#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 0.25 -0.42 0.99 4.07 -2.06 -2.78 115.31 115.36 2ksq h LEU 3 Ca 0.00 -0.47 -0.05 0.00 0.08 0.00 0.00 57.88 57.44 2ksq h LEU 3 Cb 0.00 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 2ksq h LEU 3 CO 0.00 0.67 0.07 0.15 -1.08 0.00 0.00 178.44 178.24 2ksq h PHE 4 N -0.17 0.75 0.39 1.13 3.04 -2.06 -2.87 116.94 117.15 2ksq h PHE 4 Ca 0.02 -0.11 -0.00 0.00 3.98 0.00 0.00 57.97 61.86 2ksq h PHE 4 Cb 0.59 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.87 2ksq h PHE 4 CO 0.08 0.72 -0.44 0.00 -2.02 0.00 0.00 178.31 176.66 2ksq h ALA 5 N 0.93 -0.95 -0.51 2.41 0.00 -2.00 -0.52 119.26 118.63 2ksq h ALA 5 Ca 0.13 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.04 2ksq h ALA 5 Cb 0.38 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2ksq h ALA 5 CO 0.01 -1.08 0.42 0.77 0.00 0.00 0.00 179.25 179.37 2ksq h SER 6 N -0.86 0.00 0.04 0.00 0.02 -1.52 -0.20 113.55 111.03 2ksq h SER 6 Ca -0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2ksq h SER 6 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2ksq h SER 6 CO -0.10 0.00 -0.02 0.11 -1.14 0.00 0.00 176.83 175.68 2ksq h LYS 7 N 0.00 -0.05 -0.20 3.45 1.79 -1.09 -2.03 116.57 118.43 2ksq h LYS 7 Ca 0.24 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.77 2ksq h LYS 7 Cb 1.08 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 2ksq h LYS 7 CO -0.00 0.58 0.14 1.25 -1.08 0.00 0.00 179.45 180.34 2ksq h LEU 8 N -0.75 0.01 -0.23 2.94 6.46 0.04 -0.25 115.31 123.53 2ksq h LEU 8 Ca -0.01 -0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.56 2ksq h LEU 8 Cb 0.65 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 2ksq h LEU 8 CO 0.01 0.01 -0.90 0.15 -0.62 0.00 0.00 178.44 177.09 2ksq h PHE 9 N 0.01 0.11 -0.30 1.25 3.04 -1.07 -3.27 116.94 116.72 2ksq h PHE 9 Ca 0.09 -0.07 -0.06 0.00 3.98 0.00 0.00 57.97 61.91 2ksq h PHE 9 Cb 0.36 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.84 2ksq h PHE 9 CO -0.00 0.93 -0.09 0.66 -2.02 0.00 0.00 178.31 177.79 2ksq h SER 10 N 0.03 0.47 0.39 0.41 4.64 -0.28 -2.50 113.55 116.72 2ksq h SER 10 Ca -0.03 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 2ksq h SER 10 Cb 1.57 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.53 2ksq h SER 10 CO 0.13 0.60 -0.11 -0.55 -0.87 0.00 0.00 176.83 176.03 2ksq h ASN 11 N 0.46 0.00 -0.90 4.97 7.08 -1.56 -1.58 115.58 124.06 2ksq h ASN 11 Ca 0.09 0.00 0.14 0.00 -3.08 0.00 0.00 56.30 53.45 2ksq h ASN 11 Cb 0.44 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 36.59 2ksq h ASN 11 CO 0.02 0.11 0.51 0.25 -2.08 0.00 0.00 177.43 176.24 2ksq h LEU 12 N 0.00 0.67 -3.32 6.14 6.46 -1.59 -1.48 115.31 122.20 2ksq h LEU 12 Ca -0.00 0.08 -0.12 0.00 -0.12 0.00 0.00 57.88 57.72 2ksq h LEU 12 Cb 0.33 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 40.15 2ksq h LEU 12 CO 0.01 0.31 -0.03 2.22 -0.62 0.00 0.00 178.44 180.33 2ksq n PHE 13 N -4.78 1.04 -1.86 1.25 1.16 -1.09 -4.94 117.46 108.24 2ksq n PHE 13 Ca 0.18 -1.33 -0.12 0.00 -1.87 0.00 0.00 57.45 54.31 2ksq n PHE 13 Cb 0.42 -0.43 -0.03 0.00 -1.61 0.00 0.00 39.48 37.83 2ksq n PHE 13 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2ksq n GLY 14 N -0.93 0.36 1.44 4.97 0.00 -0.56 -4.60 105.19 105.87 2ksq n GLY 14 Ca 0.29 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.50 2ksq n GLY 14 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ksq n ASN 15 N -1.01 -8.58 -0.61 1.61 4.13 -0.61 -4.58 115.26 105.60 2ksq n ASN 15 Ca -0.13 0.78 0.07 0.00 1.68 0.00 0.00 54.58 56.98 2ksq n ASN 15 Cb 0.49 -4.48 0.21 0.00 -1.54 0.00 0.00 39.78 34.45 2ksq n ASN 15 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 2ksq n LYS 16 N -4.26 2.12 -3.68 3.52 2.85 -1.26 -4.96 118.16 112.49 2ksq n LYS 16 Ca -0.01 -2.81 -0.13 0.00 -1.05 0.00 0.00 58.31 54.31 2ksq n LYS 16 Cb 0.66 -1.71 -0.13 0.00 -0.65 0.00 0.00 35.03 33.21 2ksq n LYS 16 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2ksq s GLU 17 N -2.92 0.19 0.06 -1.58 2.12 -1.26 0.11 118.70 115.42 2ksq s GLU 17 Ca 0.39 0.72 0.09 0.00 0.36 0.00 0.00 54.97 56.53 2ksq s GLU 17 Cb 0.33 -0.02 -0.03 0.00 0.26 0.00 0.00 34.13 34.66 2ksq s GLU 17 CO 0.05 -0.24 -0.24 -1.64 -0.54 0.00 0.00 175.26 172.64 2ksq s MET 18 N 2.09 1.82 -0.13 4.30 -1.94 -1.02 -4.88 119.30 119.53 2ksq s MET 18 Ca -0.02 -1.11 -0.08 0.00 -1.71 0.00 0.00 55.69 52.77 2ksq s MET 18 Cb -0.11 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.66 2ksq s MET 18 CO -0.09 0.51 0.16 1.03 -0.01 0.00 0.00 175.02 176.62 2ksq s ARG 19 N -1.41 3.62 0.11 2.03 0.52 -1.26 -1.53 118.95 121.03 2ksq s ARG 19 Ca 0.13 -0.11 0.04 0.00 -0.52 0.00 0.00 55.73 55.27 2ksq s ARG 19 Cb -0.10 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 2ksq s ARG 19 CO 0.03 0.68 -0.11 0.42 0.02 0.00 0.00 175.30 176.34 2ksq s ILE 20 N -0.76 1.06 0.01 1.52 1.09 0.28 0.11 121.20 124.52 2ksq s ILE 20 Ca 0.14 -1.72 0.03 0.00 -1.10 0.00 0.00 60.65 58.01 2ksq s ILE 20 Cb -0.12 -1.47 -0.01 0.00 -1.06 0.00 0.00 42.46 39.80 2ksq s ILE 20 CO 0.03 -0.55 -0.09 -0.22 -0.10 0.00 0.00 174.94 174.01 2ksq s LEU 21 N -2.55 2.09 -0.17 2.97 2.96 -1.04 -0.33 118.68 122.61 2ksq s LEU 21 Ca 0.08 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 2ksq s LEU 21 Cb -0.03 -0.41 0.03 0.00 0.50 0.00 0.00 46.19 46.28 2ksq s LEU 21 CO 0.01 0.04 -0.14 -0.04 -1.32 0.00 0.00 176.35 174.90 2ksq s MET 22 N -0.61 2.31 0.29 1.98 -1.94 0.14 0.11 119.30 121.57 2ksq s MET 22 Ca 0.01 -0.71 -0.07 0.00 -1.71 0.00 0.00 55.69 53.20 2ksq s MET 22 Cb -0.05 -2.30 0.03 0.00 2.01 0.00 0.00 34.83 34.52 2ksq s MET 22 CO 0.00 -0.31 0.51 1.33 -0.01 0.00 0.00 175.02 176.55 2ksq n VAL 23 N 4.71 0.00 -0.06 -6.03 0.24 -1.10 -2.23 118.33 113.86 2ksq n VAL 23 Ca -0.17 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.15 2ksq n VAL 23 Cb 0.49 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 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 -0.42 -1.03 2.13 7.63 0.00 -1.26 -2.98 105.19 109.26 2ksq n GLY 24 Ca -0.04 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2ksq n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ksq n LEU 25 N -0.21 -6.18 -0.47 0.99 4.77 -1.26 -4.40 117.00 110.24 2ksq n LEU 25 Ca 0.00 3.40 0.03 0.00 -0.03 0.00 0.00 56.01 59.41 2ksq n LEU 25 Cb 0.00 -3.23 0.10 0.00 -2.33 0.00 0.00 43.42 37.96 2ksq n LEU 25 CO 0.00 -1.80 0.56 -0.90 -1.33 0.00 0.00 177.39 173.92 2ksq n ASP 26 N 1.97 1.33 0.00 -1.43 5.68 -1.26 -3.63 116.55 119.21 2ksq n ASP 26 Ca 0.00 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 2ksq n ASP 26 Cb 0.00 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 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 0.75 -0.18 0.11 6.12 0.00 -1.26 -4.84 105.19 105.89 2ksq n GLY 27 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.17 0.00 4.61 0.00 -1.81 -3.45 119.26 118.44 2ksq h ALA 28 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ksq h ALA 28 Cb 0.39 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ksq h ALA 28 CO 0.00 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.25 2ksq n GLY 29 N -0.16 0.78 0.28 0.00 0.00 -1.26 -4.62 105.19 100.22 2ksq n GLY 29 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 2ksq n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ksq h LYS 30 N 0.00 0.98 -0.55 1.61 1.57 -1.93 -2.16 116.57 116.09 2ksq h LYS 30 Ca 0.00 -0.42 -0.06 0.00 -1.87 0.00 0.00 60.65 58.29 2ksq h LYS 30 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2ksq h LYS 30 CO 0.00 1.10 0.08 1.15 -0.57 0.00 0.00 179.45 181.21 2ksq h THR 31 N 0.84 1.24 0.15 -0.16 2.02 -1.96 -1.74 112.91 113.30 2ksq h THR 31 Ca 0.11 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 2ksq h THR 31 Cb 0.81 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2ksq h THR 31 CO 0.07 0.34 -0.07 0.71 0.37 0.00 0.00 175.52 176.94 2ksq h THR 32 N 0.83 1.00 -0.00 3.16 1.35 -1.89 -2.75 112.91 114.59 2ksq h THR 32 Ca 0.17 -0.80 0.01 0.00 -0.55 0.00 0.00 66.41 65.24 2ksq h THR 32 Cb 0.38 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 2ksq h THR 32 CO 0.01 0.18 -0.08 0.58 -0.25 0.00 0.00 175.52 175.96 2ksq h VAL 33 N -0.60 0.79 -0.95 6.82 2.07 -1.35 0.62 116.25 123.65 2ksq h VAL 33 Ca -0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.62 2ksq h VAL 33 Cb 0.45 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 2ksq h VAL 33 CO 0.03 0.00 0.61 0.25 0.02 0.00 0.00 177.57 178.48 2ksq h LEU 34 N -0.14 0.84 -0.18 2.57 5.85 -1.40 0.67 115.31 123.53 2ksq h LEU 34 Ca 0.03 0.04 -0.21 0.00 0.84 0.00 0.00 57.88 58.58 2ksq h LEU 34 Cb 0.18 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2ksq h LEU 34 CO -0.08 0.46 -0.96 1.88 -0.34 0.00 0.00 178.44 179.40 2ksq h TYR 35 N 0.91 0.34 -0.09 1.25 -1.99 -1.15 -2.34 116.97 113.91 2ksq h TYR 35 Ca 0.46 -0.20 -0.07 0.00 2.00 0.00 0.00 58.73 60.92 2ksq h TYR 35 Cb 0.50 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.20 2ksq h TYR 35 CO -0.00 1.05 -0.20 0.87 -0.00 0.00 0.00 178.16 179.87 2ksq h LYS 36 N 0.11 0.29 0.00 4.88 1.57 0.12 0.86 116.57 124.40 2ksq h LYS 36 Ca -0.06 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 2ksq h LYS 36 Cb 1.61 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.94 2ksq h LYS 36 CO 0.15 0.80 -0.44 1.25 -0.57 0.00 0.00 179.45 180.64 2ksq h LEU 37 N -0.18 0.00 0.06 2.94 6.46 -1.02 0.94 115.31 124.51 2ksq h LEU 37 Ca -0.00 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.42 2ksq h LEU 37 Cb 0.81 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.70 2ksq h LEU 37 CO 0.04 0.44 -1.93 1.17 -0.62 0.00 0.00 178.44 177.54 2ksq n LYS 38 N -3.66 0.69 -0.00 1.25 0.00 -0.88 -4.46 118.16 111.09 2ksq n LYS 38 Ca -0.01 0.25 0.07 0.00 0.00 0.00 0.00 58.31 58.63 2ksq n LYS 38 Cb 0.52 -1.72 -0.10 0.00 0.00 0.00 0.00 35.03 33.73 2ksq n LYS 38 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2ksq n LEU 39 N -3.24 0.41 0.00 3.14 4.77 0.30 -4.99 117.00 117.39 2ksq n LEU 39 Ca -0.26 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 2ksq n LEU 39 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 2ksq n LEU 39 CO 0.43 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2ksq n GLY 40 N 1.47 0.62 3.12 -0.72 0.00 0.32 -4.98 105.19 105.02 2ksq n GLY 40 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2ksq n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ksq s GLU 41 N -0.37 0.69 -0.19 1.61 4.04 -1.25 -5.00 118.70 118.23 2ksq s GLU 41 Ca 0.00 -0.94 -0.23 0.00 0.04 0.00 0.00 54.97 53.85 2ksq s GLU 41 Cb 0.00 -0.46 -0.02 0.00 0.02 0.00 0.00 34.13 33.67 2ksq s GLU 41 CO 0.00 0.08 0.71 0.08 -1.84 0.00 0.00 175.26 174.29 2ksq s VAL 42 N -1.77 4.96 0.38 1.83 1.01 -1.26 -4.01 120.40 121.53 2ksq s VAL 42 Ca -0.03 1.36 0.08 0.00 0.00 0.00 0.00 61.98 63.39 2ksq s VAL 42 Cb -0.07 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 2ksq s VAL 42 CO 0.00 0.07 -0.03 0.27 0.00 0.00 0.00 175.10 175.41 2ksq s ILE 43 N 2.07 2.11 -0.17 2.22 -5.25 -1.26 -5.10 121.20 115.82 2ksq s ILE 43 Ca 0.32 -2.07 -0.29 0.00 -0.99 0.00 0.00 60.65 57.62 2ksq s ILE 43 Cb -0.16 -2.86 -0.02 0.00 2.95 0.00 0.00 42.46 42.37 2ksq s ILE 43 CO 0.11 -0.08 1.30 0.28 -1.79 0.00 0.00 174.94 174.76 2ksq s THR 44 N -2.67 4.22 0.33 8.37 -1.32 -1.26 -4.95 115.64 118.36 2ksq s THR 44 Ca 0.34 1.46 0.07 0.00 -1.21 0.00 0.00 61.69 62.36 2ksq s THR 44 Cb 0.07 -3.97 -0.02 0.00 -1.51 0.00 0.00 72.50 67.07 2ksq s THR 44 CO 0.18 -0.16 0.34 0.28 -2.21 0.00 0.00 174.62 173.04 2ksq s THR 45 N 3.63 3.70 0.15 5.08 -1.32 -1.26 -5.09 115.64 120.52 2ksq s THR 45 Ca 0.56 -1.27 -0.07 0.00 -1.21 0.00 0.00 61.69 59.70 2ksq s THR 45 Cb -0.22 -3.25 -0.01 0.00 -1.51 0.00 0.00 72.50 67.50 2ksq s THR 45 CO 0.16 -0.17 0.23 0.27 -2.21 0.00 0.00 174.62 172.90 2ksq s ILE 46 N -2.27 0.08 -0.19 5.08 -4.36 -1.26 -5.11 121.20 113.18 2ksq s ILE 46 Ca 0.42 -1.46 -0.31 