29 0.06 3.93 2.32 0.00 -1.26 -2.80 105.19 107.15 2ksq n GLY 24 Ca -0.01 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 3.80 0.00 0.99 1.02 -1.26 -4.02 118.68 119.21 2ksq s LEU 25 Ca 0.00 0.61 0.17 0.00 0.02 0.00 0.00 54.13 54.93 2ksq s LEU 25 Cb 0.00 -3.50 0.97 0.00 0.02 0.00 0.00 46.19 43.68 2ksq s LEU 25 CO 0.00 -0.48 1.63 0.47 0.02 0.00 0.00 176.35 178.00 2ksq n ASP 26 N -2.02 0.18 0.00 2.29 9.92 -1.26 -3.48 116.55 122.18 2ksq n ASP 26 Ca -0.02 -1.50 0.00 0.00 -0.53 0.00 0.00 54.79 52.74 2ksq n ASP 26 Cb 0.56 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.03 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 0.80 -0.17 0.12 0.44 0.00 -1.26 -4.83 105.19 100.29 2ksq n GLY 27 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.21 0.00 4.61 0.00 -1.82 -3.47 119.26 118.36 2ksq h ALA 28 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ksq h ALA 28 Cb 0.35 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ksq h ALA 28 CO 0.00 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 179.15 2ksq n GLY 29 N -0.58 1.39 0.33 0.00 0.00 -1.26 -4.76 105.19 100.31 2ksq n GLY 29 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 2ksq n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ksq h LYS 30 N 0.00 0.89 -0.23 1.61 1.57 -1.93 -1.91 116.57 116.57 2ksq h LYS 30 Ca 0.00 -0.10 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 2ksq h LYS 30 Cb 0.00 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 2ksq h LYS 30 CO 0.00 0.66 -0.53 1.15 -0.57 0.00 0.00 179.45 180.16 2ksq h THR 31 N 0.89 1.30 -0.20 -0.16 2.02 -1.95 -1.93 112.91 112.89 2ksq h THR 31 Ca 0.23 -1.75 -0.01 0.00 0.77 0.00 0.00 66.41 65.65 2ksq h THR 31 Cb 0.04 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2ksq h THR 31 CO -0.04 0.56 0.09 0.74 0.37 0.00 0.00 175.52 177.24 2ksq h THR 32 N 0.52 1.15 0.08 3.16 2.02 -1.79 -2.71 112.91 115.34 2ksq h THR 32 Ca 0.01 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 2ksq h THR 32 Cb 1.10 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 2ksq h THR 32 CO 0.11 0.14 -0.04 0.58 0.37 0.00 0.00 175.52 176.68 2ksq h VAL 33 N 0.19 1.14 -1.01 3.16 2.07 -1.39 -2.63 116.25 117.77 2ksq h VAL 33 Ca 0.07 -0.83 0.24 0.00 0.82 0.00 0.00 66.70 67.00 2ksq h VAL 33 Cb 0.14 1.67 -0.10 0.00 -1.52 0.00 0.00 31.29 31.49 2ksq h VAL 33 CO -0.01 0.20 0.64 0.25 0.02 0.00 0.00 177.57 178.67 2ksq h LEU 34 N -0.49 0.55 -0.16 2.57 6.46 -1.37 0.15 115.31 123.02 2ksq h LEU 34 Ca -0.01 0.09 -0.22 0.00 -0.12 0.00 0.00 57.88 57.63 2ksq h LEU 34 Cb 0.42 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 2ksq h LEU 34 CO 0.02 0.13 -0.97 1.88 -0.62 0.00 0.00 178.44 178.88 2ksq h TYR 35 N 0.50 0.32 -0.18 1.25 0.05 -1.47 -2.33 116.97 115.12 2ksq h TYR 35 Ca 0.59 -0.20 -0.12 0.00 0.05 0.00 0.00 58.73 59.05 2ksq h TYR 35 Cb 1.30 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.01 2ksq h TYR 35 CO -0.00 1.05 -0.37 -0.22 -1.05 0.00 0.00 178.16 177.57 2ksq h LYS 36 N 0.10 0.57 0.00 4.88 1.63 -0.46 0.89 116.57 124.19 2ksq h LYS 36 Ca -0.06 -0.37 -0.10 0.00 -0.85 0.00 0.00 60.65 59.26 2ksq h LYS 36 Cb 1.63 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.30 2ksq h LYS 36 CO 0.15 0.99 -0.49 1.25 -3.45 0.00 0.00 179.45 177.90 2ksq h LEU 37 N 0.23 0.00 0.05 5.20 7.12 -0.93 0.89 115.31 127.88 2ksq h LEU 37 Ca 0.01 0.00 -0.33 0.00 0.13 0.00 0.00 57.88 57.68 2ksq h LEU 37 Cb 0.97 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 41.06 2ksq h LEU 37 CO 0.08 0.49 -1.92 1.17 -0.13 0.00 0.00 178.44 178.13 2ksq n LYS 38 N -3.76 0.69 -0.00 1.25 3.00 -0.88 -4.47 118.16 113.99 2ksq n LYS 38 Ca -0.01 0.25 0.07 0.00 -0.00 0.00 0.00 58.31 58.62 2ksq n LYS 38 Cb 0.54 -1.73 -0.09 0.00 0.00 0.00 0.00 35.03 33.75 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 -3.22 0.38 0.00 3.14 7.94 0.31 -4.99 117.00 120.55 2ksq n LEU 39 Ca -0.26 -0.29 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 0.43 0.09 0.00 0.61 -1.11 0.00 0.00 177.39 177.41 2ksq n GLY 40 N 1.48 0.87 2.95 -3.96 0.00 0.31 -4.98 105.19 101.84 2ksq n GLY 40 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.12 0.14 0.09 1.61 2.02 -1.24 -4.99 118.70 116.21 2ksq s GLU 41 Ca 0.00 -0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.57 2ksq s GLU 41 Cb 0.00 0.06 -0.05 0.00 0.10 0.00 0.00 34.13 34.23 2ksq s GLU 41 CO 0.00 -0.02 1.00 0.08 0.02 0.00 0.00 175.26 176.34 2ksq s VAL 42 N -0.42 4.45 0.38 2.63 1.01 -1.26 -4.09 120.40 123.11 2ksq s VAL 42 Ca -0.05 1.96 0.04 0.00 0.00 0.00 0.00 61.98 63.92 2ksq s VAL 42 Cb -0.03 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2ksq s VAL 42 CO -0.00 0.26 0.10 0.27 0.00 0.00 0.00 175.10 175.73 2ksq s ILE 43 N 0.27 0.81 -0.27 2.22 -5.25 -1.26 -5.09 121.20 112.63 2ksq s ILE 43 Ca 0.49 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 57.86 2ksq s ILE 43 Cb -0.24 -2.48 0.01 0.00 2.95 0.00 0.00 42.46 42.69 2ksq s ILE 43 CO 0.30 0.00 1.10 0.42 -1.79 0.00 0.00 174.94 174.97 2ksq s THR 44 N -3.24 4.51 0.41 8.37 -4.23 -1.26 -4.95 115.64 115.25 2ksq s THR 44 Ca 0.27 1.78 0.08 0.00 -1.18 0.00 0.00 61.69 62.64 2ksq s THR 44 Cb 0.05 -4.31 -0.00 0.00 1.34 0.00 0.00 72.50 69.57 2ksq s THR 44 CO 0.14 -0.34 0.50 0.28 -0.54 0.00 0.00 174.62 174.66 2ksq s THR 45 N 3.55 2.95 0.02 3.99 -1.32 -1.26 -5.12 115.64 118.45 2ksq s THR 45 Ca 0.47 -1.11 0.01 0.00 -1.21 0.00 0.00 61.69 59.85 2ksq s THR 45 Cb -0.15 -3.02 -0.02 0.00 -1.51 0.00 0.00 72.50 67.81 2ksq s THR 45 CO 0.13 -0.01 -0.05 -0.51 -2.21 0.00 0.00 174.62 171.97 2ksq s ILE 46 N -2.38 0.28 -0.03 5.08 2.07 -1.26 -5.11 121.20 119.86 2ksq s ILE 46 Ca 0.52 -0.78 -0.33 0.00 -1.41 0.00 0.00 60.65 58.64 2ksq s ILE 46 Cb -0.08 -0.36 -0.11 0.00 0.13 0.00 0.00 42.46 42.03 2ksq s ILE 46 CO 0.31 -0.33 1.86 -2.65 -1.91 0.00 0.00 174.94 172.23 2ksq n PRO 47 N 1.88 2.34 -2.78 3.50 -0.02 -1.26 -4.91 135.00 133.74 2ksq n PRO 47 Ca -0.21 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 2ksq n PRO 47 Cb 0.56 -2.72 -0.03 0.00 -0.02 0.00 0.00 33.50 31.29 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 3.71 4.67 -0.98 3.45 -1.32 -1.26 -4.95 115.64 118.97 2ksq s THR 48 Ca 0.90 1.55 -0.03 0.00 -1.21 0.00 0.00 61.69 62.89 2ksq s THR 48 Cb -0.63 -4.27 0.22 0.00 -1.51 0.00 0.00 72.50 66.30 2ksq s THR 48 CO 0.48 -0.31 2.21 0.00 -2.21 0.00 0.00 174.62 174.78 2ksq n ILE 49 N 5.61 4.87 0.00 5.08 0.13 -1.26 -3.86 119.36 129.93 2ksq n ILE 49 Ca 0.08 -4.61 0.00 0.00 -1.10 0.00 0.00 62.75 57.12 2ksq n ILE 49 Cb 0.47 -1.66 0.00 0.00 -0.84 0.00 0.00 39.64 37.62 2ksq n ILE 49 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2ksq n GLY 50 N 0.56 -0.52 3.12 4.50 0.00 -1.26 -5.02 105.19 106.57 2ksq n GLY 50 Ca 0.53 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.52 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 0.73 -0.19 1.61 -0.12 -1.26 -1.10 117.98 117.64 2ksq s PHE 51 Ca 0.00 -0.83 -0.04 0.00 -0.05 0.00 0.00 56.93 56.01 2ksq s PHE 51 Cb 0.00 -0.44 0.10 0.00 -0.63 0.00 0.00 43.02 42.04 2ksq s PHE 51 CO 0.00 -0.19 0.29 -0.80 -0.05 0.00 0.00 175.22 174.48 2ksq s ASN 52 N -2.60 0.63 0.37 1.98 -0.87 -0.68 -4.95 114.94 108.83 2ksq s ASN 52 Ca 0.04 0.23 -0.10 0.00 -1.57 0.00 0.00 52.86 51.47 2ksq s ASN 52 Cb 0.02 0.75 -0.06 0.00 -0.02 0.00 0.00 41.25 41.94 2ksq s ASN 52 CO -0.04 -0.29 0.72 -0.69 -2.57 0.00 0.00 177.10 174.23 2ksq s VAL 53 N 2.44 4.83 -0.08 1.60 1.01 -1.26 -0.02 120.40 128.91 2ksq s VAL 53 Ca 0.06 0.53 -0.03 0.00 0.00 0.00 0.00 61.98 62.55 2ksq s VAL 53 Cb -0.14 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.56 2ksq s VAL 53 CO -0.12 -0.45 0.15 -0.70 0.00 0.00 0.00 175.10 173.98 2ksq s GLU 54 N -3.70 0.03 -0.45 2.72 2.56 -0.55 -4.95 118.70 114.37 2ksq s GLU 54 Ca 0.50 0.52 -0.23 0.00 0.00 0.00 0.00 54.97 55.76 2ksq s GLU 54 Cb -0.10 -0.28 0.03 0.00 2.00 0.00 0.00 34.13 35.78 2ksq s GLU 54 CO 0.30 -0.29 0.76 0.00 -0.56 0.00 0.00 175.26 175.46 2ksq s VAL 56 N 3.19 1.83 -0.18 0.00 1.01 0.35 -5.01 120.40 121.60 2ksq s VAL 56 Ca 0.28 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 2ksq s VAL 56 Cb -0.13 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2ksq s VAL 56 CO 0.22 0.51 0.04 -1.58 0.00 0.00 0.00 175.10 174.29 2ksq s GLN 57 N -0.03 3.90 -0.14 2.72 2.00 -1.26 0.13 119.66 126.97 2ksq s GLN 57 Ca -0.05 -0.39 -0.06 0.00 -2.00 0.00 0.00 55.36 52.85 2ksq s GLN 57 Cb -0.13 -3.14 0.06 0.00 0.80 0.00 0.00 33.01 30.60 2ksq s GLN 57 CO 0.04 0.27 0.32 -0.47 -0.50 0.00 0.00 175.29 174.94 2ksq s TYR 58 N 0.37 -0.50 -1.44 1.67 6.14 0.13 -4.91 117.35 118.81 2ksq s TYR 58 Ca 0.01 1.08 -0.10 0.00 0.64 0.00 0.00 57.07 58.70 2ksq s TYR 58 Cb -0.13 0.12 0.05 0.00 0.42 0.00 0.00 41.96 42.42 2ksq s TYR 58 CO 0.01 -0.33 0.99 0.00 0.64 0.00 0.00 175.55 176.85 2ksq n ASN 60 N -2.93 0.00 -4.91 0.00 5.15 -1.26 -5.00 115.26 106.31 2ksq n ASN 60 Ca -0.04 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.70 2ksq n ASN 60 Cb 0.56 -0.38 -0.03 0.00 -0.53 0.00 0.00 39.78 39.40 2ksq n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2ksq s ILE 61 N -3.29 5.04 -0.66 -1.44 1.01 0.30 -4.85 121.20 117.31 2ksq s ILE 61 Ca 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.66 2ksq s ILE 61 Cb 0.00 -3.64 0.17 0.00 0.01 0.00 0.00 42.46 39.00 2ksq s ILE 61 CO 0.00 -0.18 0.52 -0.44 0.00 0.00 0.00 174.94 174.83 2ksq s SER 62 N -3.45 5.69 -0.25 3.58 0.01 -0.38 0.23 113.70 119.13 2ksq s SER 62 Ca 0.33 -2.71 -0.26 0.00 1.31 0.00 0.00 55.95 54.62 2ksq s SER 62 Cb -0.10 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2ksq s SER 62 CO 0.27 -0.46 0.91 -0.36 0.41 0.00 0.00 173.24 174.01 2ksq s PHE 63 N 0.15 3.30 -0.28 2.43 0.40 0.34 -2.28 117.98 122.04 2ksq s PHE 63 Ca 0.16 1.22 -0.07 0.00 -0.60 0.00 0.00 56.93 57.65 2ksq s PHE 63 Cb -0.18 -3.17 -0.00 0.00 0.51 0.00 0.00 43.02 40.18 2ksq s PHE 63 CO -0.05 -0.46 0.07 -0.08 0.70 0.00 0.00 175.22 175.41 2ksq s THR 64 N 3.01 4.01 -0.28 0.64 -1.32 -1.03 -0.50 115.64 120.17 2ksq s THR 64 Ca 0.38 -0.56 -0.04 0.00 -1.21 0.00 0.00 61.69 60.25 2ksq s THR 64 Cb -0.15 -3.01 0.02 0.00 -1.51 0.00 0.00 72.50 67.86 2ksq s THR 64 CO 0.08 0.16 0.03 0.68 -2.21 0.00 0.00 174.62 173.35 2ksq s VAL 65 N 1.53 3.47 -0.22 5.08 -7.23 -0.60 0.10 120.40 122.52 2ksq s VAL 65 Ca 0.04 -0.92 -0.14 0.00 -1.81 