#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 0.20 -0.33 0.99 -0.00 -2.06 -2.31 115.31 111.81 2ksq h LEU 3 Ca 0.00 -0.48 -0.08 0.00 -0.00 0.00 0.00 57.88 57.32 2ksq h LEU 3 Cb 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.59 2ksq h LEU 3 CO 0.00 0.64 -0.09 0.15 -0.00 0.00 0.00 178.44 179.14 2ksq h PHE 4 N -0.24 0.73 0.43 1.13 3.57 -2.06 -2.96 116.94 117.54 2ksq h PHE 4 Ca 0.01 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 2ksq h PHE 4 Cb 0.58 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2ksq h PHE 4 CO 0.09 0.82 -0.39 0.00 -2.23 0.00 0.00 178.31 176.60 2ksq h ALA 5 N 0.80 -0.87 -0.82 2.41 0.00 -2.01 -2.26 119.26 116.51 2ksq h ALA 5 Ca 0.08 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.05 2ksq h ALA 5 Cb 0.59 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2ksq h ALA 5 CO 0.03 -1.02 0.56 1.03 0.00 0.00 0.00 179.25 179.86 2ksq h SER 6 N -0.83 0.24 0.05 0.00 0.87 -1.46 -0.61 113.55 111.81 2ksq h SER 6 Ca -0.04 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2ksq h SER 6 Cb 0.72 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2ksq h SER 6 CO -0.04 0.10 -0.02 0.11 -0.53 0.00 0.00 176.83 176.45 2ksq h LYS 7 N 0.24 -0.07 -0.21 2.24 1.57 -1.25 -1.11 116.57 117.99 2ksq h LYS 7 Ca 0.41 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.26 2ksq h LYS 7 Cb 1.24 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 2ksq h LYS 7 CO -0.10 0.19 0.16 -0.07 -0.57 0.00 0.00 179.45 179.06 2ksq h LEU 8 N -0.32 0.00 -0.28 2.94 4.07 -0.65 0.22 115.31 121.29 2ksq h LEU 8 Ca -0.01 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.77 2ksq h LEU 8 Cb 0.29 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 2ksq h LEU 8 CO 0.01 0.00 -0.86 0.15 -1.08 0.00 0.00 178.44 176.66 2ksq h PHE 9 N 0.00 0.05 -0.05 1.13 3.57 -0.95 -3.25 116.94 117.43 2ksq h PHE 9 Ca 0.10 -0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.40 2ksq h PHE 9 Cb 0.41 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2ksq h PHE 9 CO 0.00 0.88 -0.73 1.03 -2.23 0.00 0.00 178.31 177.26 2ksq h SER 10 N 0.02 0.36 0.45 0.41 0.87 0.31 -3.06 113.55 112.91 2ksq h SER 10 Ca -0.02 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.29 2ksq h SER 10 Cb 1.52 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.37 2ksq h SER 10 CO 0.12 0.96 -0.08 0.78 -0.53 0.00 0.00 176.83 178.08 2ksq h ASN 11 N 0.20 0.00 -0.19 6.23 2.35 -1.41 -2.45 115.58 120.32 2ksq h ASN 11 Ca -0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 2ksq h ASN 11 Cb 1.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.65 2ksq h ASN 11 CO 0.12 0.08 0.00 0.25 -1.65 0.00 0.00 177.43 176.24 2ksq h LEU 12 N 0.00 0.41 -3.73 1.61 5.85 -1.61 -1.99 115.31 115.86 2ksq h LEU 12 Ca -0.00 -0.07 -0.20 0.00 0.84 0.00 0.00 57.88 58.46 2ksq h LEU 12 Cb 0.33 -0.11 -0.12 0.00 0.37 0.00 0.00 40.66 41.14 2ksq h LEU 12 CO 0.01 0.47 0.25 0.49 -0.34 0.00 0.00 178.44 179.32 2ksq n PHE 13 N -4.31 2.46 -0.00 1.25 3.01 -0.92 -4.24 117.46 114.70 2ksq n PHE 13 Ca 0.01 -1.15 -0.00 0.00 1.01 0.00 0.00 57.45 57.32 2ksq n PHE 13 Cb 0.22 -0.68 -0.01 0.00 -0.01 0.00 0.00 39.48 39.00 2ksq n PHE 13 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ksq n GLY 14 N -0.04 -0.06 3.54 1.37 0.00 -0.76 -4.69 105.19 104.55 2ksq n GLY 14 Ca 0.40 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 2ksq n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ksq n ASN 15 N -1.81 2.11 -3.70 1.61 4.05 -1.16 -1.96 115.26 114.40 2ksq n ASN 15 Ca -0.01 -0.39 -0.27 0.00 0.45 0.00 0.00 54.58 54.36 2ksq n ASN 15 Cb 0.30 -1.50 0.05 0.00 1.23 0.00 0.00 39.78 39.86 2ksq n ASN 15 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2ksq n LYS 16 N 8.93 -6.63 -3.73 1.20 5.02 -1.26 -4.95 118.16 116.73 2ksq n LYS 16 Ca 0.40 0.72 -0.16 0.00 -2.02 0.00 0.00 58.31 57.25 2ksq n LYS 16 Cb 0.48 -5.69 -0.16 0.00 -0.02 0.00 0.00 35.03 29.63 2ksq n LYS 16 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2ksq s GLU 17 N -6.41 -0.04 -0.03 1.97 2.12 -0.83 -1.84 118.70 113.65 2ksq s GLU 17 Ca 0.61 0.27 0.05 0.00 0.36 0.00 0.00 54.97 56.26 2ksq s GLU 17 Cb -0.29 -0.32 -0.03 0.00 0.26 0.00 0.00 34.13 33.76 2ksq s GLU 17 CO 0.75 -0.22 -0.18 -1.64 -0.54 0.00 0.00 175.26 173.43 2ksq s MET 18 N 1.46 2.33 -0.19 4.30 -1.94 -1.09 -4.58 119.30 119.60 2ksq s MET 18 Ca -0.04 -0.80 -0.07 0.00 -1.71 0.00 0.00 55.69 53.06 2ksq s MET 18 Cb -0.13 -2.26 -0.04 0.00 2.01 0.00 0.00 34.83 34.42 2ksq s MET 18 CO -0.03 0.59 0.05 0.50 -0.01 0.00 0.00 175.02 176.12 2ksq s ARG 19 N -0.83 3.90 0.15 2.03 6.06 -1.26 -1.86 118.95 127.14 2ksq s ARG 19 Ca 0.12 -0.38 0.08 0.00 -2.50 0.00 0.00 55.73 53.04 2ksq s ARG 19 Cb -0.10 -3.19 -0.04 0.00 0.06 0.00 0.00 34.95 31.68 2ksq s ARG 19 CO 0.01 0.22 -0.17 0.42 -2.50 0.00 0.00 175.30 173.27 2ksq s ILE 20 N 0.52 1.70 -0.00 4.11 -1.09 0.29 0.78 121.20 127.51 2ksq s ILE 20 Ca 0.02 -1.86 0.03 0.00 -2.23 0.00 0.00 60.65 56.61 2ksq s ILE 20 Cb -0.13 -1.77 -0.01 0.00 -1.58 0.00 0.00 42.46 38.98 2ksq s ILE 20 CO 0.01 -0.33 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.08 2ksq s LEU 21 N -2.60 2.04 -0.25 2.97 2.96 -0.26 -2.25 118.68 121.29 2ksq s LEU 21 Ca 0.14 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2ksq s LEU 21 Cb -0.06 -0.43 0.02 0.00 0.50 0.00 0.00 46.19 46.22 2ksq s LEU 21 CO 0.06 0.08 -0.06 -0.04 -1.32 0.00 0.00 176.35 175.08 2ksq s MET 22 N -0.33 2.87 0.04 1.98 -1.94 0.13 0.10 119.30 122.15 2ksq s MET 22 Ca 0.02 -0.96 -0.01 0.00 -1.71 0.00 0.00 55.69 53.03 2ksq s MET 22 Cb -0.04 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.77 2ksq s MET 22 CO -0.00 -0.39 -0.01 0.08 -0.01 0.00 0.00 175.02 174.68 2ksq s VAL 23 N 1.34 0.19 -4.32 -6.03 1.01 -1.11 -2.63 120.40 108.85 2ksq s VAL 23 Ca 0.01 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.44 2ksq s VAL 23 Cb -0.17 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2ksq s VAL 