#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 0.16 -0.29 0.99 4.07 -2.05 -2.30 115.31 115.89 2ksq h LEU 3 Ca 0.00 -0.47 -0.08 0.00 0.08 0.00 0.00 57.88 57.41 2ksq h LEU 3 Cb 0.00 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 2ksq h LEU 3 CO 0.00 0.60 -0.13 0.15 -1.08 0.00 0.00 178.44 177.98 2ksq h PHE 4 N -0.28 0.69 0.52 1.13 3.57 -2.06 -2.82 116.94 117.70 2ksq h PHE 4 Ca 0.01 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 2ksq h PHE 4 Cb 0.55 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2ksq h PHE 4 CO 0.09 0.83 -0.42 0.00 -2.23 0.00 0.00 178.31 176.58 2ksq h ALA 5 N 0.76 -0.98 -0.81 2.41 0.00 -2.00 -1.28 119.26 117.36 2ksq h ALA 5 Ca 0.07 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 54.97 2ksq h ALA 5 Cb 0.64 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2ksq h ALA 5 CO 0.04 -1.08 0.54 1.03 0.00 0.00 0.00 179.25 179.78 2ksq h SER 6 N -0.93 0.39 0.06 0.00 0.87 -1.48 -1.58 113.55 110.89 2ksq h SER 6 Ca -0.06 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2ksq h SER 6 Cb 0.79 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2ksq h SER 6 CO -0.01 0.19 -0.03 0.50 -0.53 0.00 0.00 176.83 176.95 2ksq h LYS 7 N 0.41 -0.08 -0.49 2.24 3.64 -1.17 -2.40 116.57 118.72 2ksq h LYS 7 Ca 0.40 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.93 2ksq h LYS 7 Cb 0.96 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 2ksq h LYS 7 CO -0.14 0.27 0.40 -0.07 -2.27 0.00 0.00 179.45 177.64 2ksq h LEU 8 N -0.45 0.00 -0.18 5.20 -0.00 -0.28 0.20 115.31 119.80 2ksq h LEU 8 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.65 2ksq h LEU 8 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 2ksq h LEU 8 CO 0.01 0.00 -0.95 0.15 -0.00 0.00 0.00 178.44 177.65 2ksq h PHE 9 N 0.00 0.39 -0.47 1.13 3.04 -1.20 -3.24 116.94 116.60 2ksq h PHE 9 Ca 0.23 -0.23 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 2ksq h PHE 9 Cb 1.02 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 2ksq h PHE 9 CO 0.00 1.07 0.24 0.77 -2.02 0.00 0.00 178.31 178.37 2ksq h SER 10 N 0.13 0.57 0.19 0.41 0.02 -0.09 -1.42 113.55 113.36 2ksq h SER 10 Ca -0.07 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2ksq h SER 10 Cb 1.61 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 64.00 2ksq h SER 10 CO 0.15 0.48 -0.07 0.78 -1.14 0.00 0.00 176.83 177.03 2ksq h ASN 11 N 0.65 0.00 0.72 3.07 2.35 -1.53 -1.51 115.58 119.32 2ksq h ASN 11 Ca 0.17 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.75 2ksq h ASN 11 Cb 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2ksq h ASN 11 CO -0.02 0.07 -0.79 0.25 -1.65 0.00 0.00 177.43 175.29 2ksq h LEU 12 N 0.00 0.06 -3.58 1.61 7.12 -1.39 -2.89 115.31 116.25 2ksq h LEU 12 Ca -0.00 -0.05 -0.32 0.00 0.13 0.00 0.00 