0.00 0.00 61.98 59.14 2ksq s VAL 65 Cb -0.16 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 2ksq s VAL 65 CO 0.02 0.08 0.32 0.26 -0.31 0.00 0.00 175.10 175.46 2ksq s TRP 66 N 1.40 3.34 -0.37 2.82 0.52 -0.86 -1.48 118.94 124.32 2ksq s TRP 66 Ca 0.00 0.46 -0.06 0.00 0.02 0.00 0.00 56.10 56.52 2ksq s TRP 66 Cb -0.17 -2.45 0.06 0.00 -1.15 0.00 0.00 33.47 29.76 2ksq s TRP 66 CO -0.00 -0.02 0.15 0.16 0.02 0.00 0.00 176.95 177.26 2ksq s ASP 67 N 1.14 5.34 0.03 2.95 -4.77 0.97 0.39 116.67 122.72 2ksq s ASP 67 Ca 0.15 -1.42 -0.02 0.00 -3.30 0.00 0.00 52.55 47.95 2ksq s ASP 67 Cb -0.14 -1.87 -0.04 0.00 -1.09 0.00 0.00 42.92 39.77 2ksq s ASP 67 CO 0.07 -0.42 0.22 -0.69 0.70 0.00 0.00 175.17 175.05 2ksq s VAL 68 N 1.34 5.39 0.14 2.11 1.01 -1.07 -1.68 120.40 127.64 2ksq s VAL 68 Ca 0.01 -0.20 -0.35 0.00 0.00 0.00 0.00 61.98 61.44 2ksq s VAL 68 Cb -0.21 -3.58 -0.15 0.00 0.00 0.00 0.00 36.38 32.44 2ksq s VAL 68 CO 0.01 0.24 1.45 0.61 0.00 0.00 0.00 175.10 177.40 2ksq n GLY 69 N 0.64 0.78 0.01 4.51 0.00 -0.26 -4.67 105.19 106.21 2ksq n GLY 69 Ca -0.08 0.65 0.14 0.00 0.00 0.00 0.00 46.02 46.73 2ksq n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksq n GLY 70 N 2.87 -1.33 3.54 -0.02 0.00 -1.26 -4.31 105.19 104.68 2ksq n GLY 70 Ca 0.17 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2ksq n GLY 70 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ksq n GLN 71 N -1.35 0.72 -0.13 1.61 1.13 -1.26 -4.14 117.38 113.96 2ksq n GLN 71 Ca 0.11 0.28 -0.04 0.00 -1.94 0.00 0.00 57.00 55.41 2ksq n GLN 71 Cb 0.29 -1.93 0.04 0.00 0.11 0.00 0.00 30.24 28.75 2ksq n GLN 71 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2ksq h ASP 72 N 0.42 -0.14 0.17 1.08 5.19 -1.93 0.29 116.42 121.51 2ksq h ASP 72 Ca -0.47 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.03 2ksq h ASP 72 Cb 1.38 0.16 -0.00 0.00 0.18 0.00 0.00 39.33 41.05 2ksq h ASP 72 CO 0.49 -0.03 -0.06 0.03 -3.12 0.00 0.00 179.24 176.55 2ksq h ARG 73 N 0.13 0.00 0.04 3.56 2.47 -1.96 -2.05 114.38 116.57 2ksq h ARG 73 Ca 0.21 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.66 2ksq h ARG 73 Cb 0.30 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 2ksq h ARG 73 CO -0.34 0.06 -1.40 0.82 0.56 0.00 0.00 179.97 179.67 2ksq h ILE 74 N 0.00 1.26 -1.12 2.04 1.08 -0.94 -3.35 117.51 116.48 2ksq h ILE 74 Ca -0.00 -2.98 0.31 0.00 -0.39 0.00 0.00 64.86 61.79 2ksq h ILE 74 Cb 0.16 2.69 -0.08 0.00 -3.07 0.00 0.00 36.82 36.53 2ksq h ILE 74 CO 0.01 0.78 0.76 0.03 -0.69 0.00 0.00 178.15 179.03 2ksq h ARG 75 N 0.03 0.20 -0.82 2.37 3.08 0.17 -1.03 114.38 118.38 2ksq h ARG 75 Ca -0.18 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 2ksq h ARG 75 Cb 1.93 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.90 2ksq h ARG 75 CO 0.13 0.13 0.50 1.03 -1.07 0.00 0.00 179.97 180.69 2ksq h SER 76 N 0.21 0.97 0.34 7.04 0.87 -1.70 -2.19 113.55 119.08 2ksq h SER 76 Ca 0.60 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 2ksq h SER 76 Cb 1.89 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 2ksq h SER 76 CO -0.18 0.74 0.00 0.00 -0.53 0.00 0.00 176.83 176.86 2ksq n LEU 77 N -4.47 0.00 -0.23 2.23 -0.00 -0.39 -3.51 117.00 110.63 2ksq n LEU 77 Ca 0.08 0.29 -0.06 0.00 -0.00 0.00 0.00 56.01 56.33 2ksq n LEU 77 Cb 0.05 -0.29 0.05 0.00 -0.00 0.00 0.00 43.42 43.23 2ksq n LEU 77 CO 0.37 -0.12 1.15 -0.50 -0.00 0.00 0.00 177.39 178.29 2ksq h TRP 78 N 0.00 0.83 -0.62 1.47 6.55 -1.45 -2.17 115.95 120.55 2ksq h TRP 78 Ca 0.00 0.02 -0.22 0.00 0.95 0.00 0.00 58.89 59.64 2ksq h TRP 78 Cb 0.17 -0.28 -0.13 0.00 -0.86 0.00 0.00 29.16 28.06 2ksq h TRP 78 CO 0.00 0.52 0.28 2.89 -1.05 0.00 0.00 178.44 181.08 2ksq n ARG 79 N -4.63 2.86 0.04 0.49 1.85 -1.23 -3.45 116.66 112.60 2ksq n ARG 79 Ca 0.05 -2.34 0.11 0.00 -1.00 0.00 0.00 57.85 54.67 2ksq n ARG 79 Cb 0.02 -1.98 -0.09 0.00 -1.05 0.00 0.00 32.46 29.36 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 -0.21 0.48 -1.97 2.89 -0.00 -0.81 -4.70 115.22 110.90 2ksq n HIS 80 Ca 0.35 0.14 -0.03 0.00 0.46 0.00 0.00 57.72 58.64 2ksq n HIS 80 Cb 1.21 -0.74 -0.01 0.00 -0.12 0.00 0.00 29.99 30.33 2ksq n HIS 80 CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 2ksq n TYR 81 N -2.48 -0.27 -0.22 1.57 4.11 -1.26 -4.99 117.16 113.63 2ksq n TYR 81 Ca -0.03 -0.44 -0.12 0.00 -0.00 0.00 0.00 57.90 57.31 2ksq n TYR 81 Cb 0.57 0.56 0.11 0.00 -0.00 0.00 0.00 39.34 40.58 2ksq n TYR 81 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2ksq n TYR 82 N -0.20 1.67 -3.19 -3.48 4.02 -1.22 -4.78 117.16 109.98 2ksq n TYR 82 Ca -0.15 -1.20 -0.45 0.00 -0.01 0.00 0.00 57.90 56.09 2ksq n TYR 82 Cb 0.55 -0.62 -0.01 0.00 -0.02 0.00 0.00 39.34 39.24 2ksq n TYR 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ksq n ASN 84 N 4.43 0.00 -4.69 0.00 0.23 -1.26 -5.13 115.26 108.85 2ksq n ASN 84 Ca 0.22 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.85 2ksq n ASN 84 Cb 0.45 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.12 2ksq n ASN 84 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2ksq s THR 85 N 0.00 2.57 -0.10 5.53 -1.32 -1.26 -4.71 115.64 116.35 2ksq s THR 85 Ca 0.00 