23 CO -0.04 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 174.82 2ksq n GLY 24 N 0.46 -0.50 3.76 4.51 0.00 -1.26 -2.70 105.19 109.46 2ksq n GLY 24 Ca -0.16 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 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 2.47 0.00 0.99 1.02 -1.26 -3.88 118.68 118.02 2ksq s LEU 25 Ca 0.00 1.42 0.26 0.00 0.02 0.00 0.00 54.13 55.83 2ksq s LEU 25 Cb 0.00 -3.95 1.54 0.00 0.02 0.00 0.00 46.19 43.80 2ksq s LEU 25 CO 0.00 -2.28 1.92 -0.67 0.02 0.00 0.00 176.35 175.34 2ksq n ASP 26 N -3.64 0.00 0.00 2.29 2.03 -1.26 -3.35 116.55 112.62 2ksq n ASP 26 Ca 0.07 -0.75 0.00 0.00 0.52 0.00 0.00 54.79 54.63 2ksq n ASP 26 Cb 0.56 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 2ksq n ASP 26 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ksq n GLY 27 N 0.67 -0.19 0.12 0.27 0.00 -1.26 -4.84 105.19 99.96 2ksq n GLY 27 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.84 -3.47 119.26 118.36 2ksq h ALA 28 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ksq h ALA 28 Cb 0.38 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2ksq h ALA 28 CO 0.00 -0.46 0.00 0.41 0.00 0.00 0.00 179.25 179.20 2ksq n GLY 29 N -0.32 0.94 0.37 0.00 0.00 -1.26 -4.58 105.19 100.34 2ksq n GLY 29 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 1.27 -0.23 1.61 2.10 -1.91 -2.41 116.57 117.00 2ksq h LYS 30 Ca 0.00 -0.08 -0.17 0.00 -2.00 0.00 0.00 60.65 58.40 2ksq h LYS 30 Cb 0.00 -0.29 -0.00 0.00 -0.90 0.00 0.00 32.23 31.04 2ksq h LYS 30 CO 0.00 0.84 -0.55 1.79 -2.00 0.00 0.00 179.45 179.53 2ksq h THR 31 N 1.31 1.30 -0.27 0.07 1.35 -1.96 -2.83 112.91 111.88 2ksq h THR 31 Ca 0.35 -1.77 -0.01 0.00 -0.55 0.00 0.00 66.41 64.43 2ksq h THR 31 Cb -0.15 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 2ksq h THR 31 CO -0.08 0.56 0.15 0.71 -0.25 0.00 0.00 175.52 176.61 2ksq h THR 32 N 0.53 1.12 0.11 6.82 1.35 -1.84 -2.02 112.91 118.98 2ksq h THR 32 Ca 0.01 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.54 2ksq h THR 32 Cb 1.12 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2ksq h THR 32 CO 0.11 0.12 -0.05 0.58 -0.25 0.00 0.00 175.52 176.03 2ksq h VAL 33 N 0.32 1.09 -0.66 6.82 2.07 -1.50 -2.21 116.25 122.18 2ksq h VAL 33 Ca 0.10 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.84 2ksq h VAL 33 Cb 0.06 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2ksq h VAL 33 CO -0.02 0.20 0.44 0.25 0.02 0.00 0.00 177.57 178.46 2ksq h LEU 34 N -0.53 0.64 -0.23 2.57 6.46 -1.54 -1.74 115.31 120.95 2ksq h LEU 34 Ca -0.01 -0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.53 2ksq h LEU 34 Cb 0.43 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 2ksq h LEU 34 CO 0.02 0.43 -0.91 1.88 -0.62 0.00 0.00 178.44 179.25 2ksq h TYR 35 N 0.74 0.41 -0.14 1.25 0.05 -1.38 -1.85 116.97 116.05 2ksq h TYR 35 Ca 0.27 -0.23 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 2ksq h TYR 35 Cb 0.16 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 2ksq h TYR 35 CO -0.00 1.04 -0.11 -0.22 -1.05 0.00 0.00 178.16 177.82 2ksq h LYS 36 N 0.15 0.33 0.00 4.88 1.63 -0.79 0.42 116.57 123.19 2ksq h LYS 36 Ca -0.06 -0.16 -0.07 0.00 -0.85 0.00 0.00 60.65 59.51 2ksq h LYS 36 Cb 1.54 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.16 2ksq h LYS 36 CO 0.15 0.69 -0.34 1.25 -3.45 0.00 0.00 179.45 177.75 2ksq h LEU 37 N -0.03 0.00 0.11 5.20 6.46 -1.43 0.98 115.31 126.59 2ksq h LEU 37 Ca 0.03 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.57 2ksq h LEU 37 Cb 0.62 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 2ksq h LEU 37 CO 0.03 0.34 -1.05 0.50 -0.62 0.00 0.00 178.44 177.64 2ksq h LYS 38 N 0.00 0.22 0.00 1.25 1.63 -1.24 -3.38 116.57 115.05 2ksq h LYS 38 Ca -0.00 -0.38 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 2ksq h LYS 38 Cb 0.96 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 2ksq h LYS 38 CO 0.04 1.18 -1.20 -0.11 -3.45 0.00 0.00 179.45 175.92 2ksq n LEU 39 N -4.10 0.67 0.00 5.20 7.94 0.15 -4.98 117.00 121.88 2ksq n LEU 39 Ca -0.20 -0.36 0.00 0.00 -1.11 0.00 0.00 56.01 54.34 2ksq n LEU 39 Cb 0.82 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.77 2ksq n LEU 39 CO 0.42 0.17 0.00 0.61 -1.11 0.00 0.00 177.39 177.47 2ksq n GLY 40 N 1.43 1.76 2.94 -3.96 0.00 0.34 -4.99 105.19 102.71 2ksq n GLY 40 Ca 0.02 0.00 -0.12 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 -0.00 0.24 0.06 1.61 2.02 -1.23 -4.96 118.70 116.44 2ksq s GLU 41 Ca 0.00 -0.30 -0.30 0.00 0.02 0.00 0.00 54.97 54.38 2ksq s GLU 41 Cb 0.00 -0.09 -0.05 0.00 0.10 0.00 0.00 34.13 34.10 2ksq s GLU 41 CO 0.00 0.01 1.02 0.08 0.02 0.00 0.00 175.26 176.39 2ksq s VAL 42 N -0.61 4.54 0.44 2.63 1.01 -1.26 -4.22 120.40 122.93 2ksq s VAL 42 Ca -0.05 1.94 0.04 0.00 0.00 0.00 0.00 61.98 63.90 2ksq s VAL 42 Cb -0.04 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 2ksq s VAL 42 CO -0.00 0.21 0.02 0.27 0.00 0.00 0.00 175.10 175.60 2ksq s ILE 43 N 0.57 1.44 -0.16 2.22 -0.00 -1.26 -5.08 121.20 118.93 2ksq s ILE 43 Ca 0.51 -2.00 -0.29 0.00 -0.00 0.00 0.00 60.65 58.87 2ksq s ILE 43 Cb -0.24 -2.57 -0.04 0.00 -0.00 0.00 0.00 42.46 39.61 2ksq s ILE 43 CO 0.29 0.00 1.81 -0.89 -0.00 0.00 0.00 174.94 176.15 2ksq s THR 44 N -2.89 3.42 0.12 8.37 2.01 -1.26 -4.98 115.64 120.43 2ksq s THR 44 Ca 0.22 0.47 -0.05 0.00 0.31 0.00 0.00 61.69 62.64 2ksq s THR 44 Cb 0.06 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.09 2ksq s THR 44 CO 0.11 -0.17 0.36 0.42 -0.69 0.00 0.00 174.62 174.65 2ksq s THR 45 N 5.62 5.19 0.16 -0.82 -4.23 -1.26 -5.10 115.64 115.19 2ksq s THR 45 Ca 0.81 0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 61.26 2ksq s THR 45 Cb -0.30 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 69.91 2ksq s THR 45 CO 0.33 0.08 0.27 0.27 -0.54 0.00 0.00 174.62 175.03 2ksq s ILE 46 N -1.61 0.07 -0.19 2.99 -5.25 -1.26 -5.11 121.20 110.85 2ksq s ILE 46 Ca 0.39 -1.37 -0.31 0.00 -0.99 0.00 0.00 60.65 58.37 2ksq s ILE 46 Cb -0.12 -1.79 -0.08 0.00 2.95 0.00 0.00 42.46 43.42 2ksq s ILE 46 CO 0.24 -0.34 2.13 -2.65 -1.79 0.00 0.00 174.94 172.53 2ksq n PRO 47 N -0.20 1.96 -2.74 0.37 -0.02 -1.26 -4.92 135.00 128.19 2ksq n PRO 47 Ca -0.08 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 2ksq n PRO 47 Cb 0.63 -2.