0.00 -0.26 0.00 0.00 60.65 59.04 2ksq s ILE 46 Cb -0.07 -1.81 -0.08 0.00 1.25 0.00 0.00 42.46 41.75 2ksq s ILE 46 CO 0.28 -0.38 2.13 -2.65 0.24 0.00 0.00 174.94 174.55 2ksq n PRO 47 N -0.17 1.95 -3.19 0.37 -0.02 -1.26 -4.93 135.00 127.75 2ksq n PRO 47 Ca -0.08 0.60 -0.40 0.00 -2.02 0.00 0.00 63.50 61.60 2ksq n PRO 47 Cb 0.63 -2.95 -0.07 0.00 -0.02 0.00 0.00 33.50 31.09 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 6.87 5.04 -0.76 3.45 2.01 -1.26 -5.00 115.64 125.99 2ksq s THR 48 Ca 1.00 0.99 0.03 0.00 0.31 0.00 0.00 61.69 64.02 2ksq s THR 48 Cb -0.51 -3.87 0.20 0.00 0.01 0.00 0.00 72.50 68.32 2ksq s THR 48 CO 0.42 0.08 0.63 -0.38 -0.69 0.00 0.00 174.62 174.68 2ksq n ILE 49 N 5.05 2.19 0.00 1.82 5.41 -1.26 -3.85 119.36 128.72 2ksq n ILE 49 Ca -0.03 -5.01 0.00 0.00 1.00 0.00 0.00 62.75 58.72 2ksq n ILE 49 Cb 0.50 -2.23 0.00 0.00 -0.71 0.00 0.00 39.64 37.20 2ksq n ILE 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ksq n GLY 50 N 1.90 -0.60 3.03 7.39 0.00 -1.26 -4.96 105.19 110.69 2ksq n GLY 50 Ca 0.22 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.71 0.01 -0.17 1.61 -0.71 -1.26 -1.47 117.98 114.29 2ksq s PHE 51 Ca 0.00 -0.02 -0.05 0.00 -1.04 0.00 0.00 56.93 55.82 2ksq s PHE 51 Cb 0.00 -0.04 0.08 0.00 -1.21 0.00 0.00 43.02 41.86 2ksq s PHE 51 CO 0.00 -0.16 0.31 1.21 -1.34 0.00 0.00 175.22 175.23 2ksq s ASN 52 N -0.75 0.31 0.41 1.98 3.84 -0.94 -4.99 114.94 114.80 2ksq s ASN 52 Ca -0.08 0.55 -0.09 0.00 0.21 0.00 0.00 52.86 53.45 2ksq s ASN 52 Cb -0.05 0.87 -0.06 0.00 -0.55 0.00 0.00 41.25 41.46 2ksq s ASN 52 CO 0.00 -0.26 0.75 -0.69 -2.79 0.00 0.00 177.10 174.12 2ksq s VAL 53 N 2.47 4.84 -0.08 -5.21 1.01 -1.26 -0.81 120.40 121.36 2ksq s VAL 53 Ca 0.03 0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 2ksq s VAL 53 Cb -0.13 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.53 2ksq s VAL 53 CO -0.11 -0.58 0.10 -0.70 0.00 0.00 0.00 175.10 173.81 2ksq s GLU 54 N -4.04 -0.01 -0.45 2.72 2.56 -0.49 -4.95 118.70 114.04 2ksq s GLU 54 Ca 0.49 0.37 -0.23 0.00 0.00 0.00 0.00 54.97 55.60 2ksq s GLU 54 Cb -0.10 -0.65 0.03 0.00 2.00 0.00 0.00 34.13 35.41 2ksq s GLU 54 CO 0.35 -0.38 0.77 0.00 -0.56 0.00 0.00 175.26 175.44 2ksq s VAL 56 N 3.25 1.31 -0.13 0.00 1.01 0.42 -5.01 120.40 121.25 2ksq s VAL 56 Ca 0.29 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 2ksq s VAL 56 Cb -0.12 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2ksq s VAL 56 CO 0.22 0.38 -0.02 -1.58 0.00 0.00 0.00 175.10 174.10 2ksq s GLN 57 N -0.21 3.42 -0.11 2.72 0.74 -1.26 0.14 119.66 125.10 2ksq s GLN 57 Ca 0.03 -0.48 -0.03 0.00 0.05 0.00 0.00 55.36 54.93 2ksq s GLN 57 Cb -0.08 -2.87 0.04 0.00 1.10 0.00 0.00 33.01 31.20 2ksq s GLN 57 CO 0.00 0.41 0.04 -0.47 -0.55 0.00 0.00 175.29 174.73 2ksq s TYR 58 N -0.09 0.47 0.00 1.67 5.04 -0.02 -4.95 117.35 119.48 2ksq s TYR 58 Ca 0.03 -0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.44 2ksq s TYR 58 Cb -0.13 -0.73 0.00 0.00 0.35 0.00 0.00 41.96 41.45 2ksq s TYR 58 CO 0.02 -0.39 0.00 0.00 -1.34 0.00 0.00 175.55 173.85 2ksq n ASN 60 N 3.25 0.03 -4.73 0.00 3.02 -1.26 -5.10 115.26 110.47 2ksq n ASN 60 Ca 0.00 -1.01 -0.30 0.00 -0.03 0.00 0.00 54.58 53.24 2ksq n ASN 60 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 2ksq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2ksq s ILE 61 N -0.01 4.25 -0.85 2.41 1.01 -0.32 -4.77 121.20 122.92 2ksq s ILE 61 Ca 0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 59.61 2ksq s ILE 61 Cb 0.00 -3.04 0.22 0.00 0.01 0.00 0.00 42.46 39.65 2ksq s ILE 61 CO 0.00 0.12 0.82 -0.55 0.00 0.00 0.00 174.94 175.32 2ksq s SER 62 N -2.37 6.79 -0.29 3.58 0.15 0.31 -0.84 113.70 121.03 2ksq s SER 62 Ca 0.27 -2.69 -0.29 0.00 0.70 0.00 0.00 55.95 53.94 2ksq s SER 62 Cb -0.12 -2.23 0.01 0.00 -1.71 0.00 0.00 66.02 61.98 2ksq s SER 62 CO 0.20 -0.60 1.12 -0.36 1.20 0.00 0.00 173.24 174.80 2ksq s PHE 63 N 0.30 3.08 -0.34 3.44 0.08 0.37 -2.45 117.98 122.46 2ksq s PHE 63 Ca 0.20 1.17 -0.10 0.00 0.12 0.00 0.00 56.93 58.32 2ksq s PHE 63 Cb -0.10 -3.64 0.01 0.00 -0.57 0.00 0.00 43.02 38.73 2ksq s PHE 63 CO -0.09 -0.95 0.17 0.95 -0.10 0.00 0.00 175.22 175.20 2ksq s THR 64 N 3.68 4.51 -0.34 0.64 -4.23 -0.58 -0.44 115.64 118.87 2ksq s THR 64 Ca 0.48 -0.70 -0.07 0.00 -1.18 0.00 0.00 61.69 60.21 2ksq s THR 64 Cb -0.14 -3.43 0.04 0.00 1.34 0.00 0.00 72.50 70.31 2ksq s THR 64 CO 0.15 -0.10 0.12 -0.69 -0.54 0.00 0.00 174.62 173.56 2ksq s VAL 65 N 1.56 3.91 -0.19 2.29 1.01 -0.40 0.10 120.40 128.69 2ksq s VAL 65 Ca 0.03 -1.09 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 2ksq s VAL 65 Cb -0.18 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2ksq s VAL 65 CO 0.06 -0.19 0.42 0.86 0.00 0.00 0.00 175.10 176.25 2ksq s TRP 66 N 1.43 3.40 -0.29 5.22 -0.11 0.55 -1.40 118.94 127.74 2ksq s TRP 66 Ca -0.01 0.67 -0.00 0.00 1.22 0.00 0.00 56.10 57.98 2ksq s TRP 66 Cb -0.19 -2.54 0.05 0.00 -1.50 0.00 0.00 33.47 29.30 2ksq s TRP 66 CO 0.03 0.02 -0.03 0.34 -4.62 0.00 0.00 176.95 172.69 2ksq s ASP 67 N 0.96 4.75 0.10 5.86 2.15 0.01 0.27 116.67 130.76 2ksq s ASP 67 Ca 0.20 -1.34 -0.06 0.00 0.43 0.00 0.00 52.55 51.78 2ksq s ASP 67 Cb -0.15 -1.66 -0.05 0.00 -0.30 0.00 0.00 42.92 40.76 2ksq s ASP 67 CO 0.08 -0.24 0.35 -0.69 -0.17 0.00 0.00 175.17 174.50 2ksq s VAL 68 N 1.20 5.18 0.27 1.11 1.01 -0.95 -2.22 120.40 126.00 2ksq s VAL 68 Ca -0.06 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 2ksq s VAL 68 Cb -0.20 -3.62 -0.15 0.00 0.00 0.00 0.00 36.38 32.42 2ksq s VAL 68 CO -0.03 0.17 0.97 0.61 0.00 0.00 0.00 175.10 176.82 2ksq n GLY 69 N 0.50 -0.40 0.16 4.51 0.00 -0.54 -4.60 105.19 104.83 2ksq n GLY 69 Ca -0.06 0.35 0.04 0.00 0.00 0.00 0.00 46.02 46.35 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 2.02 0.00 -6.19 -0.02 0.00 -1.80 -3.38 103.07 93.69 2ksq h GLY 70 Ca -0.39 0.00 -0.77 0.00 0.00 0.00 0.00 47.33 46.17 2ksq h GLY 70 CO 0.61 0.00 