57.88 57.64 2ksq h LEU 12 Cb 0.19 -0.02 -0.19 0.00 -0.53 0.00 0.00 40.66 40.11 2ksq h LEU 12 CO 0.01 0.82 0.12 0.49 -0.13 0.00 0.00 178.44 179.75 2ksq n PHE 13 N -3.64 1.81 0.00 1.25 3.01 -0.64 -4.60 117.46 114.65 2ksq n PHE 13 Ca -0.01 -1.80 0.00 0.00 1.01 0.00 0.00 57.45 56.64 2ksq n PHE 13 Cb 0.75 -0.66 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 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 -1.10 0.00 3.77 1.37 0.00 -0.77 -5.03 105.19 103.43 2ksq n GLY 14 Ca 0.43 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.94 5.37 -0.19 1.61 3.04 -1.09 -5.09 114.94 113.66 2ksq s ASN 15 Ca 0.00 -0.17 -0.04 0.00 0.04 0.00 0.00 52.86 52.69 2ksq s ASN 15 Cb 0.00 -1.36 0.09 0.00 -1.54 0.00 0.00 41.25 38.44 2ksq s ASN 15 CO 0.00 0.08 0.27 -0.54 -3.04 0.00 0.00 177.10 173.87 2ksq s LYS 16 N -3.00 0.21 -0.04 0.43 1.02 -1.26 -4.79 119.74 112.31 2ksq s LYS 16 Ca 0.30 0.43 -0.02 0.00 0.02 0.00 0.00 55.97 56.70 2ksq s LYS 16 Cb -0.10 -0.71 0.03 0.00 -0.52 0.00 0.00 37.83 36.52 2ksq s LYS 16 CO 0.22 -0.55 0.10 -1.83 -0.92 0.00 0.00 175.35 172.37 2ksq s GLU 17 N 2.40 0.06 0.02 1.68 -1.05 -1.26 0.10 118.70 120.65 2ksq s GLU 17 Ca 0.06 0.24 0.01 0.00 -0.15 0.00 0.00 54.97 55.13 2ksq s GLU 17 Cb -0.15 -0.13 -0.04 0.00 -0.44 0.00 0.00 34.13 33.38 2ksq s GLU 17 CO -0.12 -0.12 0.08 1.41 0.95 0.00 0.00 175.26 177.46 2ksq s MET 18 N 0.80 3.01 -0.26 -4.83 1.75 -0.90 -4.88 119.30 113.99 2ksq s MET 18 Ca -0.06 -0.55 -0.11 0.00 -1.25 0.00 0.00 55.69 53.72 2ksq s MET 18 Cb -0.09 -2.82 -0.05 0.00 2.84 0.00 0.00 34.83 34.72 2ksq s MET 18 CO -0.03 0.62 0.17 1.03 -0.65 0.00 0.00 175.02 176.16 2ksq s ARG 19 N -1.94 3.98 0.09 4.11 3.00 -1.26 -1.18 118.95 125.76 2ksq s ARG 19 Ca 0.25 -0.31 0.05 0.00 0.00 0.00 0.00 55.73 55.72 2ksq s ARG 19 Cb -0.12 -3.60 -0.03 0.00 0.00 0.00 0.00 34.95 31.19 2ksq s ARG 19 CO 0.16 -0.10 -0.12 0.42 0.00 0.00 0.00 175.30 175.66 2ksq s ILE 20 N 1.51 1.09 0.01 1.52 1.09 0.13 0.59 121.20 127.15 2ksq s ILE 20 Ca 0.07 -1.53 0.03 0.00 -1.10 0.00 0.00 60.65 58.12 2ksq s ILE 20 Cb -0.15 -1.28 -0.01 0.00 -1.06 0.00 0.00 42.46 39.95 2ksq s ILE 20 CO 0.08 -0.40 -0.10 -0.22 -0.10 0.00 0.00 174.94 174.21 2ksq s LEU 21 N -2.19 2.10 -0.34 2.97 2.96 -1.15 -2.12 118.68 120.92 2ksq s LEU 21 Ca 0.03 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.57 2ksq s LEU 21 Cb -0.06 -0.42 0.03 0.00 0.50 0.00 0.00 46.19 46.24 2ksq s LEU 21 CO 0.02 0.03 0.13 -0.32 -1.32 0.00 0.00 176.35 174.88 2ksq s MET 22 N -0.68 2.72 0.00 1.98 1.75 0.23 -0.68 119.30 124.62 2ksq s MET 22 Ca 0.00 -1.12 0.07 0.00 -1.25 0.00 0.00 55.69 53.39 2ksq s MET 22 Cb -0.06 -3.52 -0.02 0.00 2.84 0.00 0.00 34.83 34.08 2ksq s MET 22 CO 0.00 -0.65 -0.20 0.08 -0.65 0.00 0.00 175.02 173.60 2ksq s VAL 23 N 1.45 1.62 -2.08 10.11 1.01 -1.04 -2.74 120.40 128.73 2ksq s VAL 23 Ca -0.00 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2ksq s VAL 23 Cb -0.19 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.83 2ksq s VAL 23 CO 0.04 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.13 2ksq n GLY 24 N 2.38 -1.30 3.76 4.51 0.00 -1.26 -2.74 105.19 110.54 2ksq n GLY 24 Ca -0.16 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 2.49 0.00 0.99 1.43 -1.26 -3.94 118.68 118.38 2ksq s LEU 25 Ca 0.00 1.46 0.24 0.00 -1.03 0.00 0.00 54.13 54.79 2ksq s LEU 25 Cb 0.00 -3.99 1.41 0.00 0.03 0.00 0.00 46.19 43.64 2ksq s LEU 25 CO 0.00 -2.30 1.78 -0.90 0.23 0.00 0.00 176.35 175.16 2ksq n ASP 26 N -3.66 0.00 0.00 2.29 5.68 0.39 -3.23 116.55 118.02 2ksq n ASP 26 Ca 0.07 -0.72 0.00 0.00 -0.50 0.00 0.00 54.79 53.64 2ksq n ASP 26 Cb 0.55 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 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 0.49 -0.15 0.15 6.12 0.00 -1.26 -4.83 105.19 105.70 2ksq n GLY 27 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 2ksq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ksq h ALA 28 N 0.00 -0.27 0.00 4.61 0.00 -1.88 -3.48 119.26 118.24 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 0.37 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ksq h ALA 28 CO 0.00 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.16 2ksq n GLY 29 N -0.38 0.75 0.31 0.00 0.00 -1.26 -4.78 105.19 99.83 2ksq n GLY 29 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 1.02 -0.50 1.61 1.57 -1.93 -2.83 116.57 115.52 2ksq h LYS 30 Ca 0.00 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.40 2ksq h LYS 30 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2ksq h LYS 30 CO 0.00 0.99 -0.01 1.79 -0.57 0.00 0.00 179.45 181.65 2ksq h THR 31 N 0.94 1.25 0.25 -0.16 1.35 -1.96 -1.77 112.91 112.81 2ksq h THR 31 Ca 0.17 -1.04 -0.01 0.00 -0.55 0.00 0.00 66.41 64.98 2ksq h THR 31 Cb 0.52 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2ksq h THR 31 CO 0.02 0.37 -0.12 0.74 -0.25 0.00 0.00 175.52 176.28 2ksq h THR 32 N 0.78 0.76 0.10 6.82 2.02 -1.85 -2.21 112.91 119.32 2ksq h THR 32 Ca 0.15 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 2ksq h THR 32 Cb 0.48 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2ksq h THR 32 CO 0.02 0.01 -0.05 0.58 0.37 0.00 0.00 175.52 176.46 2ksq h VAL 33 N -0.36 1.11 -0.74 3.16 2.07 -1.50 -1.45 116.25 118.54 2ksq h VAL 33 Ca -0.03 -0.85 0.13 0.00 0.82 0.00 0.00 66.70 66.77 2ksq h VAL 33 Cb 0.28 1.64 -0.09 0.00 -1.52 0.00 0.00 31.29 31.60 2ksq h VAL 33 CO 0.06 0.20 0.30 0.25 0.02 0.00 0.00 177.57 178.40 2ksq h LEU 34 N -0.53 0.30 -0.25 2.57 5.85 -1.38 0.35 115.31 122.21 2ksq h LEU 34 Ca -0.01 0.10 -0.19 0.00 0.84 0.00 0.00 57.88 