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.12 2ksq n PRO 47 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2ksq s THR 48 N 6.93 4.74 -0.98 3.45 2.01 -1.26 -4.97 115.64 125.55 2ksq s THR 48 Ca 1.00 1.88 -0.02 0.00 0.31 0.00 0.00 61.69 64.86 2ksq s THR 48 Cb -0.51 -4.25 0.30 0.00 0.01 0.00 0.00 72.50 68.06 2ksq s THR 48 CO 0.41 -0.13 1.34 -0.38 -0.69 0.00 0.00 174.62 175.17 2ksq n ILE 49 N 5.26 4.75 0.00 1.82 2.08 -1.26 -4.21 119.36 127.80 2ksq n ILE 49 Ca 0.10 -5.80 0.00 0.00 0.56 0.00 0.00 62.75 57.61 2ksq n ILE 49 Cb 0.47 -2.05 0.00 0.00 -0.75 0.00 0.00 39.64 37.30 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 1.14 -0.09 3.11 7.39 0.00 -1.26 -5.02 105.19 110.46 2ksq n GLY 50 Ca 0.28 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.58 0.68 -0.17 1.61 -0.71 -1.26 -0.14 117.98 116.41 2ksq s PHE 51 Ca 0.00 -0.82 -0.04 0.00 -1.04 0.00 0.00 56.93 55.03 2ksq s PHE 51 Cb 0.00 -0.43 0.08 0.00 -1.21 0.00 0.00 43.02 41.46 2ksq s PHE 51 CO 0.00 -0.20 0.20 1.21 -1.34 0.00 0.00 175.22 175.09 2ksq s ASN 52 N -2.53 1.21 0.33 1.98 3.04 0.10 -4.92 114.94 114.15 2ksq s ASN 52 Ca 0.03 -0.05 -0.17 0.00 0.04 0.00 0.00 52.86 52.72 2ksq s ASN 52 Cb 0.01 0.34 -0.09 0.00 -1.54 0.00 0.00 41.25 39.97 2ksq s ASN 52 CO -0.05 -0.30 0.78 0.54 -3.04 0.00 0.00 177.10 175.03 2ksq s VAL 53 N 2.31 4.61 -0.07 -5.21 0.11 -1.26 0.07 120.40 120.96 2ksq s VAL 53 Ca 0.05 1.10 -0.03 0.00 -2.93 0.00 0.00 61.98 60.17 2ksq s VAL 53 Cb -0.15 -3.64 0.04 0.00 -1.53 0.00 0.00 36.38 31.10 2ksq s VAL 53 CO -0.10 -0.17 0.06 -1.61 -3.33 0.00 0.00 175.10 169.96 2ksq s GLU 54 N -2.91 -0.02 -0.42 1.54 8.01 -0.67 -4.95 118.70 119.28 2ksq s GLU 54 Ca 0.54 0.28 -0.20 0.00 0.01 0.00 0.00 54.97 55.60 2ksq s GLU 54 Cb -0.11 -0.78 0.02 0.00 -4.31 0.00 0.00 34.13 28.95 2ksq s GLU 54 CO 0.17 -0.39 0.62 0.00 0.01 0.00 0.00 175.26 175.67 2ksq s VAL 56 N 2.74 1.58 -0.23 0.00 -7.23 -0.57 -5.01 120.40 111.68 2ksq s VAL 56 Ca 0.22 -0.84 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 2ksq s VAL 56 Cb -0.14 -1.32 -0.05 0.00 0.56 0.00 0.00 36.38 35.43 2ksq s VAL 56 CO 0.18 0.45 0.17 -1.10 -0.31 0.00 0.00 175.10 174.49 2ksq s GLN 57 N -0.39 4.10 -0.26 4.82 -1.52 -1.26 -0.58 119.66 124.56 2ksq s GLN 57 Ca 0.06 -0.22 -0.00 0.00 -1.95 0.00 0.00 55.36 53.24 2ksq s GLN 57 Cb -0.08 -3.52 0.08 0.00 -0.22 0.00 0.00 33.01 29.26 2ksq s GLN 57 CO -0.00 0.09 0.03 -0.47 -0.25 0.00 0.00 175.29 174.68 2ksq s TYR 58 N 0.98 1.94 0.00 0.91 5.04 -0.32 -4.97 117.35 120.93 2ksq s TYR 58 Ca 0.09 -1.63 0.00 0.00 -2.44 0.00 0.00 57.07 53.09 2ksq s TYR 58 Cb -0.13 -1.60 0.00 0.00 0.35 0.00 0.00 41.96 40.58 2ksq s TYR 58 CO 0.04 -0.78 0.00 0.00 -1.34 0.00 0.00 175.55 173.47 2ksq n ASN 60 N 3.75 0.16 -4.69 0.00 4.05 -1.26 -5.10 115.26 112.17 2ksq n ASN 60 Ca 0.00 -1.06 -0.25 0.00 0.45 0.00 0.00 54.58 53.72 2ksq n ASN 60 Cb 0.00 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 40.94 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 -0.06 3.84 -0.74 -1.44 1.09 -0.67 -4.77 121.20 118.45 2ksq s ILE 61 Ca 0.00 -1.46 -0.09 0.00 -1.10 0.00 0.00 60.65 58.00 2ksq s ILE 61 Cb 0.00 -2.97 0.19 0.00 -1.06 0.00 0.00 42.46 38.62 2ksq s ILE 61 CO 0.00 -0.18 0.62 -0.55 -0.10 0.00 0.00 174.94 174.74 2ksq s SER 62 N -3.17 6.07 -0.19 3.58 0.15 -0.76 -1.17 113.70 118.20 2ksq s SER 62 Ca 0.29 -2.78 -0.29 0.00 0.70 0.00 0.00 55.95 53.87 2ksq s SER 62 Cb -0.09 -2.05 -0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2ksq s SER 62 CO 0.20 -0.48 1.16 -0.36 1.20 0.00 0.00 173.24 174.96 2ksq s PHE 63 N 0.04 3.09 -0.35 3.44 0.40 0.25 -2.66 117.98 122.19 2ksq s PHE 63 Ca 0.18 1.23 -0.09 0.00 -0.60 0.00 0.00 56.93 57.64 2ksq s PHE 63 Cb -0.15 -3.39 0.02 0.00 0.51 0.00 0.00 43.02 40.01 2ksq s PHE 63 CO -0.06 -1.12 0.16 0.99 0.70 0.00 0.00 175.22 175.89 2ksq s THR 64 N 3.33 4.39 -0.38 0.64 2.01 -0.77 -1.51 115.64 123.34 2ksq s THR 64 Ca 0.50 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.66 2ksq s THR 64 Cb -0.19 -3.39 0.08 0.00 0.01 0.00 0.00 72.50 69.02 2ksq s THR 64 CO 0.11 -0.12 0.17 -0.69 -0.69 0.00 0.00 174.62 173.39 2ksq s VAL 65 N 1.54 3.59 -0.14 3.82 1.01 -0.69 0.10 120.40 129.64 2ksq s VAL 65 Ca 0.02 -1.59 -0.22 0.00 0.00 0.00 0.00 61.98 60.20 2ksq s VAL 65 Cb -0.18 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2ksq s VAL 65 CO 0.05 -0.45 0.65 0.26 0.00 0.00 0.00 175.10 175.61 2ksq s TRP 66 N 1.29 3.47 -0.38 5.22 0.52 -0.96 -1.66 118.94 126.44 2ksq s TRP 66 Ca 0.02 1.06 -0.06 0.00 0.02 0.00 0.00 56.10 57.14 2ksq s TRP 66 Cb -0.22 -2.78 0.07 0.00 -1.15 0.00 0.00 33.47 29.39 2ksq s TRP 66 CO -0.01 -0.04 0.18 0.34 0.02 0.00 0.00 176.95 177.45 2ksq s ASP 67 N 0.97 5.40 0.03 2.95 2.15 0.11 0.19 116.67 128.47 2ksq s ASP 67 Ca 0.32 -1.50 -0.11 0.00 0.43 0.00 0.00 52.55 51.69 2ksq s ASP 67 Cb -0.16 -1.90 -0.06 0.00 -0.30 0.00 0.00 42.92 40.50 2ksq s ASP 67 CO 0.13 -0.46 0.38 -0.69 -0.17 0.00 0.00 175.17 174.36 2ksq s VAL 68 N 1.34 5.11 0.26 1.11 1.01 -1.08 -0.72 120.40 127.44 2ksq s VAL 68 Ca 0.02 0.56 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 2ksq s VAL 68 Cb -0.22 -3.65 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 2ksq s VAL 68 CO 0.01 0.42 1.14 0.61 0.00 0.00 0.00 175.10 177.27 2ksq n GLY 69 N 1.31 0.08 0.17 4.51 0.00 0.80 -4.68 105.19 107.38 2ksq n GLY 69 Ca -0.11 0.40 0.12 0.00 0.00 0.00 0.00 46.02 46.42 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 2.70 0.00 -2.81 -0.02 0.00 -1.76 -3.39 103.07 97.79 2ksq h GLY 70 Ca -0.42 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.35 