0.03 0.16 0.00 -1.21 0.00 0.00 61.69 60.67 2ksq s THR 85 Cb 0.00 -3.02 -0.17 0.00 -1.51 0.00 0.00 72.50 67.80 2ksq s THR 85 CO 0.00 -0.00 0.75 -0.62 -2.21 0.00 0.00 174.62 172.54 2ksq n GLU 86 N 5.89 0.63 -3.67 7.08 4.71 -0.37 -4.49 120.64 130.41 2ksq n GLU 86 Ca 0.18 0.24 -0.12 0.00 -0.01 0.00 0.00 57.16 57.44 2ksq n GLU 86 Cb 0.38 -1.79 -0.13 0.00 -1.01 0.00 0.00 31.44 28.89 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 -4.90 -0.16 -0.25 0.62 0.00 -0.53 -3.05 107.32 99.05 2ksq s GLY 87 Ca -0.04 1.05 -0.08 0.00 0.00 0.00 0.00 44.72 45.66 2ksq s GLY 87 CO 0.82 1.98 0.08 0.14 0.00 0.00 0.00 173.10 176.11 2ksq s VAL 88 N 2.33 4.37 -0.21 1.40 1.01 -0.88 -1.33 120.40 127.10 2ksq s VAL 88 Ca -0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 2ksq s VAL 88 Cb -0.12 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2ksq s VAL 88 CO -0.09 0.33 0.29 -0.63 0.00 0.00 0.00 175.10 174.99 2ksq s ILE 89 N 1.62 5.28 -0.18 2.22 1.01 0.29 -0.72 121.20 130.72 2ksq s ILE 89 Ca 0.06 0.47 -0.09 0.00 0.00 0.00 0.00 60.65 61.09 2ksq s ILE 89 Cb -0.15 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 2ksq s ILE 89 CO 0.04 0.31 0.13 -0.36 0.00 0.00 0.00 174.94 175.06 2ksq s PHE 90 N 1.10 3.46 -0.38 3.97 0.40 0.30 -2.59 117.98 124.24 2ksq s PHE 90 Ca 0.14 0.38 -0.15 0.00 -0.60 0.00 0.00 56.93 56.69 2ksq s PHE 90 Cb -0.14 -2.10 0.00 0.00 0.51 0.00 0.00 43.02 41.29 2ksq s PHE 90 CO 0.06 0.40 0.34 0.08 0.70 0.00 0.00 175.22 176.80 2ksq s VAL 91 N -0.00 5.20 -0.19 -0.44 1.01 -1.12 -1.76 120.40 123.10 2ksq s VAL 91 Ca 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 2ksq s VAL 91 Cb -0.11 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2ksq s VAL 91 CO -0.00 -0.21 -0.13 0.68 0.00 0.00 0.00 175.10 175.43 2ksq s VAL 92 N 1.90 2.67 0.17 2.92 -7.23 -1.14 -4.22 120.40 115.48 2ksq s VAL 92 Ca 0.09 -0.74 -0.32 0.00 -1.81 0.00 0.00 61.98 59.20 2ksq s VAL 92 Cb -0.17 -2.16 -0.11 0.00 0.56 0.00 0.00 36.38 34.49 2ksq s VAL 92 CO 0.11 0.49 1.72 -1.81 -0.31 0.00 0.00 175.10 175.31 2ksq s ASP 93 N 1.21 6.44 -0.08 4.85 1.01 -1.26 0.13 116.67 128.97 2ksq s ASP 93 Ca 0.02 2.78 -0.11 0.00 0.71 0.00 0.00 52.55 55.95 2ksq s ASP 93 Cb -0.14 -2.59 -0.28 0.00 1.01 0.00 0.00 42.92 40.92 2ksq s ASP 93 CO -0.06 -0.95 0.54 0.77 0.21 0.00 0.00 175.17 175.68 2ksq h SER 94 N 7.36 0.50 0.03 0.27 4.64 -0.59 -3.34 113.55 122.43 2ksq h SER 94 Ca -0.44 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 59.96 2ksq h SER 94 Cb 1.21 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2ksq h SER 94 CO 0.95 1.77 -0.00 -3.20 -0.87 0.00 0.00 176.83 175.48 2ksq n ASN 95 N -3.65 0.16 -4.04 4.97 4.05 -1.25 -3.55 115.26 111.96 2ksq n ASN 95 Ca -0.27 -1.00 -0.36 0.00 0.45 0.00 0.00 54.58 53.40 2ksq n ASN 95 Cb 1.02 -0.01 -0.06 0.00 1.23 0.00 0.00 39.78 41.96 2ksq n ASN 95 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2ksq n ASP 96 N -0.89 4.33 0.22 1.20 2.03 -1.25 -4.87 116.55 117.32 2ksq n ASP 96 Ca 0.23 -3.18 0.08 0.00 0.52 0.00 0.00 54.79 52.43 2ksq n ASP 96 Cb 0.14 -1.03 0.50 0.00 -0.72 0.00 0.00 41.12 40.01 2ksq n ASP 96 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 2ksq h ARG 97 N 5.76 0.00 -0.52 -0.67 -0.00 -1.85 -2.93 114.38 114.17 2ksq h ARG 97 Ca 0.17 0.00 0.06 0.00 -0.00 0.00 0.00 59.98 60.21 2ksq h ARG 97 Cb 0.78 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.70 2ksq h ARG 97 CO 0.89 0.26 0.23 0.77 -0.00 0.00 0.00 179.97 182.12 2ksq h SER 98 N 0.00 0.29 0.02 0.08 0.02 -1.97 -2.22 113.55 109.76 2ksq h SER 98 Ca -0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2ksq h SER 98 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2ksq h SER 98 CO 0.03 0.20 -0.06 0.54 -1.14 0.00 0.00 176.83 176.40 2ksq n ARG 99 N -4.94 1.69 -0.16 3.45 5.12 -1.18 -4.47 116.66 116.17 2ksq n ARG 99 Ca 0.05 -1.14 0.27 0.00 -1.93 0.00 0.00 57.85 55.11 2ksq n ARG 99 Cb 0.18 -1.48 0.53 0.00 -1.16 0.00 0.00 32.46 30.53 2ksq n ARG 99 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 2ksq h ILE 100 N 2.78 0.09 0.02 0.55 6.09 -1.21 0.86 117.51 126.70 2ksq h ILE 100 Ca 0.00 0.00 -0.22 0.00 -1.37 0.00 0.00 64.86 63.27 2ksq h ILE 100 Cb 0.64 0.16 -0.02 0.00 0.47 0.00 0.00 36.82 38.07 2ksq h ILE 100 CO 0.00 0.00 -1.02 1.23 -3.07 0.00 0.00 178.15 175.29 2ksq h GLY 101 N 0.00 0.07 0.91 8.18 0.00 -1.79 -3.07 103.07 107.37 2ksq h GLY 101 Ca 0.44 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 2ksq h GLY 101 CO -0.00 0.15 -0.09 -2.09 0.00 0.00 0.00 176.54 174.50 2ksq h GLU 102 N 0.02 0.63 -0.11 4.80 4.81 0.43 0.11 114.58 125.26 2ksq h GLU 102 Ca -0.03 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 2ksq h GLU 102 Cb 1.76 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.10 2ksq h GLU 102 CO 0.14 0.81 0.06 0.00 -0.73 0.00 0.00 179.01 179.29 2ksq h ALA 103 N 0.80 0.13 -0.22 2.92 0.00 -1.58 0.20 119.26 121.51 2ksq h ALA 103 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2ksq h ALA 103 Cb 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2ksq h ALA 103 CO 0.03 -0.40 -0.05 0.07 0.00 0.00 0.00 179.25 178.91 2ksq h ARG 104 N 0.12 0.43 -0.83 0.00 