58.62 2ksq h LEU 34 Cb 0.44 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2ksq h LEU 34 CO 0.02 0.12 -0.88 1.88 -0.34 0.00 0.00 178.44 179.25 2ksq h TYR 35 N 0.46 0.03 -0.12 1.25 0.05 -1.44 -2.26 116.97 114.93 2ksq h TYR 35 Ca 0.40 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 59.11 2ksq h TYR 35 Cb 0.58 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.32 2ksq h TYR 35 CO -0.16 0.88 -0.13 -0.22 -1.05 0.00 0.00 178.16 177.48 2ksq h LYS 36 N 0.01 0.31 0.00 4.88 1.63 -0.12 0.91 116.57 124.19 2ksq h LYS 36 Ca -0.01 -0.17 -0.10 0.00 -0.85 0.00 0.00 60.65 59.52 2ksq h LYS 36 Cb 1.55 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.17 2ksq h LYS 36 CO 0.12 0.72 -0.47 1.25 -3.45 0.00 0.00 179.45 177.61 2ksq h LEU 37 N -0.09 0.00 0.13 5.20 6.46 -1.07 0.95 115.31 126.88 2ksq h LEU 37 Ca 0.02 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.42 2ksq h LEU 37 Cb 0.67 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 2ksq h LEU 37 CO 0.03 0.47 -1.90 0.50 -0.62 0.00 0.00 178.44 176.93 2ksq h LYS 38 N 0.00 0.28 0.00 1.25 3.11 -1.37 -3.39 116.57 116.44 2ksq h LYS 38 Ca -0.00 -0.47 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 2ksq h LYS 38 Cb 1.10 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.50 2ksq h LYS 38 CO 0.06 1.18 -1.28 -0.11 -2.81 0.00 0.00 179.45 176.49 2ksq n LEU 39 N -3.47 0.42 0.00 5.20 7.94 0.32 -4.98 117.00 122.42 2ksq n LEU 39 Ca -0.28 -0.26 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 0.45 0.10 0.00 0.61 -1.11 0.00 0.00 177.39 177.45 2ksq n GLY 40 N 1.45 1.71 2.99 -3.96 0.00 0.33 -4.98 105.19 102.73 2ksq n GLY 40 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2ksq n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ksq s GLU 41 N -0.01 0.40 0.04 1.61 2.12 -1.24 -4.96 118.70 116.66 2ksq s GLU 41 Ca 0.00 -0.45 -0.29 0.00 0.36 0.00 0.00 54.97 54.59 2ksq s GLU 41 Cb 0.00 -0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.09 2ksq s GLU 41 CO 0.00 0.06 0.94 0.08 -0.54 0.00 0.00 175.26 175.79 2ksq s VAL 42 N -0.78 4.75 0.42 3.70 1.01 -1.26 -4.02 120.40 124.22 2ksq s VAL 42 Ca -0.05 1.99 0.06 0.00 0.00 0.00 0.00 61.98 63.97 2ksq s VAL 42 Cb -0.06 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 31.97 2ksq s VAL 42 CO -0.00 0.23 0.01 0.27 0.00 0.00 0.00 175.10 175.62 2ksq s ILE 43 N 0.58 1.81 -0.07 2.22 -5.25 -1.26 -5.09 121.20 114.15 2ksq s ILE 43 Ca 0.48 -2.00 -0.30 0.00 -0.99 0.00 0.00 60.65 57.85 2ksq s ILE 43 Cb -0.21 -2.86 -0.06 0.00 2.95 0.00 0.00 42.46 42.28 2ksq s ILE 43 CO 0.27 0.00 1.71 -0.89 -1.79 0.00 0.00 174.94 174.24 2ksq s THR 44 N -2.78 3.51 0.15 8.37 2.01 -1.26 -4.90 115.64 120.74 2ksq s THR 44 Ca 0.31 0.61 -0.08 0.00 0.31 0.00 0.00 61.69 62.83 2ksq s THR 44 Cb 0.09 -3.41 -0.06 0.00 