2ksq h GLY 70 CO 0.65 0.00 -0.89 -0.18 0.00 0.00 0.00 176.54 176.12 2ksq n GLN 71 N -2.90 0.08 0.07 4.80 0.00 -1.26 -4.00 117.38 114.17 2ksq n GLN 71 Ca 0.02 0.05 -0.13 0.00 -0.00 0.00 0.00 57.00 56.95 2ksq n GLN 71 Cb 0.54 -1.51 -0.07 0.00 0.00 0.00 0.00 30.24 29.20 2ksq n GLN 71 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 2ksq h ASP 72 N -0.65 -0.08 -0.28 1.69 1.82 -1.97 0.26 116.42 117.21 2ksq h ASP 72 Ca -0.44 0.00 0.08 0.00 -0.39 0.00 0.00 57.03 56.28 2ksq h ASP 72 Cb 1.34 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.36 2ksq h ASP 72 CO 0.37 -0.05 0.22 -0.09 -1.61 0.00 0.00 179.24 178.08 2ksq h ARG 73 N -0.09 0.00 0.00 0.28 1.12 -1.97 0.01 114.38 113.73 2ksq h ARG 73 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 2ksq h ARG 73 Cb 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 2ksq h ARG 73 CO 0.01 0.00 -1.03 -0.89 -3.11 0.00 0.00 179.97 174.95 2ksq n ILE 74 N -4.23 0.20 -0.35 1.20 5.41 -0.81 -4.30 119.36 116.47 2ksq n ILE 74 Ca 0.04 -0.27 0.15 0.00 1.00 0.00 0.00 62.75 63.67 2ksq n ILE 74 Cb 0.38 0.15 0.35 0.00 -0.71 0.00 0.00 39.64 39.82 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 0.65 -0.60 0.38 2.43 0.15 0.58 114.38 117.97 2ksq h ARG 75 Ca 0.00 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 2ksq h ARG 75 Cb 0.75 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 2ksq h ARG 75 CO 0.00 0.43 0.15 0.66 -1.51 0.00 0.00 179.97 179.70 2ksq h SER 76 N 0.67 0.86 0.00 -3.80 4.64 -1.75 -2.27 113.55 111.90 2ksq h SER 76 Ca 0.61 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2ksq h SER 76 Cb 1.06 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2ksq h SER 76 CO -0.43 0.83 0.03 -0.07 -0.87 0.00 0.00 176.83 176.32 2ksq h LEU 77 N 0.88 0.00 -0.62 5.97 4.07 -1.13 -2.87 115.31 121.61 2ksq h LEU 77 Ca 0.19 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.26 2ksq h LEU 77 Cb 0.30 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.96 2ksq h LEU 77 CO -0.00 0.00 0.19 -0.50 -1.08 0.00 0.00 178.44 177.05 2ksq h TRP 78 N 0.00 0.33 -0.47 1.13 6.55 -1.38 0.32 115.95 122.43 2ksq h TRP 78 Ca 0.00 0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.78 2ksq h TRP 78 Cb 0.06 -0.05 -0.06 0.00 -0.86 0.00 0.00 29.16 28.25 2ksq h TRP 78 CO 0.00 0.04 0.12 0.54 -1.05 0.00 0.00 178.44 178.09 2ksq n ARG 79 N -5.05 3.14 0.05 0.49 1.74 -1.08 -3.22 116.66 112.73 2ksq n ARG 79 Ca 0.10 -2.10 0.07 0.00 -0.77 0.00 0.00 57.85 55.15 2ksq n ARG 79 Cb 0.31 -1.96 -0.06 0.00 -1.02 0.00 0.00 32.46 29.74 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 0.13 0.77 -1.64 -1.55 -0.00 0.10 -4.75 115.22 108.29 2ksq n HIS 80 Ca 0.25 0.24 -0.02 0.00 0.46 0.00 0.00 57.72 58.65 2ksq n HIS 80 Cb 1.00 -0.93 -0.02 0.00 -0.12 0.00 0.00 29.99 29.93 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 -2.68 0.00 -0.62 1.57 0.18 -1.25 -5.00 117.16 109.36 2ksq n TYR 81 Ca -0.05 -0.14 -0.18 0.00 1.88 0.00 0.00 57.90 59.41 2ksq n TYR 81 Cb 0.67 0.32 0.09 0.00 -0.38 0.00 0.00 39.34 40.04 2ksq n TYR 81 CO 0.00 0.00 0.00 2.48 -2.08 0.00 0.00 176.86 177.26 2ksq n TYR 82 N 0.00 1.99 -2.66 -3.48 4.11 -1.20 -4.95 117.16 110.96 2ksq n TYR 82 Ca -0.08 -1.67 -0.26 0.00 -0.00 0.00 0.00 57.90 55.89 2ksq n TYR 82 Cb 0.37 -0.83 0.01 0.00 -0.00 0.00 0.00 39.34 38.89 2ksq n TYR 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2ksq n ASN 84 N -2.32 0.00 -4.70 0.00 2.85 -1.26 -5.00 115.26 104.82 2ksq n ASN 84 Ca 0.02 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.07 2ksq n ASN 84 Cb 0.57 -0.04 -0.03 0.00 1.24 0.00 0.00 39.78 41.52 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 -3.53 3.95 -0.07 -0.44 -4.23 -1.26 -4.58 115.64 105.48 2ksq s THR 85 Ca 0.00 1.36 0.14 0.00 -1.18 0.00 0.00 61.69 62.00 2ksq s THR 85 Cb 0.00 -3.87 -0.17 0.00 1.34 0.00 0.00 72.50 69.80 2ksq s THR 85 CO 0.00 0.05 0.84 -0.33 -0.54 0.00 0.00 174.62 174.64 2ksq h GLU 86 N 7.24 0.00 -2.76 3.99 4.39 0.02 -3.43 114.58 124.03 2ksq h GLU 86 Ca -0.39 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.18 2ksq h GLU 86 Cb 1.19 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.57 2ksq h GLU 86 CO 0.86 0.46 -0.33 0.20 -1.16 0.00 0.00 179.01 179.04 2ksq s GLY 87 N -4.90 -0.28 -0.23 -3.84 0.00 -0.71 -2.91 107.32 94.46 2ksq s GLY 87 Ca -0.03 1.31 -0.07 0.00 0.00 0.00 0.00 44.72 45.94 2ksq s GLY 87 CO 0.81 1.41 0.05 0.14 0.00 0.00 0.00 173.10 175.51 2ksq s VAL 88 N 1.07 4.24 -0.47 1.40 1.01 -0.39 -1.10 120.40 126.16 2ksq s VAL 88 Ca -0.07 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 2ksq s VAL 88 Cb -0.07 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.38 2ksq s VAL 88 CO -0.09 0.38 0.69 -0.63 0.00 0.00 0.00 175.10 175.45 2ksq s ILE 89 N 1.33 4.77 -0.18 2.22 1.01 0.28 0.61 121.20 131.25 2ksq s ILE 89 Ca 0.05 0.03 -0.18 0.00 0.00 0.00 0.00 60.65 60.54 2ksq s ILE 89 Cb -0.15 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 2ksq s ILE 89 CO 0.03 -0.71 0.52 0.12 0.00 0.00 0.00 174.94 174.89 2ksq s PHE 90 N 2.95 3.40 -0.27 3.97 5.36 0.36 -2.74 117.98 131.01 2ksq s PHE 90 Ca 0.23 0.81 -0.11 0.00 -0.96 0.00 0.00 56.93 56.89 2ksq s PHE 90 Cb -0.15 -2.65 -0.05 0.00 -0.34 0.00 0.00 43.02 39.83 2ksq s PHE 90 CO 0.18 -0.05 0.18 0.54 -1.46 0.00 0.00 175.22 174.61 2ksq s VAL 91 N 1.44 5.32 -0.13 3.12 0.11 -1.10 -1.47 120.40 127.69 2ksq s VAL 91 Ca 0.25 0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.48 2ksq s VAL 91 Cb -0.15 -3.52 0.02 0.00 -1.53 0.00 0.00 36.38 31.19 2ksq s VAL 91 CO 0.10 0.27 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.31 2ksq s VAL 92 N 1.58 1.53 0.18 2.04 1.01 -1.15 -4.25 120.40 121.34 2ksq s VAL 92 Ca 0.07 -0.64 -0.32 0.00 0.00 0.00 0.00 61.98 61.10 2ksq s VAL 92 Cb -0.15 -1.42 -0.11 0.00 0.00 0.00 0.00 36.38 34.69 2ksq s VAL 92 CO 0.09 0.45 1.74 1.51 0.00 0.00 0.00 175.10 178.89 2ksq s ASP 93 N 1.21 6.41 -0.07 3.32 1.47 -1.26 -1.24 