0.11 -1.51 -2.77 114.38 109.93 2ksq h ARG 104 Ca 0.04 -0.16 -0.02 0.00 0.10 0.00 0.00 59.98 59.94 2ksq h ARG 104 Cb 0.00 -0.03 -0.04 0.00 1.11 0.00 0.00 29.97 31.02 2ksq h ARG 104 CO -0.03 0.66 0.42 1.49 0.10 0.00 0.00 179.97 182.62 2ksq h GLU 105 N 0.16 1.17 -0.34 0.08 4.81 -0.63 -2.14 114.58 117.69 2ksq h GLU 105 Ca 0.06 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 2ksq h GLU 105 Cb 0.50 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2ksq h GLU 105 CO 0.02 0.88 0.03 -0.39 -0.73 0.00 0.00 179.01 178.82 2ksq h VAL 106 N 1.17 1.19 -0.64 0.32 -1.51 -0.55 -2.19 116.25 114.03 2ksq h VAL 106 Ca 0.29 -0.72 -0.03 0.00 -1.23 0.00 0.00 66.70 65.02 2ksq h VAL 106 Cb 0.07 0.90 -0.03 0.00 -2.13 0.00 0.00 31.29 30.10 2ksq h VAL 106 CO -0.04 0.25 0.30 -0.03 -1.23 0.00 0.00 177.57 176.82 2ksq h MET 107 N 0.51 0.94 -0.75 5.19 1.85 -1.10 -2.74 114.93 118.81 2ksq h MET 107 Ca 0.11 -0.15 0.09 0.00 -0.61 0.00 0.00 59.70 59.14 2ksq h MET 107 Cb 0.28 -0.16 -0.07 0.00 0.43 0.00 0.00 31.60 32.08 2ksq h MET 107 CO 0.01 0.76 0.41 0.37 -0.40 0.00 0.00 176.91 178.05 2ksq h GLN 108 N 0.89 0.68 -0.55 0.39 4.15 -1.04 0.43 115.11 120.07 2ksq h GLN 108 Ca 0.22 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.64 2ksq h GLN 108 Cb 0.14 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 2ksq h GLN 108 CO -0.03 0.45 0.30 -0.09 -1.93 0.00 0.00 178.83 177.53 2ksq h ARG 109 N 0.70 0.57 -0.32 1.69 2.43 -1.33 0.84 114.38 118.95 2ksq h ARG 109 Ca 0.36 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.37 2ksq h ARG 109 Cb 0.33 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2ksq h ARG 109 CO -0.24 0.38 -0.29 0.52 -1.51 0.00 0.00 179.97 178.83 2ksq h MET 110 N 0.59 0.76 0.00 0.20 2.86 -1.18 -2.02 114.93 116.14 2ksq h MET 110 Ca 0.24 -0.39 -0.09 0.00 -2.06 0.00 0.00 59.70 57.40 2ksq h MET 110 Cb 0.11 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2ksq h MET 110 CO -0.14 1.01 -0.41 1.25 1.06 0.00 0.00 176.91 179.68 2ksq h LEU 111 N 0.52 0.00 -1.13 1.22 6.46 0.44 -2.92 115.31 119.89 2ksq h LEU 111 Ca 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2ksq h LEU 111 Cb 0.86 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 2ksq h LEU 111 CO 0.07 0.41 -0.17 -0.46 -0.62 0.00 0.00 178.44 177.68 2ksq n ASN 112 N -3.84 1.93 -4.71 1.25 0.23 0.29 -4.84 115.26 105.56 2ksq n ASN 112 Ca -0.01 -1.51 -0.40 0.00 -0.53 0.00 0.00 54.58 52.13 2ksq n ASN 112 Cb 0.47 0.14 -0.04 0.00 -2.08 0.00 0.00 39.78 38.27 2ksq n ASN 112 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2ksq s GLU 113 N -2.22 4.45 0.33 -3.83 0.41 -0.76 -4.94 118.70 112.13 2ksq s GLU 113 Ca 0.28 0.97 0.06 0.00 -0.41 0.00 0.00 54.97 55.87 2ksq s GLU 113 Cb 0.20 -3.45 0.58 0.00 -1.78 0.00 0.00 34.13 29.67 2ksq s GLU 113 CO 0.42 0.03 1.81 0.22 -0.49 0.00 0.00 175.26 177.26 2ksq h ASP 114 N 6.79 0.36 0.84 -0.19 1.82 -1.91 -0.47 116.42 123.66 2ksq h ASP 114 Ca -0.41 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 2ksq h ASP 114 Cb 1.20 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.11 2ksq h ASP 114 CO 0.76 0.57 0.00 -0.33 -1.61 0.00 0.00 179.24 178.62 2ksq h GLU 115 N 0.34 0.00 0.00 0.28 5.08 -1.93 -2.99 114.58 115.36 2ksq h GLU 115 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2ksq h GLU 115 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2ksq h GLU 115 CO 0.03 0.00 -0.11 -0.11 -1.00 0.00 0.00 179.01 177.83 2ksq n LEU 116 N -2.48 1.73 0.00 1.33 7.94 -0.73 -4.71 117.00 120.08 2ksq n LEU 116 Ca 0.02 -2.43 0.13 0.00 -1.11 0.00 0.00 56.01 52.61 2ksq n LEU 116 Cb 0.26 -0.28 0.70 0.00 0.53 0.00 0.00 43.42 44.62 2ksq n LEU 116 CO 0.22 0.57 0.93 0.00 -1.11 0.00 0.00 177.39 178.00 2ksq n ASN 118 N -1.15 1.13 -4.87 0.00 3.02 -1.26 -4.99 115.26 107.15 2ksq n ASN 118 Ca 0.16 -1.07 -0.34 0.00 -0.03 0.00 0.00 54.58 53.30 2ksq n ASN 118 Cb 0.14 0.58 -0.05 0.00 -0.61 0.00 0.00 39.78 39.85 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ksq s ALA 119 N -1.60 3.70 1.07 5.41 0.00 -1.10 -4.87 121.76 124.37 2ksq s ALA 119 Ca 0.08 -0.35 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 2ksq s ALA 119 Cb 0.09 -2.31 0.23 0.00 0.00 0.00 0.00 23.12 21.13 2ksq s ALA 119 CO 0.32 0.55 1.17 0.00 0.00 0.00 0.00 175.76 177.80 2ksq s ALA 120 N -1.44 1.27 -0.42 0.00 0.00 -1.17 -4.75 121.76 115.25 2ksq s ALA 120 Ca 0.35 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.46 2ksq s ALA 120 Cb -0.14 -2.90 0.19 0.00 0.00 0.00 0.00 23.12 20.27 2ksq s ALA 120 CO 0.19 -3.00 0.43 0.91 0.00 0.00 0.00 175.76 174.29 2ksq n TRP 121 N -4.28 -1.31 -3.19 0.00 8.01 -1.04 -2.06 117.44 113.57 2ksq n TRP 121 Ca 0.12 -3.04 -0.42 0.00 -1.31 0.00 0.00 57.50 52.84 2ksq n TRP 121 Cb 0.59 0.38 -0.07 0.00 -2.01 0.00 0.00 31.31 30.20 2ksq n TRP 121 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 2ksq s LEU 122 N -0.02 4.45 -0.02 -0.99 0.20 0.10 -2.65 118.68 119.75 2ksq s LEU 122 Ca 0.33 -0.19 -0.04 0.00 0.69 0.00 0.00 54.13 54.92 2ksq s LEU 122 Cb 0.06 -2.63 -0.04 0.00 -0.43 0.00 0.00 46.19 43.14 2ksq s LEU 122 CO -0.17 -0.60 0.20 0.68 -0.29 0.00 0.00 176.35 176.17 2ksq s VAL 123 N 2.54 5.41 -0.16 