0.01 0.00 0.00 72.50 69.12 2ksq s THR 44 CO 0.16 -0.08 0.44 0.42 -0.69 0.00 0.00 174.62 174.86 2ksq s THR 45 N 4.37 5.07 0.17 -0.82 -4.23 -1.26 -5.07 115.64 113.87 2ksq s THR 45 Ca 0.76 0.31 -0.10 0.00 -1.18 0.00 0.00 61.69 61.48 2ksq s THR 45 Cb -0.33 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 69.87 2ksq s THR 45 CO 0.31 0.09 0.31 0.27 -0.54 0.00 0.00 174.62 175.06 2ksq s ILE 46 N -1.62 0.06 -0.30 2.99 -0.00 -1.26 -5.10 121.20 115.96 2ksq s ILE 46 Ca 0.40 -1.35 -0.30 0.00 -0.00 0.00 0.00 60.65 59.41 2ksq s ILE 46 Cb -0.12 -1.85 -0.07 0.00 -0.00 0.00 0.00 42.46 40.42 2ksq s ILE 46 CO 0.22 -0.26 2.25 -2.65 -0.00 0.00 0.00 174.94 174.50 2ksq n PRO 47 N -0.23 1.59 -3.32 0.37 -0.02 -1.26 -4.93 135.00 127.19 2ksq n PRO 47 Ca -0.07 0.39 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 2ksq n PRO 47 Cb 0.63 -3.05 -0.07 0.00 -0.02 0.00 0.00 33.50 30.98 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 8.67 5.15 -0.42 3.45 -1.32 -1.26 -5.04 115.64 124.86 2ksq s THR 48 Ca 1.03 0.79 -0.03 0.00 -1.21 0.00 0.00 61.69 62.27 2ksq s THR 48 Cb -0.45 -3.77 0.11 0.00 -1.51 0.00 0.00 72.50 66.88 2ksq s THR 48 CO 0.37 0.19 0.22 -0.63 -2.21 0.00 0.00 174.62 172.57 2ksq s ILE 49 N 1.68 3.36 -0.35 5.08 1.01 -1.26 -3.76 121.20 126.95 2ksq s ILE 49 Ca 0.20 -2.09 0.00 0.00 0.00 0.00 0.00 60.65 58.76 2ksq s ILE 49 Cb -0.15 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.03 2ksq s ILE 49 CO 0.09 -0.71 0.00 0.61 0.00 0.00 0.00 174.94 174.93 2ksq n GLY 50 N 4.55 0.45 3.09 6.18 0.00 -1.26 -4.97 105.19 113.23 2ksq n GLY 50 Ca -0.02 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.56 0.65 -0.19 1.61 -0.71 -1.26 -1.73 117.98 112.79 2ksq s PHE 51 Ca 0.00 -0.79 -0.04 0.00 -1.04 0.00 0.00 56.93 55.06 2ksq s PHE 51 Cb 0.00 -0.41 0.09 0.00 -1.21 0.00 0.00 43.02 41.49 2ksq s PHE 51 CO 0.00 -0.20 0.27 -0.80 -1.34 0.00 0.00 175.22 173.15 2ksq s ASN 52 N -2.42 0.79 0.32 1.98 0.01 -0.78 -4.94 114.94 109.91 2ksq s ASN 52 Ca 0.01 0.16 -0.18 0.00 -0.71 0.00 0.00 52.86 52.14 2ksq s ASN 52 Cb -0.00 0.64 -0.09 0.00 0.41 0.00 0.00 41.25 42.21 2ksq s ASN 52 CO -0.04 -0.29 0.78 0.54 -1.51 0.00 0.00 177.10 176.58 2ksq s VAL 53 N 2.40 4.58 -0.10 1.60 0.11 -1.26 0.22 120.40 127.95 2ksq s VAL 53 Ca 0.06 1.16 -0.02 0.00 -2.93 0.00 0.00 61.98 60.25 2ksq s VAL 53 Cb -0.14 -3.68 0.04 0.00 -1.53 0.00 0.00 36.38 31.06 2ksq s VAL 53 CO -0.12 -0.12 0.02 -1.61 -3.33 0.00 0.00 175.10 169.94 2ksq s GLU 54 N -2.77 0.56 -0.41 1.54 8.01 -0.56 -4.93 118.70 120.14 2ksq s GLU 54 Ca 0.53 0.00 -0.19 0.00 0.01 0.00 0.00 54.97 55.32 2ksq s GLU 54 Cb -0.12 -1.23 0.01 0.00 -4.31 0.00 0.00 34.13 28.48 2ksq s GLU 54 CO 0.18 -0.39 0.55 0.00 0.01 0.00 0.00 175.26 175.61 2ksq s VAL 56 N 2.52 1.17 -0.23 0.00 -7.23 -0.88 -5.03 120.40 110.72 2ksq s VAL 56 Ca 0.19 -0.72 -0.13 0.00 -1.81 0.00 0.00 61.98 59.51 2ksq s VAL 56 Cb -0.15 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 2ksq s VAL 56 CO 0.16 0.27 0.27 -1.10 -0.31 0.00 0.00 175.10 174.38 2ksq s GLN 57 N -0.52 4.10 -0.10 4.82 -0.21 -1.26 -0.89 119.66 125.59 2ksq s GLN 57 Ca 0.05 -0.07 -0.03 0.00 0.02 0.00 0.00 55.36 55.32 2ksq s GLN 57 Cb -0.06 -3.55 0.05 0.00 1.00 0.00 0.00 33.01 30.45 2ksq s GLN 57 CO -0.00 -0.02 0.13 0.71 -2.12 0.00 0.00 175.29 174.00 2ksq s TYR 58 N 1.27 -0.08 -1.35 0.91 2.02 0.63 -4.88 117.35 115.88 2ksq s TYR 58 Ca 0.12 0.32 -0.07 0.00 -0.37 0.00 0.00 57.07 57.08 2ksq s TYR 58 Cb -0.14 -0.40 0.02 0.00 -0.40 0.00 0.00 41.96 41.04 2ksq s TYR 58 CO 0.07 -0.34 1.06 0.00 -1.57 0.00 0.00 175.55 174.77 2ksq n ASN 60 N -3.02 0.00 -4.88 0.00 2.85 -1.26 -5.00 115.26 103.95 2ksq n ASN 60 Ca -0.08 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.13 2ksq n ASN 60 Cb 0.59 -0.57 -0.04 0.00 1.24 0.00 0.00 39.78 41.00 2ksq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2ksq s ILE 61 N -3.25 4.94 -0.82 -1.44 1.01 -0.26 -4.56 121.20 116.82 2ksq s ILE 61 Ca 0.00 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.67 2ksq s ILE 61 Cb 0.00 -3.56 0.21 0.00 0.01 0.00 0.00 42.46 39.12 2ksq s ILE 61 CO 0.00 -0.14 0.72 -0.55 0.00 0.00 0.00 174.94 174.98 2ksq s SER 62 N -3.29 6.21 -0.18 3.58 0.15 0.28 -0.27 113.70 120.18 2ksq s SER 62 Ca 0.33 -3.11 -0.29 0.00 0.70 0.00 0.00 55.95 53.58 2ksq s SER 62 Cb -0.10 -2.04 -0.01 0.00 -1.71 0.00 0.00 66.02 62.16 2ksq s SER 62 CO 0.26 -0.38 1.21 -0.36 1.20 0.00 0.00 173.24 175.17 2ksq s PHE 63 N -0.46 2.96 -0.34 3.44 0.40 -0.07 -2.11 117.98 121.81 2ksq s PHE 63 Ca 0.22 1.11 -0.10 0.00 -0.60 0.00 0.00 56.93 57.56 2ksq s PHE 63 Cb -0.13 -3.45 0.01 0.00 0.51 0.00 0.00 43.02 39.96 2ksq s PHE 63 CO -0.08 -1.42 0.18 0.99 0.70 0.00 0.00 175.22 175.58 2ksq s THR 64 N 3.42 4.59 -0.32 0.64 2.01 -0.32 -2.08 115.64 123.58 2ksq s THR 64 Ca 0.52 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.93 2ksq s THR 64 Cb -0.20 -3.43 0.07 0.00 0.01 0.00 0.00 72.50 68.95 2ksq s THR 64 CO 0.13 -0.06 0.01 0.68 -0.69 0.00 0.00 174.62 174.69 2ksq s VAL 65 N 1.59 2.68 -0.12 3.82 -7.23 -0.76 0.21 120.40 120.59 2ksq s VAL 65 Ca 0.04 -1.76 -0.17 0.00 -1.81 0.00 0.00 61.98 58.28 2ksq s VAL 65 Cb -0.18 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 2ksq s VAL 65 CO 0.06 -0.28 0.43 0.26 -0.31 0.00 0.00 175.10 175.27 2ksq s TRP 66 N 1.12 3.52 -0.33 2.82 0.52 -0.90 -1.49 118.94 124.21 2ksq s TRP 66 Ca -0.01 0.84 -0.04 0.00 0.02 0.00 0.00 56.10 56.92 2ksq s TRP 66 Cb -0.20 -2.49 0.05 0.00 -1.15 0.00 0.00 33.47 29.68 2ksq s TRP 66 CO -0.04 0.22 0.06 0.34 0.02 0.00 0.00 176.95 177.56 2ksq s ASP 67 N 0.44 5.10 