116.67 126.52 2ksq s ASP 93 Ca -0.01 2.81 -0.00 0.00 1.18 0.00 0.00 52.55 56.53 2ksq s ASP 93 Cb -0.14 -2.59 -0.26 0.00 -0.34 0.00 0.00 42.92 39.59 2ksq s ASP 93 CO -0.06 -0.97 0.58 -1.28 0.68 0.00 0.00 175.17 174.12 2ksq h SER 94 N 7.31 0.29 0.08 2.11 0.87 -1.46 -3.35 113.55 119.41 2ksq h SER 94 Ca -0.44 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 59.55 2ksq h SER 94 Cb 1.21 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2ksq h SER 94 CO 0.95 1.51 -0.02 -3.20 -0.53 0.00 0.00 176.83 175.53 2ksq n ASN 95 N -3.35 0.59 -4.10 6.23 4.05 -1.26 -3.97 115.26 113.45 2ksq n ASN 95 Ca -0.24 -1.06 -0.37 0.00 0.45 0.00 0.00 54.58 53.36 2ksq n ASN 95 Cb 1.05 -0.02 -0.05 0.00 1.23 0.00 0.00 39.78 41.99 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 -0.61 4.55 0.21 1.20 -0.08 -1.26 -4.85 116.55 115.71 2ksq n ASP 96 Ca 0.20 -3.16 0.06 0.00 -1.51 0.00 0.00 54.79 50.38 2ksq n ASP 96 Cb 0.23 -1.10 0.44 0.00 2.34 0.00 0.00 41.12 43.03 2ksq n ASP 96 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2ksq h ARG 97 N 5.94 0.00 -0.40 -0.67 0.11 -1.86 -2.43 114.38 115.07 2ksq h ARG 97 Ca 0.17 0.00 0.05 0.00 0.10 0.00 0.00 59.98 60.31 2ksq h ARG 97 Cb 0.80 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.83 2ksq h ARG 97 CO 0.92 0.31 0.11 0.77 0.10 0.00 0.00 179.97 182.18 2ksq h SER 98 N 0.00 0.09 0.01 0.08 0.02 -1.98 -2.37 113.55 109.41 2ksq h SER 98 Ca -0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2ksq h SER 98 Cb 0.63 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2ksq h SER 98 CO 0.04 0.08 -0.10 0.54 -1.14 0.00 0.00 176.83 176.25 2ksq n ARG 99 N -5.05 1.73 -0.09 3.45 1.74 -1.18 -4.48 116.66 112.78 2ksq n ARG 99 Ca 0.02 -1.25 0.24 0.00 -0.77 0.00 0.00 57.85 56.09 2ksq n ARG 99 Cb 0.16 -1.47 0.53 0.00 -1.02 0.00 0.00 32.46 30.66 2ksq n ARG 99 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2ksq h ILE 100 N 3.06 0.11 0.03 0.55 1.08 -0.91 0.85 117.51 122.28 2ksq h ILE 100 Ca 0.00 0.00 -0.26 0.00 -0.39 0.00 0.00 64.86 64.21 2ksq h ILE 100 Cb 0.72 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.66 2ksq h ILE 100 CO 0.00 0.00 -1.33 1.23 -0.69 0.00 0.00 178.15 177.36 2ksq h GLY 101 N 0.00 0.08 1.30 5.37 0.00 -1.78 -3.01 103.07 105.02 2ksq h GLY 101 Ca 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 2ksq h GLY 101 CO -0.00 0.17 0.30 0.83 0.00 0.00 0.00 176.54 177.83 2ksq h GLU 102 N 0.02 0.91 -0.09 4.80 4.39 0.41 0.34 114.58 125.34 2ksq h GLU 102 Ca -0.15 -0.12 -0.22 0.00 0.34 0.00 0.00 59.36 59.21 2ksq h GLU 102 Cb 1.90 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 30.39 2ksq h GLU 102 CO 0.12 0.71 -0.82 0.00 -1.16 0.00 0.00 179.01 177.86 2ksq h ALA 103 N 1.43 0.37 0.04 3.43 0.00 -1.58 -1.19 119.26 121.75 2ksq h ALA 103 Ca 0.22 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2ksq h ALA 103 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ksq h ALA 103 CO -0.03 0.72 -0.02 -0.09 0.00 0.00 0.00 179.25 179.83 2ksq h ARG 104 N 0.41 -0.05 -0.38 0.00 1.12 -1.30 -2.70 114.38 111.48 2ksq h ARG 104 Ca -0.06 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.68 2ksq h ARG 104 Cb 1.44 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.40 2ksq h ARG 104 CO 0.16 0.41 -0.28 1.49 -3.11 0.00 0.00 179.97 178.64 2ksq h GLU 105 N -0.55 0.80 -0.43 0.20 4.57 -0.44 -2.87 114.58 115.87 2ksq h GLU 105 Ca -0.01 -0.36 -0.04 0.00 -1.18 0.00 0.00 59.36 57.77 2ksq h GLU 105 Cb 0.49 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 2ksq h GLU 105 CO 0.01 0.99 0.08 -0.24 -1.18 0.00 0.00 179.01 178.67 2ksq h VAL 106 N 0.69 1.20 -0.58 0.32 3.04 -1.29 -2.27 116.25 117.35 2ksq h VAL 106 Ca 0.08 -0.72 -0.03 0.00 -1.01 0.00 0.00 66.70 65.02 2ksq h VAL 106 Cb 0.82 0.78 -0.03 0.00 -2.01 0.00 0.00 31.29 30.85 2ksq h VAL 106 CO 0.07 0.26 0.25 -0.03 -1.01 0.00 0.00 177.57 177.11 2ksq h MET 107 N 0.62 0.86 -0.91 4.17 1.85 -1.31 -2.43 114.93 117.78 2ksq h MET 107 Ca 0.14 -0.15 0.13 0.00 -0.61 0.00 0.00 59.70 59.22 2ksq h MET 107 Cb 0.27 -0.14 -0.09 0.00 0.43 0.00 0.00 31.60 32.06 2ksq h MET 107 CO -0.00 0.73 0.53 1.96 -0.40 0.00 0.00 176.91 179.72 2ksq h GLN 108 N 0.80 0.77 -0.24 0.39 1.08 -1.20 0.44 115.11 117.14 2ksq h GLN 108 Ca 0.20 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.25 2ksq h GLN 108 Cb 0.18 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2ksq h GLN 108 CO -0.02 0.51 -0.28 0.00 -0.95 0.00 0.00 178.83 178.09 2ksq h ARG 109 N 0.79 0.47 -0.06 1.46 2.47 -1.32 0.80 114.38 118.99 2ksq h ARG 109 Ca 0.47 -0.18 -0.02 0.00 -1.26 0.00 0.00 59.98 58.99 2ksq h ARG 109 Cb 0.57 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.87 2ksq h ARG 109 CO -0.31 0.70 -0.05 0.52 0.56 0.00 0.00 179.97 181.39 2ksq h MET 110 N 0.41 0.13 0.00 0.04 2.86 -0.31 -3.09 114.93 114.97 2ksq h MET 110 Ca 0.06 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2ksq h MET 110 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 2ksq h MET 110 CO 0.05 0.57 0.00 1.47 1.06 0.00 0.00 176.91 180.06 2ksq n LEU 111 N -4.75 0.56 -0.30 1.22 -0.00 0.13 -2.77 117.00 111.08 2ksq n LEU 111 Ca -0.08 0.59 0.13 0.00 -0.00 0.00 0.00 56.01 56.66 2ksq n LEU 111 Cb 0.28 -0.46 0.39 0.00 -0.00 0.00 0.00 43.42 43.64 2ksq n LEU 111 CO 0.36 -0.31 0.69 0.59 -0.00 0.00 0.00 177.39 178.71 2ksq n ASN 112 N -2.07 1.15 -4.73 1.45 5.03 0.26 -4.79 115.26 111.56 2ksq n ASN 112 Ca 0.04 -1.02 -0.40 0.00 0.87 0.00 0.00 54.58 54.07 2ksq n ASN 112 Cb 0.31 0.12 -0.05 0.00 -1.02 0.00 0.00 39.78 39.14 2ksq n ASN 112 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2ksq s GLU 113 N -2.40 4.48 0.39 3.52 2.56 -1.12 -4.94 118.70 121.19 2ksq s GLU 113 Ca 0.27 1.04 0.11 0.00 0.00 0.00 0.00 54.97 56.39 2ksq s GLU 113 Cb 0.20 -3.41 0.79 0.00 2.00 0.00 0.00 34.13 33.71 2ksq s GLU 113 CO 0.49 0.16 1.90 0.22 -0.56 0.00 0.00 175.26 177.46 2ksq h ASP 114 N 6.20 0.14 0.68 -1.70 3.58 -1.90 -1.56 116.42 121.87 