1.68 -7.23 0.19 0.11 120.40 122.94 2ksq s VAL 123 Ca 0.20 -0.01 -0.02 0.00 -1.81 0.00 0.00 61.98 60.34 2ksq s VAL 123 Cb -0.15 -3.52 0.05 0.00 0.56 0.00 0.00 36.38 33.31 2ksq s VAL 123 CO 0.15 0.39 0.03 -0.36 -0.31 0.00 0.00 175.10 175.00 2ksq s PHE 124 N -1.27 0.88 -0.36 2.82 0.40 -0.72 -1.31 117.98 118.42 2ksq s PHE 124 Ca 0.25 -0.62 -0.27 0.00 -0.60 0.00 0.00 56.93 55.69 2ksq s PHE 124 Cb -0.13 -0.95 -0.04 0.00 0.51 0.00 0.00 43.02 42.41 2ksq s PHE 124 CO 0.16 -0.52 2.13 0.00 0.70 0.00 0.00 175.22 177.68 2ksq s ALA 125 N 1.91 2.41 0.80 5.36 0.00 0.57 -2.88 121.76 129.93 2ksq s ALA 125 Ca 0.01 0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.15 2ksq s ALA 125 Cb -0.16 -4.16 0.07 0.00 0.00 0.00 0.00 23.12 18.88 2ksq s ALA 125 CO -0.07 -3.31 1.16 -0.80 0.00 0.00 0.00 175.76 172.73 2ksq s ASN 126 N 8.77 4.55 -1.13 0.00 0.02 0.12 -2.73 114.94 124.54 2ksq s ASN 126 Ca 0.91 0.89 0.00 0.00 -1.02 0.00 0.00 52.86 53.65 2ksq s ASN 126 Cb -0.24 -1.46 0.00 0.00 0.02 0.00 0.00 41.25 39.56 2ksq s ASN 126 CO 0.31 -1.89 0.00 0.29 0.02 0.00 0.00 177.10 175.83 2ksq n LYS 127 N -3.32 -0.84 0.24 -0.60 5.02 -1.26 0.13 118.16 117.52 2ksq n LYS 127 Ca 0.08 0.78 0.09 0.00 -2.02 0.00 0.00 58.31 57.24 2ksq n LYS 127 Cb 0.60 -4.82 0.66 0.00 -0.02 0.00 0.00 35.03 31.45 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 -1.69 -0.83 115.11 115.64 2ksq h GLN 128 Ca -0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 2ksq h GLN 128 Cb 0.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 2ksq h GLN 128 CO 0.34 0.00 0.00 0.38 -0.95 0.00 0.00 178.83 178.60 2ksq h ASP 129 N 0.00 0.00 -3.14 1.46 3.04 -1.91 -3.43 116.42 112.45 2ksq h ASP 129 Ca 0.02 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 53.28 2ksq h ASP 129 Cb 0.09 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.40 2ksq h ASP 129 CO -0.00 0.00 0.68 -0.76 -2.04 0.00 0.00 179.24 177.12 2ksq s LEU 130 N -5.37 4.38 0.53 0.15 2.01 -0.32 -4.89 118.68 115.18 2ksq s LEU 130 Ca 0.01 2.29 0.34 0.00 0.01 0.00 0.00 54.13 56.77 2ksq s LEU 130 Cb 0.09 -3.59 1.50 0.00 0.01 0.00 0.00 46.19 44.20 2ksq s LEU 130 CO 0.43 -0.58 1.84 -0.65 1.01 0.00 0.00 176.35 178.39 2ksq h PRO 131 N 6.41 0.02 -0.80 1.29 0.11 -1.88 0.58 132.00 137.73 2ksq h PRO 131 Ca -0.43 -0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.40 2ksq h PRO 131 Cb 1.21 -0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.15 2ksq h PRO 131 CO 0.83 0.01 0.35 0.39 -0.21 0.00 0.00 178.00 179.38 2ksq n GLU 132 N -4.24 3.44 -2.05 1.05 4.71 -1.26 -4.98 120.64 117.31 2ksq n GLU 132 Ca 0.22 -3.09 -0.42 0.00 -0.01 0.00 0.00 57.16 53.87 2ksq n GLU 132 Cb 1.11 -2.22 -0.03 0.00 -1.01 0.00 0.00 31.44 29.29 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ksq s ALA 133 N -3.07 3.66 0.51 0.62 0.00 0.20 -4.64 121.76 119.04 2ksq s ALA 133 Ca 0.56 1.26 -0.21 0.00 0.00 0.00 0.00 51.96 53.57 2ksq s ALA 133 Cb 0.45 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 2ksq s ALA 133 CO 0.13 -0.70 1.19 1.41 0.00 0.00 0.00 175.76 177.79 2ksq s MET 134 N 0.54 3.48 0.72 0.00 1.75 -1.23 -4.95 119.30 119.61 2ksq s MET 134 Ca 0.64 1.81 -0.11 0.00 -1.25 0.00 0.00 55.69 56.78 2ksq s MET 134 Cb -0.41 -2.24 0.02 0.00 2.84 0.00 0.00 34.83 35.05 2ksq s MET 134 CO 0.35 -0.79 1.08 0.45 -0.65 0.00 0.00 175.02 175.46 2ksq s SER 135 N -1.42 5.24 0.19 1.11 0.15 -1.26 -4.92 113.70 112.79 2ksq s SER 135 Ca 0.69 1.32 -0.09 0.00 0.70 0.00 0.00 55.95 58.57 2ksq s SER 135 Cb -0.29 -2.15 0.08 0.00 -1.71 0.00 0.00 66.02 61.95 2ksq s SER 135 CO 0.35 -1.49 1.65 0.00 1.20 0.00 0.00 173.24 174.94 2ksq h ALA 136 N -0.76 0.85 -0.52 5.45 0.00 -1.99 -2.53 119.26 119.76 2ksq h ALA 136 Ca -0.45 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.16 2ksq h ALA 136 Cb 1.24 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2ksq h ALA 136 CO 0.61 0.67 0.34 0.00 0.00 0.00 0.00 179.25 180.87 2ksq h ALA 137 N 1.01 1.67 0.00 0.00 0.00 -1.99 0.42 119.26 120.38 2ksq h ALA 137 Ca 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2ksq h ALA 137 Cb 0.56 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ksq h ALA 137 CO 0.03 0.29 -0.07 1.49 0.00 0.00 0.00 179.25 180.99 2ksq h GLU 138 N 0.66 0.04 -0.61 0.00 4.57 -1.89 -2.70 114.58 114.66 2ksq h GLU 138 Ca 0.20 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 2ksq h GLU 138 Cb -0.02 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2ksq h GLU 138 CO -0.05 0.87 0.30 0.82 -1.18 0.00 0.00 179.01 179.78 2ksq h ILE 139 N -0.76 1.20 0.18 2.32 2.04 -1.33 -1.95 117.51 119.21 2ksq h ILE 139 Ca -0.01 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 2ksq h ILE 139 Cb 0.90 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2ksq h ILE 139 CO 0.01 0.23 -0.09 0.71 0.00 0.00 0.00 178.15 179.01 2ksq h THR 140 N 0.85 0.91 0.23 -0.27 1.35 -1.00 -2.44 112.91 112.54 2ksq h THR 140 Ca 0.21 -0.51 0.01 0.00 -0.55 0.00 0.00 66.41 65.57 2ksq h THR 140 Cb 0.07 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.69 2ksq h THR 140 CO -0.03 0.12 -0.26 -0.33 -0.25 0.00 0.00 175.52 174.77 2ksq h GLU 141 N -0.50 -0.51 -0.34 4.72 5.08 -1.30 -1.60 