0.04 2.95 2.15 0.13 0.75 116.67 128.22 2ksq s ASP 67 Ca 0.24 -1.30 -0.12 0.00 0.43 0.00 0.00 52.55 51.80 2ksq s ASP 67 Cb -0.15 -1.79 -0.06 0.00 -0.30 0.00 0.00 42.92 40.63 2ksq s ASP 67 CO 0.09 -0.32 0.39 -0.69 -0.17 0.00 0.00 175.17 174.48 2ksq s VAL 68 N 1.30 5.09 0.52 1.11 1.01 -1.11 -1.87 120.40 126.46 2ksq s VAL 68 Ca -0.02 0.60 -0.20 0.00 0.00 0.00 0.00 61.98 62.35 2ksq s VAL 68 Cb -0.20 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 2ksq s VAL 68 CO 0.00 0.43 0.77 0.61 0.00 0.00 0.00 175.10 176.90 2ksq n GLY 69 N 1.34 -0.86 2.44 4.51 0.00 -0.71 -4.71 105.19 107.20 2ksq n GLY 69 Ca -0.11 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 1.50 4.25 3.26 -0.02 0.00 -1.25 -4.74 105.19 108.19 2ksq n GLY 70 Ca 0.12 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 2ksq n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ksq s GLN 71 N -1.37 3.25 0.27 1.61 -1.52 -1.26 -0.46 119.66 120.18 2ksq s GLN 71 Ca 0.60 -0.71 -0.00 0.00 -1.95 0.00 0.00 55.36 53.29 2ksq s GLN 71 Cb 0.37 -2.76 0.58 0.00 -0.22 0.00 0.00 33.01 30.97 2ksq s GLN 71 CO -0.19 -0.09 1.73 0.22 -0.25 0.00 0.00 175.29 176.70 2ksq h ASP 72 N 7.68 0.38 -0.28 5.90 3.58 -1.95 0.88 116.42 132.61 2ksq h ASP 72 Ca -0.38 0.12 0.04 0.00 0.42 0.00 0.00 57.03 57.23 2ksq h ASP 72 Cb 1.17 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 42.26 2ksq h ASP 72 CO 0.60 0.10 0.05 -0.09 -2.88 0.00 0.00 179.24 177.02 2ksq h ARG 73 N 0.49 0.15 -0.00 0.28 1.12 -1.99 -1.89 114.38 112.54 2ksq h ARG 73 Ca 0.48 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.35 2ksq h ARG 73 Cb 0.79 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.72 2ksq h ARG 73 CO -0.44 0.10 -0.21 0.44 -3.11 0.00 0.00 179.97 176.74 2ksq n ILE 74 N -5.10 0.00 -0.11 1.20 -5.35 -0.47 -4.04 119.36 105.49 2ksq n ILE 74 Ca -0.00 -0.05 0.27 0.00 -0.27 0.00 0.00 62.75 62.69 2ksq n ILE 74 Cb 0.13 0.03 0.72 0.00 -1.74 0.00 0.00 39.64 38.77 2ksq n ILE 74 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2ksq h ARG 75 N 0.49 0.00 -0.07 6.28 1.12 0.16 0.22 114.38 122.57 2ksq h ARG 75 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.89 2ksq h ARG 75 Cb 0.44 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.40 2ksq h ARG 75 CO 0.00 0.00 0.14 1.03 -3.11 0.00 0.00 179.97 178.03 2ksq h SER 76 N 0.00 0.00 0.48 -3.80 0.87 -1.72 -0.17 113.55 109.22 2ksq h SER 76 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2ksq h SER 76 Cb 1.