2ksq h ASP 114 Ca -0.42 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2ksq h ASP 114 Cb 1.20 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2ksq h ASP 114 CO 0.73 0.36 0.00 -0.08 -2.88 0.00 0.00 179.24 177.37 2ksq h GLU 115 N 0.14 0.00 0.00 0.28 4.81 -1.95 -3.00 114.58 114.87 2ksq h GLU 115 Ca 0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2ksq h GLU 115 Cb 0.45 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 2ksq h GLU 115 CO 0.03 0.00 -0.35 -0.11 -0.73 0.00 0.00 179.01 177.85 2ksq n LEU 116 N -2.39 1.43 0.00 1.64 7.94 -0.70 -4.75 117.00 120.17 2ksq n LEU 116 Ca 0.01 -2.35 0.12 0.00 -1.11 0.00 0.00 56.01 52.69 2ksq n LEU 116 Cb 0.22 -0.25 0.68 0.00 0.53 0.00 0.00 43.42 44.60 2ksq n LEU 116 CO 0.20 0.62 0.92 0.00 -1.11 0.00 0.00 177.39 178.01 2ksq n ASN 118 N -1.15 1.33 -4.89 0.00 0.23 -1.26 -5.01 115.26 104.50 2ksq n ASN 118 Ca 0.15 -1.17 -0.32 0.00 -0.53 0.00 0.00 54.58 52.72 2ksq n ASN 118 Cb 0.14 0.25 -0.05 0.00 -2.08 0.00 0.00 39.78 38.05 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ksq s ALA 119 N -0.92 3.73 0.90 -2.53 0.00 -1.11 -4.94 121.76 116.89 2ksq s ALA 119 Ca 0.08 -0.48 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 2ksq s ALA 119 Cb 0.06 -2.21 0.14 0.00 0.00 0.00 0.00 23.12 21.11 2ksq s ALA 119 CO 0.15 0.63 1.23 0.00 0.00 0.00 0.00 175.76 177.76 2ksq s ALA 120 N -1.68 2.30 -0.41 0.00 0.00 -1.15 -4.82 121.76 116.00 2ksq s ALA 120 Ca 0.42 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.55 2ksq s ALA 120 Cb -0.12 -2.89 0.17 0.00 0.00 0.00 0.00 23.12 20.27 2ksq s ALA 120 CO 0.23 -2.13 0.38 -1.58 0.00 0.00 0.00 175.76 172.66 2ksq s TRP 121 N -3.64 0.47 -0.35 0.00 0.52 -1.08 -1.26 118.94 113.59 2ksq s TRP 121 Ca 0.67 -1.79 -0.23 0.00 0.02 0.00 0.00 56.10 54.78 2ksq s TRP 121 Cb -0.09 -0.67 0.01 0.00 -1.15 0.00 0.00 33.47 31.57 2ksq s TRP 121 CO 0.51 -0.91 0.75 -1.17 0.02 0.00 0.00 176.95 176.15 2ksq s LEU 122 N 0.49 4.15 -0.03 2.99 0.20 0.20 -2.92 118.68 123.77 2ksq s LEU 122 Ca 0.28 0.37 -0.13 0.00 0.69 0.00 0.00 54.13 55.35 2ksq s LEU 122 Cb -0.03 -2.98 -0.05 0.00 -0.43 0.00 0.00 46.19 42.70 2ksq s LEU 122 CO -0.13 -0.67 0.34 -0.69 -0.29 0.00 0.00 176.35 174.91 2ksq s VAL 123 N 2.98 5.16 -0.22 1.68 1.01 0.32 0.13 120.40 131.46 2ksq s VAL 123 Ca 0.30 0.66 -0.03 0.00 0.00 0.00 0.00 61.98 62.91 2ksq s VAL 123 Cb -0.14 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.69 2ksq s VAL 123 CO 0.16 0.58 0.07 -0.36 0.00 0.00 0.00 175.10 175.55 2ksq s PHE 124 N -1.07 0.88 -0.38 5.22 0.08 -0.54 -0.75 117.98 121.41 2ksq s PHE 124 Ca 0.22 -0.88 -0.28 0.00 0.12 0.00 0.00 56.93 56.11 2ksq s PHE 124 Cb -0.15 -1.04 -0.03 0.00 -0.57 0.00 0.00 43.02 41.22 2ksq s PHE 124 CO 0.11 -0.66 1.97 0.00 -0.10 0.00 0.00 175.22 176.55 2ksq s ALA 125 N 1.91 2.55 0.81 5.36 0.00 0.28 -2.93 121.76 129.73 2ksq s ALA 125 Ca 0.02 0.17 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 2ksq s ALA 125 Cb -0.17 -4.12 0.10 0.00 0.00 0.00 0.00 23.12 18.93 2ksq s ALA 125 CO -0.14 -3.13 1.15 -0.80 0.00 0.00 0.00 175.76 172.84 2ksq s ASN 126 N 7.70 4.27 -1.38 0.00 -0.87 -0.37 -1.93 114.94 122.35 2ksq s ASN 126 Ca 0.84 0.50 0.00 0.00 -1.57 0.00 0.00 52.86 52.63 2ksq s ASN 126 Cb -0.22 -0.93 0.00 0.00 -0.02 0.00 0.00 41.25 40.08 2ksq s ASN 126 CO 0.31 -2.00 0.00 0.29 -2.57 0.00 0.00 177.10 173.13 2ksq n LYS 127 N -3.27 -1.15 0.26 -0.60 5.02 -1.26 -1.20 118.16 115.96 2ksq n LYS 127 Ca 0.10 0.94 0.11 0.00 -2.02 0.00 0.00 58.31 57.43 2ksq n LYS 127 Cb 0.60 -5.09 0.70 0.00 -0.02 0.00 0.00 35.03 31.22 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 0.04 0.00 0.00 1.97 1.08 -1.69 -1.91 115.11 114.60 2ksq h GLN 128 Ca -0.27 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.90 2ksq h GLN 128 Cb 0.97 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.40 2ksq h GLN 128 CO 0.39 0.10 -0.15 0.38 -0.95 0.00 0.00 178.83 178.60 2ksq h ASP 129 N 0.00 0.00 -3.08 1.46 2.03 -1.89 -3.42 116.42 111.51 2ksq h ASP 129 Ca -0.00 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.77 2ksq h ASP 129 Cb 0.23 0.00 0.07 0.00 -0.83 0.00 0.00 39.33 38.80 2ksq h ASP 129 CO 0.01 0.15 0.94 -0.76 -1.03 0.00 0.00 179.24 178.55 2ksq s LEU 130 N -7.02 4.35 0.51 0.15 2.01 -0.72 -4.86 118.68 113.10 2ksq s LEU 130 Ca -0.02 2.93 0.31 0.00 0.01 0.00 0.00 54.13 57.36 2ksq s LEU 130 Cb 0.12 -3.62 1.43 0.00 0.01 0.00 0.00 46.19 44.12 2ksq s LEU 130 CO 0.60 -0.94 1.83 -0.65 1.01 0.00 0.00 176.35 178.20 2ksq h PRO 131 N 5.57 0.09 -0.80 1.29 0.11 -1.89 0.63 132.00 136.99 2ksq h PRO 131 Ca -0.46 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.41 2ksq h PRO 131 Cb 1.21 -0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.16 2ksq h PRO 131 CO 0.85 0.06 0.31 -0.85 -0.21 0.00 0.00 178.00 178.16 2ksq n GLU 132 N -4.31 3.43 -2.13 1.05 0.00 -1.26 -4.97 120.64 112.46 2ksq n GLU 132 Ca 0.23 -2.89 -0.42 0.00 0.00 0.00 0.00 57.16 54.08 2ksq n GLU 132 Cb 1.05 -2.16 -0.03 0.00 0.00 0.00 0.00 31.44 30.30 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ksq s ALA 133 N -2.87 3.62 1.11 -1.84 0.00 0.22 -4.73 121.76 117.28 2ksq s ALA 133 Ca 0.52 1.16 -0.15 0.00 0.00 0.00 0.00 51.96 53.49 2ksq s ALA 133 Cb 0.42 -3.55 0.25 0.00 0.00 0.00 0.00 23.12 20.23 2ksq s ALA 133 CO 0.13 -0.64 1.07 1.41 0.00 0.00 0.00 175.76 177.72 2ksq s MET 134 N 1.13 -0.48 0.46 0.00 1.75 -1.26 -4.99 119.30 115.92 2ksq s MET 134 Ca 0.65 0.41 -0.01 0.00 -1.25 0.00 0.00 55.69 55.49 2ksq s MET 134 Cb -0.38 -1.64 -0.01 0.00 2.84 0.00 0.00 34.83 35.64 2ksq s MET 134 CO 0.30 -3.32 0.70 -1.12 -0.65 0.00 0.00 175.02 170.94 2ksq s SER 135 N -3.34 5.88 0.20 1.11 0.01 -1.26 -4.96 113.70 111.34 2ksq s SER 135 Ca 0.67 0.42 -0.07 0.00 1.31 0.00 0.00 55.95 58.29 2ksq s SER 135 Cb -0.18 -1.67 0.12 0.00 0.21 0.00 0.00 66.02 64.50 2ksq s SER 135 CO 0.59 -0.70 1.63 0.00 0.41 0.00 0.00 173.24 175.17 2ksq h ALA 136 N 0.33 0.85 -0.40 1.44 0.00 -2.00 -2.90 119.26 116.59 2ksq h ALA 136 Ca -0.46 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.12 2ksq h ALA 136 Cb 1.