0.50 -1.06 0.00 0.00 0.00 176.54 176.59 2ksq n GLN 71 N -3.37 0.54 -0.29 4.80 1.13 -1.26 -4.34 117.38 114.58 2ksq n GLN 71 Ca 0.01 0.19 0.09 0.00 -1.94 0.00 0.00 57.00 55.35 2ksq n GLN 71 Cb 0.63 -1.77 0.25 0.00 0.11 0.00 0.00 30.24 29.46 2ksq n GLN 71 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2ksq h ASP 72 N 4.82 0.44 -0.10 1.08 3.04 -1.99 0.38 116.42 124.10 2ksq h ASP 72 Ca -0.47 0.11 0.03 0.00 -3.24 0.00 0.00 57.03 53.46 2ksq h ASP 72 Cb 1.37 0.05 -0.00 0.00 -1.04 0.00 0.00 39.33 39.71 2ksq h ASP 72 CO 0.83 0.14 0.12 0.03 -2.04 0.00 0.00 179.24 178.33 2ksq h ARG 73 N 0.54 0.00 0.00 4.15 2.47 -1.97 -2.11 114.38 117.45 2ksq h ARG 73 Ca 0.49 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.21 2ksq h ARG 73 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 2ksq h ARG 73 CO -0.42 0.00 -0.57 0.44 0.56 0.00 0.00 179.97 179.98 2ksq n ILE 74 N -3.79 0.00 0.09 2.04 -5.35 0.48 -4.56 119.36 108.27 2ksq n ILE 74 Ca -0.00 -0.25 0.20 0.00 -0.27 0.00 0.00 62.75 62.43 2ksq n ILE 74 Cb 0.22 0.95 0.72 0.00 -1.74 0.00 0.00 39.64 39.79 2ksq n ILE 74 CO 0.00 0.00 0.00 0.08 -1.76 0.00 0.00 176.55 174.87 2ksq h ARG 75 N 0.00 0.00 0.00 6.28 -0.00 0.33 0.15 114.38 121.14 2ksq h ARG 75 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 2ksq h ARG 75 Cb 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.24 2ksq h ARG 75 CO 0.00 0.00 -0.05 0.77 -0.00 0.00 0.00 179.97 180.69 2ksq h SER 76 N 0.00 0.00 0.03 0.08 0.02 -1.81 -1.82 113.55 110.05 2ksq h SER 76 Ca 0.20 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2ksq h SER 76 Cb 1.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 2ksq h SER 76 CO -0.00 0.05 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.67 2ksq h LEU 77 N 0.00 0.00 -0.55 5.07 4.07 -1.04 -2.85 115.31 120.01 2ksq h LEU 77 Ca -0.00 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.03 2ksq h LEU 77 Cb 0.10 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.78 2ksq h LEU 77 CO 0.01 0.00 0.22 -0.50 -1.08 0.00 0.00 178.44 177.09 2ksq h TRP 78 N 0.00 0.39 -0.63 1.13 6.55 -1.51 -1.18 115.95 120.71 2ksq h TRP 78 Ca -0.00 0.03 -0.26 0.00 0.95 0.00 0.00 58.89 59.61 2ksq h TRP 78 Cb 0.01 -0.09 -0.15 0.00 -0.86 0.00 0.00 29.16 28.07 2ksq h TRP 78 CO 0.00 0.13 0.33 2.89 -1.05 0.00 0.00 178.44 180.74 2ksq n ARG 79 N -4.97 2.52 -0.00 0.49 -4.01 -1.07 -3.34 116.66 106.28 2ksq n ARG 79 Ca 0.07 -2.22 0.03 0.00 -1.04 0.00 0.00 57.85 54.69 2ksq n ARG 79 Cb 0.22 -1.92 -0.04 0.00 -3.04 0.00 0.00 32.46 27.68 2ksq n ARG 79 CO 0.00 0.00 0.00 1.58 -3.04 0.00 0.00 177.63 176.17 2ksq n HIS 80 N -0.33 0.00 -1.98 2.89 -0.00 -0.45 -4.75 115.22 110.60 2ksq n HIS 80 Ca 0.36 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.54 2ksq n HIS 80 Cb 1.22 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 31.05 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 -1.33 0.00 -0.10 1.57 4.01 -1.21 -4.94 117.16 115.16 2ksq n TYR 81 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 2ksq n TYR 81 Cb 0.11 0.10 0.01 0.00 -0.31 0.00 0.00 39.34 39.25 2ksq n TYR 81 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2ksq h TYR 82 N 0.00 0.09 0.00 -0.72 0.05 -1.83 -3.45 116.97 111.11 2ksq h TYR 82 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2ksq h TYR 82 Cb 1.19 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.94 2ksq h TYR 82 CO -0.09 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.02 2ksq n ASN 84 N 1.34 -2.59 -4.72 0.00 5.15 -1.26 -5.14 115.26 108.04 2ksq n ASN 84 Ca 0.00 -2.24 -0.40 0.00 -0.60 0.00 0.00 54.58 51.34 2ksq n ASN 84 Cb 0.00 1.36 -0.05 0.00 -0.53 0.00 0.00 39.78 40.56 2ksq n ASN 84 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2ksq s THR 85 N 0.83 4.96 0.01 -0.44 2.01 -1.24 -4.49 115.64 117.28 2ksq s THR 85 Ca 0.28 1.53 -0.01 0.00 0.31 0.00 0.00 61.69 63.79 2ksq s THR 85 Cb 0.09 -4.07 -0.27 0.00 0.01 0.00 0.00 72.50 68.25 2ksq s THR 85 CO -0.09 0.27 0.88 -0.08 -0.69 0.00 0.00 174.62 174.91 2ksq h GLU 86 N 6.49 0.21 -3.07 4.92 4.57 0.48 -3.43 114.58 124.76 2ksq h GLU 86 Ca -0.42 -0.36 -0.20 0.00 -1.18 0.00 0.00 59.36 57.20 2ksq h GLU 86 Cb 1.20 0.13 -0.30 0.00 -0.16 0.00 0.00 28.75 29.63 2ksq h GLU 86 CO 0.74 1.06 -0.50 0.20 -1.18 0.00 0.00 179.01 179.33 2ksq s GLY 87 N -4.95 -0.12 -0.26 1.92 0.00 -0.64 -2.94 107.32 100.33 2ksq s GLY 87 Ca -0.08 0.93 -0.08 0.00 0.00 0.00 0.00 44.72 45.49 2ksq s GLY 87 CO 0.85 1.18 0.10 0.14 0.00 0.00 0.00 173.10 175.37 2ksq s VAL 88 N 1.20 4.53 -0.02 1.40 1.01 -0.31 -2.50 120.40 125.69 2ksq s VAL 88 Ca -0.09 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 2ksq s VAL 88 Cb -0.10 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 2ksq s VAL 88 CO -0.08 0.32 0.46 -0.63 0.00 0.00 0.00 175.10 175.17 2ksq s ILE 89 N 1.65 5.02 -0.11 2.22 1.01 0.30 -0.86 121.20 130.42 2ksq s ILE 89 Ca 0.06 0.95 0.03 0.00 0.00 0.00 0.00 60.65 61.70 2ksq s ILE 89 Cb -0.15 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.54 2ksq s ILE 89 CO 0.05 0.49 -0.23 -0.36 0.00 0.00 0.00 174.94 174.89 2ksq s PHE 90 N -0.53 2.60 -0.31 3.97 0.08 0.11 -2.70 117.98 121.20 2ksq s PHE 90 Ca 0.25 -1.13 -0.11 0.00 0.12 0.00 0.00 56.93 56.06 2ksq s PHE 90 Cb -0.17 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 2ksq s PHE 90 CO 0.13 -0.48 0.19 0.08 -0.10 0.00 0.00 175.22 175.05 2ksq s VAL 91 N 0.48 5.03 -0.13 -0.44 1.01 -1.16 -1.04 120.40 124.16 2ksq s VAL 91 Ca -0.15 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2ksq s VAL 91 Cb -0.17 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.72 2ksq s VAL 91 CO 0.06 0.12 -0.18 0.54 0.00 0.00 0.00 175.10 175.63 2ksq s VAL 92 N 1.70 1.73 0.06 2.92 0.11 -1.15 -4.48 120.40 121.28 2ksq s VAL 92 Ca 0.06 -0.78 -0.31 0.00 -2.93 0.00 0.00 61.98 58.03 2ksq s VAL 92 Cb -0.17 -1.56 -0.08 0.00 -1.53 0.00 0.00 36.38 33.04 2ksq s VAL 92 CO 0.09 0.49 1.68 -0.62 -3.33 0.00 0.00 175.10 173.40 2ksq s ASP 