114.58 120.12 2ksq h GLU 141 Ca -0.03 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 2ksq h GLU 141 Cb 0.38 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2ksq h GLU 141 CO 0.04 -0.34 0.28 -0.22 -1.00 0.00 0.00 179.01 177.77 2ksq h LYS 142 N -0.53 0.00 -0.01 2.33 3.64 -1.41 0.22 116.57 120.81 2ksq h LYS 142 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ksq h LYS 142 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2ksq h LYS 142 CO -0.08 0.00 -0.04 1.28 -2.27 0.00 0.00 179.45 178.34 2ksq n LEU 143 N -4.17 1.25 -2.51 5.20 4.32 -0.79 -4.93 117.00 115.37 2ksq n LEU 143 Ca 0.05 -0.40 -0.18 0.00 -0.02 0.00 0.00 56.01 55.46 2ksq n LEU 143 Cb 0.45 -0.03 0.03 0.00 -1.62 0.00 0.00 43.42 42.25 2ksq n LEU 143 CO 0.33 0.21 0.02 0.61 -1.22 0.00 0.00 177.39 177.34 2ksq n GLY 144 N 1.19 -0.28 0.24 -0.72 0.00 0.79 -4.91 105.19 101.49 2ksq n GLY 144 Ca 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.22 0.53 -1.03 0.99 7.12 -1.52 -0.05 115.31 120.13 2ksq h LEU 145 Ca -0.43 0.02 -0.08 0.00 0.13 0.00 0.00 57.88 57.52 2ksq h LEU 145 Cb 1.30 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.32 2ksq h LEU 145 CO 0.46 0.36 -0.36 -0.74 -0.13 0.00 0.00 178.44 178.02 2ksq h HIS 146 N 0.66 0.00 0.00 1.25 2.76 -1.91 -2.88 115.15 115.03 2ksq h HIS 146 Ca 0.25 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2ksq h HIS 146 Cb 0.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.06 2ksq h HIS 146 CO -0.07 0.36 -0.41 0.43 -1.30 0.00 0.00 177.93 176.94 2ksq n SER 147 N -3.59 0.41 -4.33 3.26 7.64 -0.77 -4.75 113.62 111.48 2ksq n SER 147 Ca -0.01 -0.10 -0.40 0.00 1.01 0.00 0.00 58.87 59.38 2ksq n SER 147 Cb 0.48 0.11 -0.11 0.00 -1.01 0.00 0.00 64.21 63.68 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 -3.00 4.30 -0.07 0.44 1.01 -0.10 -4.89 121.20 118.88 2ksq s ILE 148 Ca 0.11 -0.99 0.22 0.00 0.00 0.00 0.00 60.65 60.00 2ksq s ILE 148 Cb 0.18 -3.43 0.43 0.00 0.01 0.00 0.00 42.46 39.65 2ksq s ILE 148 CO 0.67 -0.24 1.18 -1.14 0.00 0.00 0.00 174.94 175.41 2ksq n ARG 149 N 4.93 0.51 0.00 2.79 3.00 -1.26 -4.78 116.66 121.85 2ksq n ARG 149 Ca -0.12 -2.41 0.04 0.00 -0.00 0.00 0.00 57.85 55.36 2ksq n ARG 149 Cb 0.45 -0.48 -0.03 0.00 0.00 0.00 0.00 32.46 32.40 2ksq n ARG 149 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2ksq n ASN 150 N 0.07 0.68 -3.81 6.15 3.02 -1.26 -5.00 115.26 115.11 2ksq n ASN 150 Ca 0.09 -0.84 -0.13 0.00 -0.03 0.00 0.00 54.58 53.68 2ksq n ASN 150 Cb 1.03 0.81 -0.13 0.00 -0.61 0.00 0.00 39.78 40.88 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 -1.63 0.16 -0.70 3.52 1.81 -1.26 -5.10 118.95 115.74 2ksq s ARG 151 Ca 0.05 0.23 -0.26 0.00 -1.72 0.00 0.00 55.73 54.04 2ksq s ARG 151 Cb 0.07 0.03 -0.05 0.00 -0.45 0.00 0.00 34.95 34.55 2ksq s ARG 151 CO 0.31 -0.05 2.02 -1.25 -0.68 0.00 0.00 175.30 175.66 2ksq s PRO 152 N 0.28 2.42 -0.00 3.54 0.04 -1.26 -4.93 135.00 135.09 2ksq s PRO 152 Ca -0.02 0.43 -0.01 0.00 0.04 0.00 0.00 61.00 61.45 2ksq s PRO 152 Cb -0.03 -4.67 -0.00 0.00 0.04 0.00 0.00 34.50 29.84 2ksq s PRO 152 CO -0.01 -3.19 0.01 1.67 0.04 0.00 0.00 177.00 175.52 2ksq s TRP 153 N 10.44 0.03 0.06 0.56 1.48 -1.26 -2.51 118.94 127.74 2ksq s TRP 153 Ca 0.75 -0.05 0.02 0.00 -1.06 0.00 0.00 56.10 55.76 2ksq s TRP 153 Cb -0.11 -0.03 -0.03 0.00 -1.16 0.00 0.00 33.47 32.14 2ksq s TRP 153 CO 0.13 -0.05 -0.07 -0.06 -4.06 0.00 0.00 176.95 172.85 2ksq s PHE 154 N -0.27 0.71 -0.09 1.66 0.08 -1.08 -4.99 117.98 113.99 2ksq s PHE 154 Ca -0.03 -0.69 0.04 0.00 0.12 0.00 0.00 56.93 56.37 2ksq s PHE 154 Cb -0.02 -0.43 -0.01 0.00 -0.57 0.00 0.00 43.02 42.00 2ksq s PHE 154 CO -0.00 -0.13 -0.21 -1.50 -0.10 0.00 0.00 175.22 173.27 2ksq s ILE 155 N -2.35 2.34 -0.01 0.64 2.07 -1.25 0.52 121.20 123.16 2ksq s ILE 155 Ca -0.02 -0.93 0.02 0.00 -1.41 0.00 0.00 60.65 58.31 2ksq s ILE 155 Cb -0.03 -1.91 -0.00 0.00 0.13 0.00 0.00 42.46 40.65 2ksq s ILE 155 CO -0.02 0.56 -0.08 -1.10 -1.91 0.00 0.00 174.94 172.39 2ksq s GLN 156 N 0.17 0.70 -0.35 3.50 -1.52 -0.43 -4.99 119.66 116.74 2ksq s GLN 156 Ca -0.12 -0.27 -0.22 0.00 -1.95 0.00 0.00 55.36 52.80 2ksq s GLN 156 Cb -0.16 -0.68 0.00 0.00 -0.22 0.00 0.00 33.01 31.95 2ksq s GLN 156 CO 0.07 0.14 0.72 0.00 -0.25 0.00 0.00 175.29 175.96 2ksq s ALA 157 N -0.03 3.46 0.25 6.09 0.00 -1.26 -0.32 121.76 129.95 2ksq s ALA 157 Ca 0.01 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2ksq s ALA 157 Cb -0.05 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 2ksq s ALA 157 CO -0.00 -1.37 0.02 -0.08 0.00 0.00 0.00 175.76 174.33 2ksq s THR 158 N 2.90 1.01 -0.27 0.00 -1.32 -1.11 -4.84 115.64 112.01 2ksq s THR 158 Ca 0.28 -2.03 -0.00 0.00 -1.21 0.00 0.00 61.69 58.73 2ksq s THR 158 Cb -0.14 -2.47 0.08 0.00 -1.51 0.00 0.00 72.50 68.47 2ksq s THR 158 CO 0.15 -0.22 0.05 0.00 -2.21 0.00 0.00 174.62 172.39 2ksq h ALA 160 N 8.05 0.91 -0.94 0.00 0.00 -1.92 0.93 119.26 126.29 2ksq h ALA 160 Ca -0.14 -0.44 0.21 0.00 0.00 0.00 0.00 54.91 54.54 2ksq h ALA 160 Cb 1.05 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 2ksq h ALA 160 CO 0.44 0.64 0.61 1.79 0.00 0.00 0.00 179.25 182.73 2ksq h