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2ksq h ALA 136 CO 0.59 0.65 0.26 0.00 0.00 0.00 0.00 179.25 180.75 2ksq h ALA 137 N 1.02 1.79 -0.00 0.00 0.00 -1.99 -1.28 119.26 118.80 2ksq h ALA 137 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2ksq h ALA 137 Cb 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2ksq h ALA 137 CO 0.04 0.17 -0.11 0.93 0.00 0.00 0.00 179.25 180.29 2ksq h GLU 138 N 0.47 0.08 -0.68 0.00 4.39 -1.92 -2.11 114.58 114.81 2ksq h GLU 138 Ca 0.15 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.79 2ksq h GLU 138 Cb 0.04 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 2ksq h GLU 138 CO -0.04 0.83 0.43 0.82 -1.16 0.00 0.00 179.01 179.90 2ksq h ILE 139 N -0.64 1.12 0.00 3.13 1.08 -1.33 -1.71 117.51 119.17 2ksq h ILE 139 Ca -0.01 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 2ksq h ILE 139 Cb 0.87 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2ksq h ILE 139 CO 0.02 0.16 -0.00 0.74 -0.69 0.00 0.00 178.15 178.38 2ksq h THR 140 N 0.86 1.19 0.25 -0.27 2.02 -1.33 -2.54 112.91 113.10 2ksq h THR 140 Ca 0.26 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2ksq h THR 140 Cb -0.03 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 2ksq h THR 140 CO -0.09 0.15 -0.27 -0.33 0.37 0.00 0.00 175.52 175.35 2ksq h GLU 141 N -0.25 -0.54 -0.40 6.66 5.08 -1.21 -2.03 114.58 121.89 2ksq h GLU 141 Ca -0.00 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.51 2ksq h GLU 141 Cb 0.25 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2ksq h GLU 141 CO 0.00 -0.36 0.29 -0.22 -1.00 0.00 0.00 179.01 177.72 2ksq h LYS 142 N -0.56 0.00 -0.01 2.33 3.64 -1.36 0.29 116.57 120.90 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 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2ksq h LYS 142 CO -0.07 0.00 -0.01 1.28 -2.27 0.00 0.00 179.45 178.38 2ksq n LEU 143 N -4.38 0.68 -3.62 5.20 4.77 -0.82 -4.92 117.00 113.92 2ksq n LEU 143 Ca 0.06 -0.21 -0.24 0.00 -0.03 0.00 0.00 56.01 55.59 2ksq n LEU 143 Cb 0.48 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.63 2ksq n LEU 143 CO 0.36 0.11 0.24 0.61 -1.33 0.00 0.00 177.39 177.38 2ksq n GLY 144 N 1.10 -0.54 0.35 -0.72 0.00 0.10 -4.89 105.19 100.59 2ksq n GLY 144 Ca 0.21 0.25 -0.03 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.66 1.03 -1.39 0.99 5.85 -1.62 -2.46 115.31 115.06 2ksq h LEU 145 Ca -0.57 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.01 2ksq h LEU 145 Cb 1.37 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 2ksq h LEU 145 CO 0.57 0.85 -0.15 0.45 -0.34 0.00 0.00 178.44 179.82 2ksq h HIS 146 N 1.14 0.00 -0.01 1.25 3.86 -1.90 -2.84 115.15 116.64 2ksq h HIS 146 Ca 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2ksq h HIS 146 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2ksq h HIS 146 CO 0.01 0.15 -0.25 0.45 0.86 0.00 0.00 177.93 179.16 2ksq n SER 147 N -3.36 1.74 -4.35 2.45 2.88 -0.95 -4.83 113.62 107.20 2ksq n SER 147 Ca -0.00 -1.37 -0.40 0.00 -1.33 0.00 0.00 58.87 55.77 2ksq n SER 147 Cb 0.36 0.20 -0.11 0.00 -0.75 0.00 0.00 64.21 63.91 2ksq n SER 147 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2ksq s ILE 148 N -2.33 4.38 -0.06 2.46 -4.36 -1.04 -4.89 121.20 115.37 2ksq s ILE 148 Ca 0.25 -0.91 0.20 0.00 -0.26 0.00 0.00 60.65 59.93 2ksq s ILE 148 Cb 0.19 -3.45 0.39 0.00 1.25 0.00 0.00 42.46 40.85 2ksq s ILE 148 CO 0.47 -0.21 1.17 -1.14 0.24 0.00 0.00 174.94 175.47 2ksq n ARG 149 N 4.95 0.44 -0.00 0.37 0.63 -1.26 -4.77 116.66 117.02 2ksq n ARG 149 Ca -0.12 -2.27 0.07 0.00 -0.92 0.00 0.00 57.85 54.61 2ksq n ARG 149 Cb 0.46 -0.50 -0.08 0.00 0.45 0.00 0.00 32.46 32.79 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 -0.01 0.72 -3.75 6.15 2.85 -1.26 -4.98 115.26 114.98 2ksq n ASN 150 Ca 0.09 -0.83 -0.13 0.00 -0.11 0.00 0.00 54.58 53.61 2ksq n ASN 150 Cb 0.98 1.02 -0.10 0.00 1.24 0.00 0.00 39.78 42.92 2ksq n ASN 150 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2ksq s ARG 151 N -2.41 0.44 -0.62 1.20 6.06 -1.26 -5.11 118.95 117.26 2ksq s ARG 151 Ca 0.05 0.49 -0.26 0.00 -2.50 0.00 0.00 55.73 53.52 2ksq s ARG 151 Cb 0.11 0.22 -0.04 0.00 0.06 0.00 0.00 34.95 35.30 2ksq s ARG 151 CO 0.61 -0.06 2.00 -1.25 -2.50 0.00 0.00 175.30 174.10 2ksq s PRO 152 N 0.15 2.47 0.03 5.12 0.04 -1.26 -4.95 135.00 136.60 2ksq s PRO 152 Ca -0.00 0.70 0.04 0.00 0.04 0.00 0.00 61.00 61.78 2ksq s PRO 152 Cb -0.03 -4.50 -0.02 0.00 0.04 0.00 0.00 34.50 29.99 2ksq s PRO 152 CO 0.01 -2.96 -0.13 1.67 0.04 0.00 0.00 177.00 175.63 2ksq s TRP 153 N 10.02 1.14 0.03 0.56 -2.14 -1.26 -2.65 118.94 124.65 2ksq s TRP 153 Ca 0.75 -0.33 0.00 0.00 2.66 0.00 0.00 56.10 59.18 2ksq s TRP 153 Cb -0.13 -0.69 -0.03 0.00 -3.10 0.00 0.00 33.47 29.53 2ksq s TRP 153 CO 0.20 0.02 -0.04 -0.06 -2.66 0.00 0.00 176.95 174.40 2ksq s PHE 154 N -0.77 0.42 -0.09 1.66 0.08 -1.15 -4.98 117.98 113.14 2ksq s PHE 154 Ca 0.01 -0.64 0.03 0.00 0.12 0.00 0.00 56.93 56.45 2ksq s PHE 154 Cb -0.07 -0.28 -0.01 0.00 -0.57 0.00 0.00 43.02 42.08 2ksq s PHE 154 CO 0.01 -0.20 -0.19 -1.50 -0.10 0.00 0.00 175.22 173.24 2ksq s ILE 155 N -1.99 2.52 -0.03 0.64 2.07 -1.25 0.12 121.20 123.28 2ksq s ILE 155 Ca -0.09 -0.87 0.02 0.00 -1.41 0.00 0.00 60.65 58.29 2ksq s ILE 155 Cb -0.06 -1.99 0.01 0.00 0.13 0.00 0.00 42.46 40.55 2ksq s ILE 155 CO -0.02 0.55 -0.07 -1.10 -1.91 0.00 0.00 174.94 172.39 2ksq s GLN 156 N 0.09 0.85 -0.37 3.50 -1.52 0.07 -4.97 119.66 117.30 2ksq s GLN 156 Ca -0.09 -0.23 -0.23 0.00 -1.95 0.00 0.00 55.36 52.86 2ksq s GLN 156 Cb -0.15 -0.81 0.01 0.00 -0.22 0.00 0.00 33.01 31.84 2ksq s GLN 156 CO 0.06 0.06 0.79 0.00 -0.25 0.00 0.00 175.29 175.95 2ksq s ALA 157 N 0.35 3.42 0.25 6.09 0.00 -1.26 0.99 121.76 131.60 2ksq s ALA 157 Ca -0.05 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.28 