93 N 0.97 6.59 0.06 3.54 -1.08 -1.26 -0.93 116.67 124.57 2ksq s ASP 93 Ca -0.05 2.48 0.05 0.00 -0.52 0.00 0.00 52.55 54.51 2ksq s ASP 93 Cb -0.15 -2.56 -0.23 0.00 -1.46 0.00 0.00 42.92 38.52 2ksq s ASP 93 CO -0.03 -0.90 1.07 0.77 0.52 0.00 0.00 175.17 176.60 2ksq h SER 94 N 8.55 0.11 0.01 -0.34 4.64 -1.67 -3.29 113.55 121.57 2ksq h SER 94 Ca -0.43 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 2ksq h SER 94 Cb 1.20 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2ksq h SER 94 CO 0.93 1.12 -0.01 0.59 -0.87 0.00 0.00 176.83 178.59 2ksq n ASN 95 N -3.33 0.67 -4.01 4.97 3.02 -1.26 -3.87 115.26 111.45 2ksq n ASN 95 Ca -0.07 -1.19 -0.35 0.00 -0.03 0.00 0.00 54.58 52.93 2ksq n ASN 95 Cb 0.99 -0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 40.09 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 -0.49 4.34 0.22 6.41 9.92 -1.24 -4.86 116.55 130.85 2ksq n ASP 96 Ca 0.21 -3.20 0.08 0.00 -0.53 0.00 0.00 54.79 51.36 2ksq n ASP 96 Cb 0.22 -1.02 0.53 0.00 -0.64 0.00 0.00 41.12 40.21 2ksq n ASP 96 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 2ksq h ARG 97 N 5.69 0.00 -0.59 -1.24 0.11 -1.85 -2.58 114.38 113.92 2ksq h ARG 97 Ca 0.17 0.00 0.06 0.00 0.10 0.00 0.00 59.98 60.31 2ksq h ARG 97 Cb 0.77 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.80 2ksq h ARG 97 CO 0.90 0.24 0.30 1.03 0.10 0.00 0.00 179.97 182.54 2ksq h SER 98 N 0.00 0.42 -0.02 0.08 0.87 -1.98 -2.65 113.55 110.28 2ksq h SER 98 Ca -0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2ksq h SER 98 Cb 0.56 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2ksq h SER 98 CO 0.03 0.27 -0.14 -2.11 -0.53 0.00 0.00 176.83 174.36 2ksq n ARG 99 N -4.86 1.92 0.01 2.24 1.85 -1.17 -4.54 116.66 112.11 2ksq n ARG 99 Ca 0.07 -1.55 0.20 0.00 -1.00 0.00 0.00 57.85 55.57 2ksq n ARG 99 Cb 0.18 -1.47 0.48 0.00 -1.05 0.00 0.00 32.46 30.60 2ksq n ARG 99 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 2ksq h ILE 100 N 3.78 0.09 0.02 8.89 6.09 -1.08 0.89 117.51 136.20 2ksq h ILE 100 Ca 0.00 0.00 -0.25 0.00 -1.37 0.00 0.00 64.86 63.24 2ksq h ILE 100 Cb 0.87 0.23 -0.03 0.00 0.47 0.00 0.00 36.82 38.37 2ksq h ILE 100 CO 0.00 0.00 -1.26 1.23 -3.07 0.00 0.00 178.15 175.05 2ksq h GLY 101 N 0.00 0.05 0.97 8.18 0.00 -1.80 -3.10 103.07 107.38 2ksq h GLY 101 Ca 0.29 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 2ksq h GLY 101 CO -0.00 0.12 0.17 0.83 0.00 0.00 0.00 176.54 177.66 2ksq h GLU 102 N 0.01 0.76 -0.06 4.80 5.08 0.49 0.20 114.58 125.87 2ksq h GLU 102 Ca -0.11 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2ksq h GLU 102 Cb 1.87 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 31.00 2ksq h GLU 102 CO 0.13 0.70 0.04 0.00 -1.00 0.00 0.00 179.01 178.87 2ksq h ALA 103 N 1.03 0.08 -0.43 3.43 0.00 -1.58 -0.76 119.26 121.02 2ksq h ALA 103 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2ksq h ALA 103 Cb 0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2ksq h ALA 103 CO -0.01 -0.42 0.28 -0.09 0.00 0.00 0.00 179.25 179.02 2ksq h ARG 104 N 0.06 0.56 -0.76 0.00 1.12 -1.43 -2.20 114.38 111.74 2ksq h ARG 104 Ca 0.02 -0.03 0.05 0.00 -1.11 0.00 0.00 59.98 58.91 2ksq h ARG 104 Cb 0.02 -0.13 -0.05 0.00 -0.01 0.00 0.00 29.97 29.80 2ksq h ARG 104 CO -0.00 0.37 0.50 0.93 -3.11 0.00 0.00 179.97 178.66 2ksq h GLU 105 N 0.58 0.83 -0.50 0.20 5.08 -0.30 -0.23 114.58 120.24 2ksq h GLU 105 Ca 0.16 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2ksq h GLU 105 Cb -0.07 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 2ksq h GLU 105 CO -0.04 0.55 0.27 0.28 -1.00 0.00 0.00 179.01 179.08 2ksq h VAL 106 N 0.86 1.16 -0.65 3.13 2.07 -0.52 -1.82 116.25 120.48 2ksq h VAL 106 Ca 0.32 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2ksq h VAL 106 Cb 0.16 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2ksq h VAL 106 CO -0.10 0.17 0.36 0.24 0.02 0.00 0.00 177.57 178.26 2ksq h MET 107 N 0.69 0.90 -0.57 1.57 2.86 -0.74 -2.79 114.93 116.87 2ksq h MET 107 Ca 0.18 -0.10 0.07 0.00 -2.06 0.00 0.00 59.70 57.79 2ksq h MET 107 Cb 0.02 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 31.44 2ksq h MET 107 CO -0.03 0.68 0.23 0.37 1.06 0.00 0.00 176.91 179.22 2ksq h GLN 108 N 0.89 0.42 -0.34 1.72 4.15 -1.08 0.57 115.11 121.44 2ksq h GLN 108 Ca 0.23 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.68 2ksq h GLN 108 Cb 0.03 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.58 2ksq h GLN 108 CO -0.04 0.28 0.03 -0.09 -1.93 0.00 0.00 178.83 177.08 2ksq h ARG 109 N 0.44 0.13 -0.08 1.69 9.65 -1.35 0.17 114.38 125.02 2ksq h ARG 109 Ca 0.27 -0.01 -0.11 0.00 -1.10 0.00 0.00 59.98 59.04 2ksq h ARG 109 Cb 0.28 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 2ksq h ARG 109 CO -0.25 0.08 -0.44 0.52 2.80 0.00 0.00 179.97 182.68 2ksq h MET 110 N 0.13 0.18 -0.44 0.20 2.86 -1.26 -2.72 114.93 113.88 2ksq h MET 110 Ca 0.16 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 2ksq h MET 110 Cb 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2ksq h MET 110 CO -0.25 0.59 -0.08 1.25 1.06 0.00 0.00 176.91 179.48 2ksq h LEU 111 N 0.15 0.76 -1.60 1.22 6.46 0.16 -2.63 115.31 119.82 2ksq h LEU 111 Ca 0.01 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 2ksq h LEU 111 Cb 0.84 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 2ksq h LEU 111 CO 0.07 0.87 0.00 -0.46 -0.62 0.00 0.00 178.44 178.30 2ksq n ASN 112 N -4.18 2.36 -4.59 1.25 0.23 0.43 -4.86 115.26 105.91 2ksq n ASN 112 Ca 0.02 -1.89 -0.43 0.00 -0.53 0.00 0.00 54.58 51.76 2ksq n ASN 112 Cb 0.35 -0.22 -0.04 0.00 -2.08 0.00 0.00 39.78 37.79 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 -1.56 3.74 0.47 -3.83 0.41 -0.99 -4.90 118.70 112.04 2ksq s GLU 113 Ca 0.33 0.40 0.15 0.00 -0.41 0.00 0.00 54.97 55.44 2ksq s GLU 113 Cb 0.18 -3.83 1.10 0.00 -1.78 0.00 0.00 34.13 29.79 2ksq s GLU 113 CO 0.25 -0.98 2.06 0.38 -0.49 0.00 0.00 175.26 176.48 2ksq h ASP 114 N 8.61 