THR 161 N 0.37 0.66 0.00 0.00 1.35 -1.94 -2.98 112.91 110.37 2ksq h THR 161 Ca 0.03 -0.15 -0.28 0.00 -0.55 0.00 0.00 66.41 65.46 2ksq h THR 161 Cb 0.91 0.18 -0.05 0.00 -1.73 0.00 0.00 68.15 67.46 2ksq h THR 161 CO 0.08 0.08 -2.05 -1.20 -0.25 0.00 0.00 175.52 172.18 2ksq n SER 162 N -4.54 2.47 0.00 5.36 7.64 -1.14 -4.67 113.62 118.74 2ksq n SER 162 Ca 0.21 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2ksq n SER 162 Cb 0.72 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 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 2.55 0.90 3.76 0.23 0.00 0.32 -4.92 105.19 108.04 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 1.85 0.00 0.00 0.00 173.32 175.17 2ksq s GLU 164 N -0.64 4.46 0.00 1.61 2.56 -1.07 -2.99 118.70 122.64 2ksq s GLU 164 Ca 0.00 2.05 0.00 0.00 0.00 0.00 0.00 54.97 57.02 2ksq s GLU 164 Cb 0.00 -3.13 0.00 0.00 2.00 0.00 0.00 34.13 33.00 2ksq s GLU 164 CO 0.00 -0.05 0.00 0.41 -0.56 0.00 0.00 175.26 175.06 2ksq n GLY 165 N 1.15 2.97 0.25 -1.50 0.00 -1.26 -2.55 105.19 104.25 2ksq n GLY 165 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2ksq n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ksq h LEU 166 N 0.00 0.80 -0.45 0.99 3.38 -1.88 -2.84 115.31 115.30 2ksq h LEU 166 Ca 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2ksq h LEU 166 Cb 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2ksq h LEU 166 CO 0.00 0.80 0.26 1.88 0.09 0.00 0.00 178.44 181.47 2ksq h TYR 167 N 0.76 0.61 -0.91 1.13 0.05 -1.90 -2.68 116.97 114.04 2ksq h TYR 167 Ca 0.17 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.01 2ksq h TYR 167 Cb 0.29 -0.20 -0.06 0.00 1.01 0.00 0.00 36.73 37.78 2ksq h TYR 167 CO 0.02 0.45 0.59 0.93 -1.05 0.00 0.00 178.16 179.10 2ksq h GLU 168 N 0.60 1.00 -0.54 4.88 5.08 -1.93 -2.42 114.58 121.26 2ksq h GLU 168 Ca 0.16 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2ksq h GLU 168 Cb 0.03 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 2ksq h GLU 168 CO -0.03 0.66 0.33 0.78 -1.00 0.00 0.00 179.01 179.75 2ksq h GLY 169 N 1.03 0.78 2.00 -3.84 0.00 -1.24 -2.02 103.07 99.78 2ksq h GLY 169 Ca 0.39 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 2ksq h GLY 169 CO -0.15 0.31 -0.20 -2.00 0.00 0.00 0.00 176.54 174.51 2ksq h LEU 170 N 0.72 0.00 -0.24 3.11 5.85 -1.33 -2.58 115.31 120.83 2ksq h LEU 170 Ca 0.19 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 2ksq h LEU 170 Cb -0.02 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 2ksq h LEU 170 CO -0.04 0.20 -0.20 -0.33 -0.34 0.00 0.00 178.44 177.73 2ksq h GLU 171 N 0.00 0.56 -0.50 1.25 4.39 -1.03 -2.04 114.58 117.22 2ksq h GLU 171 Ca -0.00 -0.28 -0.06 0.00 0.34 0.00 0.00 59.36 59.36 2ksq h GLU 171 Cb 0.37 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2ksq h GLU 171 CO 0.03 0.87 0.08 -1.49 -1.16 0.00 0.00 179.01 177.33 2ksq h TRP 172 N 0.27 0.81 -0.07 4.33 -0.00 -1.15 -2.18 115.95 117.96 2ksq h TRP 172 Ca 0.04 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.89 58.83 2ksq h TRP 172 Cb 0.74 -0.23 -0.00 0.00 -0.00 0.00 0.00 29.16 29.67 2ksq h TRP 172 CO 0.07 0.71 -0.02 1.25 -0.00 0.00 0.00 178.44 180.45 2ksq h LEU 173 N 0.74 0.14 -1.76 -4.49 7.12 -1.42 -2.61 115.31 113.04 2ksq h LEU 173 Ca 0.16 -0.39 -0.01 0.00 0.13 0.00 0.00 57.88 57.77 2ksq h LEU 173 Cb 0.34 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 2ksq h LEU 173 CO 0.01 0.50 -0.00 -1.28 -0.13 0.00 0.00 178.44 177.53 2ksq h SER 174 N -0.22 0.13 0.50 1.25 0.87 -1.26 -2.15 113.55 112.68 2ksq h SER 174 Ca 0.02 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.40 2ksq h SER 174 Cb 0.44 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2ksq h SER 174 CO 0.01 0.16 -0.71 0.78 -0.53 0.00 0.00 176.83 176.54 2ksq h ASN 175 N 0.14 0.21 0.41 6.23 2.35 -1.32 -2.49 115.58 121.11 2ksq h ASN 175 Ca 0.04 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.57 2ksq h ASN 175 Cb 0.11 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2ksq h ASN 175 CO 0.00 0.85 -0.38 0.00 -1.65 0.00 0.00 177.43 176.25 2ksq n LEU 177 N -4.04 1.68 -0.30 0.00 4.32 -1.19 -4.47 117.00 113.00 2ksq n LEU 177 Ca -0.02 0.51 -0.01 0.00 -0.02 0.00 0.00 56.01 56.47 2ksq n LEU 177 Cb 0.42 -0.80 0.17 0.00 -1.62 0.00 0.00 43.42 41.58 2ksq n LEU 177 CO 0.39 -0.42 1.24 0.11 -1.22 0.00 0.00 177.39 177.49 2ksq h LYS 178 N -0.91 1.16 -7.06 3.23 1.79 -1.59 -3.46 116.57 109.73 2ksq h LYS 178 Ca 0.00 -0.09 -0.62 0.00 -2.18 0.00 0.00 60.65 57.77 2ksq h LYS 178 Cb 0.59 -0.25 -0.17 0.00 -1.58 0.00 0.00 32.23 30.82 2ksq h LYS 178 CO 0.00 0.79 -0.98 0.27 -1.08 0.00 0.00 179.45 178.45 2ksq n ASN 179 N -4.38 -0.04 -0.12 0.86 0.23 -0.06 -4.87 115.26 106.88 2ksq n ASN 179 Ca 0.10 -1.28 -0.23 0.00 -0.53 0.00 0.00 54.58 52.64 2ksq n ASN 179 Cb 0.04 -1.61 -0.09 0.00 -2.08 0.00 0.00 39.78 36.04 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 -2.74 1.91 -0.80 0.53 7.64 -1.26 -5.09 113.62 113.80 2ksq n SER 180 Ca -0.29 0.40 0.13 0.00 1.01 0.00 0.00 58.87 60.12 2ksq n SER 180 Cb 0.67 -0.88 0.24 0.00 -1.01 0.00 0.00 64.21 63.24 2ksq n SER 180 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38