2ksq s ALA 157 Cb -0.09 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 2ksq s ALA 157 CO 0.00 -1.52 0.03 -0.08 0.00 0.00 0.00 175.76 174.19 2ksq s THR 158 N 3.14 0.95 -0.28 0.00 -1.32 -0.81 -4.83 115.64 112.48 2ksq s THR 158 Ca 0.32 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.78 2ksq s THR 158 Cb -0.13 -2.49 0.09 0.00 -1.51 0.00 0.00 72.50 68.45 2ksq s THR 158 CO 0.17 -0.19 0.05 0.00 -2.21 0.00 0.00 174.62 172.44 2ksq h ALA 160 N 8.00 0.84 -0.94 0.00 0.00 -1.92 0.94 119.26 126.17 2ksq h ALA 160 Ca -0.13 -0.41 0.22 0.00 0.00 0.00 0.00 54.91 54.59 2ksq h ALA 160 Cb 1.04 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 2ksq h ALA 160 CO 0.45 0.64 0.62 1.79 0.00 0.00 0.00 179.25 182.75 2ksq h THR 161 N 0.58 0.64 0.00 0.00 1.35 -1.94 -2.90 112.91 110.65 2ksq h THR 161 Ca 0.07 -0.14 -0.29 0.00 -0.55 0.00 0.00 66.41 65.49 2ksq h THR 161 Cb 0.83 0.20 -0.05 0.00 -1.73 0.00 0.00 68.15 67.39 2ksq h THR 161 CO 0.07 0.08 -2.11 -1.20 -0.25 0.00 0.00 175.52 172.10 2ksq n SER 162 N -4.53 2.46 0.00 5.36 7.64 -1.13 -4.68 113.62 118.73 2ksq n SER 162 Ca 0.21 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2ksq n SER 162 Cb 0.74 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 2.56 0.84 3.76 0.23 0.00 0.32 -4.93 105.19 107.97 2ksq n GLY 163 Ca -0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 2ksq n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ksq s GLU 164 N -0.67 4.46 0.00 1.61 2.02 -1.04 -2.87 118.70 122.20 2ksq s GLU 164 Ca 0.00 2.05 0.00 0.00 0.02 0.00 0.00 54.97 57.04 2ksq s GLU 164 Cb 0.00 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.10 2ksq s GLU 164 CO 0.00 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.63 2ksq n GLY 165 N 1.15 2.77 0.24 -1.39 0.00 -1.26 -2.28 105.19 104.42 2ksq n GLY 165 Ca 0.00 0.00 -0.11 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 0.80 -0.32 0.99 4.07 -1.87 -2.90 115.31 116.08 2ksq h LEU 166 Ca 0.00 -0.34 -0.02 0.00 0.08 0.00 0.00 57.88 57.60 2ksq h LEU 166 Cb 0.00 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 2ksq h LEU 166 CO 0.00 0.96 0.11 1.88 -1.08 0.00 0.00 178.44 180.31 2ksq h TYR 167 N 0.64 0.51 -0.79 1.13 -1.99 -1.90 -2.87 116.97 111.69 2ksq h TYR 167 Ca 0.12 -0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.84 2ksq h TYR 167 Cb 0.58 -0.15 -0.05 0.00 2.00 0.00 0.00 36.73 39.11 2ksq h TYR 167 CO 0.05 0.50 0.52 1.05 -0.00 0.00 0.00 178.16 180.27 2ksq h GLU 168 N 0.37 0.91 -0.65 4.88 4.11 -1.95 -2.31 114.58 119.93 2ksq h GLU 168 Ca 0.11 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.48 2ksq h GLU 168 Cb 0.22 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2ksq h GLU 168 CO -0.01 0.60 0.39 0.78 0.07 0.00 0.00 179.01 180.84 2ksq h GLY 169 N 0.93 0.95 2.00 1.06 0.00 -1.30 -1.82 103.07 104.90 2ksq h GLY 169 Ca 0.32 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 2ksq h GLY 169 CO -0.10 0.39 -0.19 -2.00 0.00 0.00 0.00 176.54 174.64 2ksq h LEU 170 N 0.89 0.00 -0.13 3.11 5.85 -1.30 -2.71 115.31 121.02 2ksq h LEU 170 Ca 0.23 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.72 2ksq h LEU 170 Cb -0.02 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.02 2ksq h LEU 170 CO -0.04 0.19 -0.93 -0.08 -0.34 0.00 0.00 178.44 177.24 2ksq h GLU 171 N 0.00 0.61 -0.23 1.25 4.22 -1.05 -2.95 114.58 116.43 2ksq h GLU 171 Ca -0.00 -0.60 -0.02 0.00 0.08 0.00 0.00 59.36 58.81 2ksq h GLU 171 Cb 0.38 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2ksq h GLU 171 CO 0.02 1.21 0.06 -1.49 -2.18 0.00 0.00 179.01 176.64 2ksq h TRP 172 N 0.37 0.38 0.19 0.92 -0.00 -1.06 -2.73 115.95 114.02 2ksq h TRP 172 Ca -0.09 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.89 58.75 2ksq h TRP 172 Cb 1.56 -0.11 0.00 0.00 -0.00 0.00 0.00 29.16 30.62 2ksq h TRP 172 CO 0.08 0.46 -0.09 1.25 -0.00 0.00 0.00 178.44 180.14 2ksq h LEU 173 N 0.19 -0.21 -1.86 -4.49 6.46 -1.59 -2.54 115.31 111.27 2ksq h LEU 173 Ca 0.07 0.00 0.17 0.00 -0.12 0.00 0.00 57.88 58.00 2ksq h LEU 173 Cb 0.27 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 2ksq h LEU 173 CO 0.00 -0.15 0.46 -1.28 -0.62 0.00 0.00 178.44 176.86 2ksq h SER 174 N -0.26 0.13 0.51 1.25 0.87 -1.51 -0.36 113.55 114.18 2ksq h SER 174 Ca -0.03 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.36 2ksq h SER 174 Cb 0.20 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2ksq h SER 174 CO 0.04 0.06 -0.78 0.78 -0.53 0.00 0.00 176.83 176.41 2ksq h ASN 175 N 0.14 0.25 0.28 6.23 2.35 -1.14 -2.77 115.58 120.92 2ksq h ASN 175 Ca 0.32 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 2ksq h ASN 175 Cb 1.07 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 2ksq h ASN 175 CO -0.04 0.93 -0.30 0.00 -1.65 0.00 0.00 177.43 176.37 2ksq h LEU 177 N 0.02 0.00 1.51 0.00 -0.00 -1.58 -3.48 115.31 111.79 2ksq h LEU 177 Ca 0.00 -0.14 -0.29 0.00 -0.00 0.00 0.00 57.88 57.45 2ksq h LEU 177 Cb 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.16 2ksq h LEU 177 CO 0.04 0.92 -0.41 1.17 -0.00 0.00 0.00 178.44 180.15 2ksq n LYS 178 N -4.59 -2.89 -2.43 1.13 4.81 -1.05 -3.67 118.16 109.48 2ksq n LYS 178 Ca -0.13 0.49 -0.03 0.00 -0.87 0.00 0.00 58.31 57.78 2ksq n LYS 178 Cb 0.35 -5.14 -0.02 0.00 0.02 0.00 0.00 35.03 30.23 2ksq n LYS 178 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2ksq n ASN 179 N -2.03 -4.63 -3.30 3.14 3.02 -1.26 -5.07 115.26 105.13 2ksq n ASN 179 Ca -0.07 1.54 0.03 0.00 -0.03 0.00 0.00 54.58 56.04 2ksq n ASN 179 Cb 0.57 -5.08 -0.02 0.00 -0.61 0.00 0.00 39.78 34.64 2ksq n ASN 179 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2ksq s SER 180 N -0.61 -1.14 0.00 6.41 0.01 -1.24 -5.23 113.70 111.90 2ksq s SER 180 Ca -0.15 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.10 2ksq s SER 180 Cb 0.01 2.07 0.00 0.00 0.21 0.00 0.00 66.02 68.31 2ksq s SER 180 CO 0.40 -0.22 0.18 0.35 0.41 0.00 0.00 173.24 174.36