0.03 0.56 -0.19 2.03 -1.89 -0.51 116.42 125.06 2ksq h ASP 114 Ca -0.24 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.06 2ksq h ASP 114 Cb 1.08 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 2ksq h ASP 114 CO 0.97 0.12 0.00 -0.62 -1.03 0.00 0.00 179.24 178.68 2ksq n GLU 115 N -4.42 0.09 -0.55 4.15 1.02 -1.26 -2.85 120.64 116.82 2ksq n GLU 115 Ca -0.02 0.35 0.04 0.00 -0.02 0.00 0.00 57.16 57.51 2ksq n GLU 115 Cb 0.18 -1.68 0.06 0.00 -0.02 0.00 0.00 31.44 29.98 2ksq n GLU 115 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ksq n LEU 116 N -1.86 1.11 0.13 -4.62 4.77 -0.27 -4.79 117.00 111.46 2ksq n LEU 116 Ca 0.03 -2.05 0.10 0.00 -0.03 0.00 0.00 56.01 54.06 2ksq n LEU 116 Cb 0.18 -0.18 0.49 0.00 -2.33 0.00 0.00 43.42 41.58 2ksq n LEU 116 CO 0.16 0.54 0.81 0.00 -1.33 0.00 0.00 177.39 177.57 2ksq n ASN 118 N -2.15 2.85 -4.91 0.00 0.23 -1.26 -5.01 115.26 105.01 2ksq n ASN 118 Ca 0.01 -2.13 -0.32 0.00 -0.53 0.00 0.00 54.58 51.60 2ksq n ASN 118 Cb 0.14 -0.23 -0.04 0.00 -2.08 0.00 0.00 39.78 37.56 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 -1.24 3.93 0.89 -2.53 0.00 -0.72 -4.92 121.76 117.16 2ksq s ALA 119 Ca 0.21 -0.72 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 2ksq s ALA 119 Cb 0.13 -1.94 0.13 0.00 0.00 0.00 0.00 23.12 21.43 2ksq s ALA 119 CO 0.12 0.76 1.19 0.00 0.00 0.00 0.00 175.76 177.83 2ksq s ALA 120 N -1.50 2.23 -0.42 0.00 0.00 -1.15 -4.79 121.76 116.13 2ksq s ALA 120 Ca 0.35 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.62 2ksq s ALA 120 Cb -0.13 -2.94 0.20 0.00 0.00 0.00 0.00 23.12 20.25 2ksq s ALA 120 CO 0.24 -2.09 0.48 0.91 0.00 0.00 0.00 175.76 175.31 2ksq n TRP 121 N -3.60 -1.33 -3.18 0.00 8.01 -1.00 -1.16 117.44 115.18 2ksq n TRP 121 Ca 0.09 -3.01 -0.42 0.00 -1.31 0.00 0.00 57.50 52.85 2ksq n TRP 121 Cb 0.60 0.34 -0.07 0.00 -2.01 0.00 0.00 31.31 30.17 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 -0.26 4.39 0.01 -0.99 0.20 -0.04 -2.58 118.68 119.40 2ksq s LEU 122 Ca 0.33 -0.08 -0.02 0.00 0.69 0.00 0.00 54.13 55.05 2ksq s LEU 122 Cb 0.09 -2.66 -0.04 0.00 -0.43 0.00 0.00 46.19 43.15 2ksq s LEU 122 CO -0.16 -0.58 0.19 0.68 -0.29 0.00 0.00 176.35 176.19 2ksq s VAL 123 N 2.56 5.42 -0.17 1.68 -7.23 0.19 0.08 120.40 122.93 2ksq s VAL 123 Ca 0.21 -0.22 -0.01 0.00 -1.81 0.00 0.00 61.98 60.15 2ksq s VAL 123 Cb -0.15 -3.56 0.05 0.00 0.56 0.00 0.00 36.38 33.28 2ksq s VAL 123 CO 0.15 0.28 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.84 2ksq s PHE 124 N -1.37 1.47 -0.44 2.82 0.08 -0.20 -2.19 117.98 118.14 2ksq s PHE 124 Ca 0.29 -1.00 -0.27 0.00 0.12 0.00 0.00 56.93 56.07 2ksq s PHE 124 Cb -0.13 -1.20 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 2ksq s PHE 124 CO 0.21 -0.60 2.10 0.00 -0.10 0.00 0.00 175.22 176.83 2ksq s ALA 125 N 1.71 2.23 0.80 5.36 0.00 -0.07 -2.95 121.76 128.83 2ksq s ALA 125 Ca -0.00 0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 2ksq s ALA 125 Cb -0.16 -4.22 0.07 0.00 0.00 0.00 0.00 23.12 18.81 2ksq s ALA 125 CO -0.07 -3.63 1.14 -0.80 0.00 0.00 0.00 175.76 172.39 2ksq s ASN 126 N 9.14 4.60 -1.86 0.00 -0.87 -0.10 -2.90 114.94 122.95 2ksq s ASN 126 Ca 0.86 0.98 0.00 0.00 -1.57 0.00 0.00 52.86 53.13 2ksq s ASN 126 Cb -0.20 -1.60 0.00 0.00 -0.02 0.00 0.00 41.25 39.43 2ksq s ASN 126 CO 0.28 -1.87 0.00 0.29 -2.57 0.00 0.00 177.10 173.23 2ksq n LYS 127 N -3.32 -1.24 0.29 -0.60 4.76 -1.26 -1.83 118.16 114.95 2ksq n LYS 127 Ca 0.07 1.11 0.14 0.00 -2.87 0.00 0.00 58.31 56.77 2ksq n LYS 127 Cb 0.59 -5.37 0.88 0.00 -1.84 0.00 0.00 35.03 29.29 2ksq n LYS 127 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2ksq h GLN 128 N 0.00 0.00 0.00 1.97 5.75 -1.61 -0.42 115.11 120.80 2ksq h GLN 128 Ca -0.36 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.14 2ksq h GLN 128 Cb 1.15 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.70 2ksq h GLN 128 CO 0.52 0.00 0.00 0.38 -2.65 0.00 0.00 178.83 177.08 2ksq h ASP 129 N 0.00 0.00 -3.60 -0.69 2.03 -1.89 -3.41 116.42 108.86 2ksq h ASP 129 Ca 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 2ksq h ASP 129 Cb 0.00 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.55 2ksq h ASP 129 CO -0.00 0.00 0.66 -0.76 -1.03 0.00 0.00 179.24 178.11 2ksq s LEU 130 N -5.38 4.42 0.51 0.15 2.01 -0.17 -4.89 118.68 115.33 2ksq s LEU 130 Ca 0.01 2.57 0.30 0.00 0.01 0.00 0.00 54.13 57.02 2ksq s LEU 130 Cb 0.09 -3.63 1.42 0.00 0.01 0.00 0.00 46.19 44.08 2ksq s LEU 130 CO 0.42 -0.55 1.84 -0.65 1.01 0.00 0.00 176.35 178.42 2ksq h PRO 131 N 4.44 0.09 -0.74 1.29 0.11 -1.89 0.46 132.00 135.76 2ksq h PRO 131 Ca -0.47 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.38 2ksq h PRO 131 Cb 1.22 -0.02 -0.16 0.00 0.11 0.00 0.00 31.00 32.15 2ksq h PRO 131 CO 0.72 0.06 0.31 -0.85 -0.21 0.00 0.00 178.00 178.03 2ksq n GLU 132 N -4.31 3.32 -1.92 1.05 0.28 -1.26 -4.99 120.64 112.80 2ksq n GLU 132 Ca 0.22 -3.08 -0.42 0.00 -0.16 0.00 0.00 57.16 53.72 2ksq n GLU 132 Cb 1.03 -2.17 -0.03 0.00 1.43 0.00 0.00 31.44 31.70 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ksq s ALA 133 N -3.06 3.76 0.41 -1.84 0.00 0.16 -4.69 121.76 116.49 2ksq s ALA 133 Ca 0.54 1.40 -0.25 0.00 0.00 0.00 0.00 51.96 53.64 2ksq s ALA 133 Cb 0.44 -3.62 -0.08 0.00 0.00 0.00 0.00 23.12 19.86 2ksq s ALA 133 CO 0.12 -0.80 1.26 -1.64 0.00 0.00 0.00 175.76 174.70 2ksq s MET 134 N 0.67 3.95 0.74 0.00 -1.94 -1.25 -4.99 119.30 116.48 2ksq s MET 134 Ca 0.67 2.05 -0.11 0.00 -1.71 0.00 0.00 55.69 56.59 2ksq s MET 134 Cb -0.44 -2.70 0.04 0.00 2.01 0.00 0.00 34.83 33.73 2ksq s MET 134 CO 0.35 -0.47 1.08 -1.12 -0.01 0.00 0.00 175.02 174.85 2ksq s SER 135 N -0.89 4.97 0.40 3.03 0.01 -1.26 -4.90 113.70 115.05 2ksq s SER 135 Ca 0.58 1.48 0.13 0.00 1.31 0.00 0.00 55.95 59.45 2ksq s SER 135 Cb -0.36 -2.29 0.82 0.00 0.21 0.00 0.00 66.02 64.40 2ksq s SER 135 CO 0.45 -1.69 1.88 0.00 0.41 0.00 0.00 173.24 174.29 2ksq h ALA 136 N -0.89 1.48 -0.24 1.44 0.00 -1.99 -2.63 119.26 116.44 2ksq h ALA 136 Ca -0.45 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.06 2ksq h ALA 136 Cb 1.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2ksq h ALA 136 CO 0.58 0.39 -0.36 0.00 0.00 0.00 0.00 179.25 179.85 2ksq h ALA 137 N 1.69 0.93 0.01 0.00 0.00 -1.99 -1.87 119.26 118.04 2ksq h ALA 137 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2ksq h ALA 137 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2ksq h ALA 137 CO 0.04 0.62 -0.11 0.93 0.00 0.00 0.00 179.25 180.73 2ksq h GLU 138 N 0.44 0.06 -0.82 0.00 4.39 -1.88 -2.53 114.58 114.24 2ksq h GLU 138 Ca 0.05 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2ksq h GLU 138 Cb 0.83 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 2ksq h GLU 138 CO 0.07 0.90 0.50 0.82 -1.16 0.00 0.00 179.01 180.14 2ksq h ILE 139 N -0.74 1.23 -0.10 3.13 2.04 -1.54 -1.79 117.51 119.74 2ksq h ILE 139 Ca -0.02 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 2ksq h ILE 139 Cb 0.94 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2ksq h ILE 139 CO 0.02 0.24 -0.01 0.00 0.00 0.00 0.00 178.15 178.40 2ksq h THR 140 N 1.12 1.27 0.30 -0.27 1.03 -1.44 -2.66 112.91 112.27 2ksq h THR 140 Ca 0.30 -0.88 -0.00 0.00 -0.01 0.00 0.00 66.41 65.82 2ksq h THR 140 Cb -0.05 1.66 -0.02 0.00 -1.07 0.00 0.00 68.15 68.67 2ksq h THR 140 CO -0.06 0.25 -0.26 -0.08 -0.01 0.00 0.00 175.52 175.36 2ksq h GLU 141 N -0.12 -0.56 -0.50 0.00 4.22 -1.29 -1.56 114.58 114.77 2ksq h GLU 141 Ca 0.03 0.04 0.13 0.00 0.08 0.00 0.00 59.36 59.63 2ksq h GLU 141 Cb 0.39 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2ksq h GLU 141 CO 0.01 -0.37 0.35 0.87 -2.18 0.00 0.00 179.01 177.69 2ksq h LYS 142 N -0.58 0.10 -0.01 1.92 1.57 -1.39 0.33 116.57 118.51 2ksq h LYS 142 Ca -0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2ksq h LYS 142 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2ksq h LYS 142 CO -0.03 0.07 0.00 1.28 -0.57 0.00 0.00 179.45 180.19 2ksq n LEU 143 N -4.42 0.74 -3.00 2.94 4.77 -0.87 -4.92 117.00 112.23 2ksq n LEU 143 Ca 0.09 -0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 55.61 2ksq n LEU 143 Cb 0.51 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.65 2ksq n LEU 143 CO 0.36 0.12 0.11 0.61 -1.33 0.00 0.00 177.39 177.26 2ksq n GLY 144 N 1.08 -0.40 0.30 -0.72 0.00 0.12 -4.91 105.19 100.66 2ksq n GLY 144 Ca 0.21 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.84 0.83 -1.31 0.99 7.12 -1.50 -2.19 115.31 117.41 2ksq h LEU 145 Ca -0.50 -0.01 -0.06 0.00 0.13 0.00 0.00 57.88 57.45 2ksq h LEU 145 Cb 1.33 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 41.27 2ksq h LEU 145 CO 0.51 0.58 -0.29 1.12 -0.13 0.00 0.00 178.44 180.23 2ksq h HIS 146 N 0.98 0.00 -0.01 1.25 2.07 -1.91 -2.70 115.15 114.83 2ksq h HIS 146 Ca 0.31 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.83 2ksq h HIS 146 Cb -0.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.97 2ksq h HIS 146 CO -0.03 0.29 -0.21 0.43 -3.07 0.00 0.00 177.93 175.33 2ksq n SER 147 N -3.69 0.92 -4.35 3.10 7.64 -0.87 -4.77 113.62 111.60 2ksq n SER 147 Ca -0.01 -0.84 -0.40 0.00 1.01 0.00 0.00 58.87 58.63 2ksq n SER 147 Cb 0.40 0.08 -0.11 0.00 -1.01 0.00 0.00 64.21 63.57 2ksq n SER 147 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2ksq s ILE 148 N -2.48 4.39 -0.07 0.44 -4.36 -0.92 -4.89 121.20 113.31 2ksq s ILE 148 Ca 0.26 -0.93 0.19 0.00 -0.26 0.00 0.00 60.65 59.91 2ksq s ILE 148 Cb 0.19 -3.46 0.38 0.00 1.25 0.00 0.00 42.46 40.83 2ksq s ILE 148 CO 0.50 -0.23 1.17 -1.14 0.24 0.00 0.00 174.94 175.48 2ksq n ARG 149 N 4.95 0.51 0.00 0.37 3.00 -1.26 -4.76 116.66 119.48 2ksq n ARG 149 Ca -0.12 -2.31 0.04 0.00 -0.00 0.00 0.00 57.85 55.46 2ksq n ARG 149 Cb 0.46 -0.57 -0.02 0.00 0.00 0.00 0.00 32.46 32.32 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 -0.09 0.77 -3.73 6.15 3.02 -1.26 -4.99 115.26 115.12 2ksq n ASN 150 Ca 0.10 -0.88 -0.12 0.00 -0.03 0.00 0.00 54.58 53.64 2ksq n ASN 150 Cb 0.96 0.70 -0.13 0.00 -0.61 0.00 0.00 39.78 40.69 2ksq n ASN 150 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2ksq s ARG 151 N -1.41 0.22 -0.70 3.52 6.06 -1.26 -5.10 118.95 120.28 2ksq s ARG 151 Ca 0.05 0.52 -0.26 0.00 -2.50 0.00 0.00 55.73 53.54 2ksq s ARG 151 Cb 0.06 -0.09 -0.05 0.00 0.06 0.00 0.00 34.95 34.94 2ksq s ARG 151 CO 0.25 -0.15 2.02 -1.25 -2.50 0.00 0.00 175.30 173.67 2ksq s PRO 152 N 1.14 2.42 0.04 5.12 0.04 -1.26 -4.94 135.00 137.57 2ksq s PRO 152 Ca -0.08 0.44 0.04 0.00 0.04 0.00 0.00 61.00 61.44 2ksq s PRO 152 Cb -0.09 -4.66 -0.02 0.00 0.04 0.00 0.00 34.50 29.76 2ksq s PRO 152 CO -0.08 -3.18 -0.12 1.67 0.04 0.00 0.00 177.00 175.33 2ksq s TRP 153 N 10.41 1.05 0.04 0.56 -2.14 -1.26 -2.37 118.94 125.24 2ksq s TRP 153 Ca 0.75 -0.37 0.00 0.00 2.66 0.00 0.00 56.10 59.14 2ksq s TRP 153 Cb -0.11 -0.62 -0.03 0.00 -3.10 0.00 0.00 33.47 29.61 2ksq s TRP 153 CO 0.14 0.01 -0.04 0.12 -2.66 0.00 0.00 176.95 174.52 2ksq s PHE 154 N -0.95 0.45 -0.07 1.66 2.19 -1.06 -4.98 117.98 115.21 2ksq s PHE 154 Ca -0.01 -0.67 0.05 0.00 0.33 0.00 0.00 56.93 56.63 2ksq s PHE 154 Cb -0.08 -0.30 -0.00 0.00 -1.31 0.00 0.00 43.02 41.32 2ksq s PHE 154 CO 0.01 -0.21 -0.23 -1.50 1.83 0.00 0.00 175.22 175.12 2ksq s ILE 155 N -2.14 1.95 -0.01 3.12 2.07 -1.25 0.52 121.20 125.46 2ksq s ILE 155 Ca -0.08 -0.98 0.02 0.00 -1.41 0.00 0.00 60.65 58.20 2ksq s ILE 155 Cb -0.05 -1.67 -0.00 0.00 0.13 0.00 0.00 42.46 40.87 2ksq s ILE 155 CO -0.03 0.54 -0.08 -1.58 -1.91 0.00 0.00 174.94 171.88 2ksq s GLN 156 N 0.09 0.73 -0.34 3.50 2.00 -0.93 -5.00 119.66 119.71 2ksq s GLN 156 Ca -0.10 -0.28 -0.22 0.00 -2.00 0.00 0.00 55.36 52.75 2ksq s GLN 156 Cb -0.15 -0.70 0.00 0.00 0.80 0.00 0.00 33.01 32.96 2ksq s GLN 156 CO 0.06 0.15 0.73 0.00 -0.50 0.00 0.00 175.29 175.73 2ksq s ALA 157 N -0.05 3.47 0.24 1.58 0.00 -1.26 -0.89 121.76 124.85 2ksq s ALA 157 Ca 0.01 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2ksq s ALA 157 Cb -0.05 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 2ksq s ALA 157 CO -0.00 -1.35 0.01 0.95 0.00 0.00 0.00 175.76 175.37 2ksq s THR 158 N 2.93 1.03 -0.27 0.00 -4.23 -1.14 -4.87 115.64 109.08 2ksq s THR 158 Ca 0.29 -2.03 -0.00 0.00 -1.18 0.00 0.00 61.69 58.77 2ksq s THR 158 Cb -0.14 -2.42 0.08 0.00 1.34 0.00 0.00 72.50 71.37 2ksq s THR 158 CO 0.15 -0.26 0.05 0.00 -0.54 0.00 0.00 174.62 174.02 2ksq h ALA 160 N 8.05 0.91 -0.93 0.00 0.00 -1.93 0.94 119.26 126.29 2ksq h ALA 160 Ca -0.14 -0.45 0.21 0.00 0.00 0.00 0.00 54.91 54.52 2ksq h ALA 160 Cb 1.05 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 2ksq h ALA 160 CO 0.44 0.64 0.61 0.00 0.00 0.00 0.00 179.25 180.94 2ksq h THR 161 N 0.36 0.67 0.00 0.00 1.03 -1.98 -3.02 112.91 109.98 2ksq h THR 161 Ca 0.03 -0.16 -0.29 0.00 -0.01 0.00 0.00 66.41 65.97 2ksq h THR 161 Cb 0.92 0.16 -0.05 0.00 -1.07 0.00 0.00 68.15 68.11 2ksq h THR 161 CO 0.08 0.09 -2.07 -1.20 -0.01 0.00 0.00 175.52 172.40 2ksq n SER 162 N -4.56 2.29 0.00 0.00 7.64 -1.14 -4.77 113.62 113.08 2ksq n SER 162 Ca 0.20 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2ksq n SER 162 Cb 0.69 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 2.41 0.90 3.76 0.23 0.00 0.33 -4.93 105.19 107.89 2ksq n GLY 163 Ca -0.34 0.00 -0.40 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 -0.74 4.56 0.00 1.61 2.02 -1.14 -3.14 118.70 121.86 2ksq s GLU 164 Ca 0.00 1.93 0.00 0.00 0.02 0.00 0.00 54.97 56.92 2ksq s GLU 164 Cb 0.00 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 31.07 2ksq s GLU 164 CO 0.00 0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.78 2ksq n GLY 165 N 1.09 3.06 0.32 -1.39 0.00 -1.26 -3.01 105.19 103.99 2ksq n GLY 165 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 2ksq n GLY 165 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ksq h LEU 166 N 0.00 0.78 -0.58 0.99 7.12 -1.89 -2.53 115.31 119.21 2ksq h LEU 166 Ca 0.00 -0.09 -0.04 0.00 0.13 0.00 0.00 57.88 57.88 2ksq h LEU 166 Cb 0.00 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 39.91 2ksq h LEU 166 CO 0.00 0.69 0.22 1.88 -0.13 0.00 0.00 178.44 181.10 2ksq h TYR 167 N 0.85 0.89 -0.91 1.25 -1.99 -1.89 -2.76 116.97 112.41 2ksq h TYR 167 Ca 0.20 -0.07 0.04 0.00 2.00 0.00 0.00 58.73 60.90 2ksq h TYR 167 Cb 0.15 -0.26 -0.05 0.00 2.00 0.00 0.00 36.73 38.56 2ksq h TYR 167 CO 0.01 0.72 0.59 0.93 -0.00 0.00 0.00 178.16 180.41 2ksq h GLU 168 N 0.80 1.08 -0.40 4.88 5.08 -1.85 -2.15 114.58 122.01 2ksq h GLU 168 Ca 0.19 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2ksq h GLU 168 Cb 0.22 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2ksq h GLU 168 CO -0.01 0.71 0.23 0.78 -1.00 0.00 0.00 179.01 179.72 2ksq h GLY 169 N 1.11 0.58 1.94 -3.84 0.00 -1.28 -0.14 103.07 101.44 2ksq h GLY 169 Ca 0.37 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 2ksq h GLY 169 CO -0.12 0.24 -0.23 -2.00 0.00 0.00 0.00 176.54 174.43 2ksq h LEU 170 N 0.52 0.07 -0.34 3.11 7.12 -1.38 -2.29 115.31 122.11 2ksq h LEU 170 Ca 0.14 -0.02 -0.19 0.00 0.13 0.00 0.00 57.88 57.94 2ksq h LEU 170 Cb 0.01 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.12 2ksq h LEU 170 CO -0.03 0.31 -0.79 -0.08 -0.13 0.00 0.00 178.44 177.72 2ksq h GLU 171 N 0.07 0.37 -0.20 1.25 4.81 -0.79 -2.36 114.58 117.72 2ksq h GLU 171 Ca 0.01 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 58.86 2ksq h GLU 171 Cb 0.45 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2ksq h GLU 171 CO 0.03 0.99 -0.07 -1.49 -0.73 0.00 0.00 179.01 177.74 2ksq h TRP 172 N 0.23 0.47 0.34 0.92 -0.00 -0.62 -2.60 115.95 114.70 2ksq h TRP 172 Ca -0.04 -0.11 -0.02 0.00 -0.00 0.00 0.00 58.89 58.72 2ksq h TRP 172 Cb 1.39 -0.11 0.00 0.00 -0.00 0.00 0.00 29.16 30.44 2ksq h TRP 172 CO 0.04 0.68 -0.16 1.25 -0.00 0.00 0.00 178.44 180.25 2ksq h LEU 173 N 0.12 -0.39 -1.75 -4.49 5.85 -1.48 -2.65 115.31 110.53 2ksq h LEU 173 Ca 0.05 -0.08 0.23 0.00 0.84 0.00 0.00 57.88 58.92 2ksq h LEU 173 Cb 0.54 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 2ksq h LEU 173 CO 0.02 -0.16 0.60 0.77 -0.34 0.00 0.00 178.44 179.34 2ksq h SER 174 N -0.61 0.20 0.50 1.25 4.64 -1.47 0.50 113.55 118.57 2ksq h SER 174 Ca -0.05 0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.12 2ksq h SER 174 Cb 0.44 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2ksq h SER 174 CO 0.08 0.08 -0.78 0.78 -0.87 0.00 0.00 176.83 176.12 2ksq h ASN 175 N 0.20 0.26 0.22 4.97 4.21 -1.23 -3.07 115.58 121.14 2ksq h ASN 175 Ca 0.44 -0.19 -0.05 0.00 1.21 0.00 0.00 56.30 57.72 2ksq h ASN 175 Cb 1.40 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 38.52 2ksq h ASN 175 CO -0.10 0.94 -0.23 0.00 -1.29 0.00 0.00 177.43 176.75 2ksq h LEU 177 N 0.01 0.00 -1.38 0.00 3.38 -1.58 -3.35 115.31 112.40 2ksq h LEU 177 Ca -0.00 -0.20 0.13 0.00 0.09 0.00 0.00 57.88 57.90 2ksq h LEU 177 Cb 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 2ksq h LEU 177 CO 0.03 0.89 0.54 0.50 0.09 0.00 0.00 178.44 180.49 2ksq h LYS 178 N -1.00 0.62 -0.96 1.13 3.64 -1.62 -0.55 116.57 117.83 2ksq h LYS 178 Ca -0.08 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.36 2ksq h LYS 178 Cb 0.63 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.24 2ksq h LYS 178 CO -0.05 0.41 0.61 -0.91 -2.27 0.00 0.00 179.45 177.25 2ksq h ASN 179 N 0.64 0.91 -3.91 4.20 -0.26 -1.47 -3.49 115.58 112.20 2ksq h ASN 179 Ca 0.40 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 56.17 2ksq h ASN 179 Cb 0.66 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 2ksq h ASN 179 CO -0.16 0.53 -0.92 -1.54 -1.06 0.00 0.00 177.43 174.28 2ksq n SER 180 N -4.55 -8.16 0.00 5.81 3.41 -0.22 -5.11 113.62 104.80 2ksq n SER 180 Ca 0.16 1.68 0.04 0.00 -0.26 0.00 0.00 58.87 60.49 2ksq n SER 180 Cb 0.29 -4.79 0.22 0.00 -0.26 0.00 0.00 64.21 59.68 2ksq n SER 180 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23