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 2ksq h SER 76 CO -0.00 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.48 2ksq n LEU 77 N -3.44 0.00 0.14 2.23 4.32 0.77 -3.34 117.00 117.67 2ksq n LEU 77 Ca -0.01 0.32 -0.01 0.00 -0.02 0.00 0.00 56.01 56.29 2ksq n LEU 77 Cb 0.22 -0.32 0.17 0.00 -1.62 0.00 0.00 43.42 41.88 2ksq n LEU 77 CO 0.23 -0.08 0.50 -0.50 -1.22 0.00 0.00 177.39 176.32 2ksq h TRP 78 N 0.00 0.00 -0.55 -1.77 6.55 -1.20 -3.07 115.95 115.91 2ksq h TRP 78 Ca 0.00 0.00 -0.24 0.00 0.95 0.00 0.00 58.89 59.60 2ksq h TRP 78 Cb 0.24 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 28.40 2ksq h TRP 78 CO 0.00 0.61 0.16 2.89 -1.05 0.00 0.00 178.44 181.05 2ksq n ARG 79 N -3.79 2.38 -0.38 0.49 1.85 -1.21 -4.43 116.66 111.57 2ksq n ARG 79 Ca -0.01 -3.08 0.00 0.00 -1.00 0.00 0.00 57.85 53.76 2ksq n ARG 79 Cb 0.61 -1.97 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 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 -0.89 0.00 -0.32 2.89 -0.00 -1.19 -4.91 115.22 110.80 2ksq n HIS 80 Ca 0.39 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.57 2ksq n HIS 80 Cb 1.22 0.10 0.00 0.00 -0.12 0.00 0.00 29.99 31.19 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 0.00 0.00 0.00 1.57 4.01 -1.17 -4.99 117.16 116.58 2ksq n TYR 81 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2ksq n TYR 81 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 2ksq n TYR 81 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2ksq n TYR 82 N -0.17 0.00 -1.63 -0.72 4.19 -1.26 -5.00 117.16 112.56 2ksq n TYR 82 Ca 0.00 0.00 -0.19 0.00 3.31 0.00 0.00 57.90 61.02 2ksq n TYR 82 Cb 0.08 0.12 -0.08 0.00 0.49 0.00 0.00 39.34 39.96 2ksq n TYR 82 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2ksq n ASN 84 N -1.25 -0.80 -4.70 0.00 0.23 -1.26 -5.12 115.26 102.35 2ksq n ASN 84 Ca -0.20 -1.66 -0.42 0.00 -0.53 0.00 0.00 54.58 51.77 2ksq n ASN 84 Cb 0.63 0.24 -0.03 0.00 -2.08 0.00 0.00 39.78 38.54 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 4.70 0.01 5.53 -1.32 -1.26 -4.72 115.64 118.58 2ksq s THR 85 Ca 0.00 1.95 0.02 0.00 -1.21 0.00 0.00 61.69 62.45 2ksq s THR 85 Cb 0.00 -4.25 -0.25 0.00 -1.51 0.00 0.00 72.50 66.49 2ksq s THR 85 CO 0.00 0.11 0.88 -0.08 -2.21 0.00 0.00 174.62 173.32 2ksq h GLU 86 N 6.91 0.15 -1.96 7.08 4.57 -0.20 -3.41 114.58 127.71 2ksq h GLU 86 Ca -0.38 -0.25 0.05 0.00 -1.18 0.00 0.00 59.36 57.60 2ksq h GLU 86 Cb 1.20 0.09 -0.21 0.00 -0.16 0.00 0.00 28.75 29.67 2ksq h GLU 86 CO 0.79 0.96 -0.03 0.20 -1.18 0.00 0.00 179.01 179.76 2ksq s GLY 87 N -4.96 -0.65 0.25 1.92 0.00 -0.45 -2.97 107.32 100.47 2ksq s GLY 87 Ca -0.07 2.43 0.07 0.00 0.00 0.00 0.00 44.72 47.16 2ksq s GLY 87 CO 0.84 2.70 0.20 -1.34 0.00 0.00 0.00 173.10 175.50 2ksq s VAL 88 N 2.16 4.42 -0.13 1.40 -7.23 0.34 -2.91 120.40 118.45 2ksq s VAL 88 Ca -0.08 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 2ksq s VAL 88 Cb -0.08 -3.40 0.02 0.00 0.56 0.00 0.00 36.38 33.47 2ksq s VAL 88 CO -0.19 -0.34 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.45 2ksq s ILE 89 N -2.14 1.71 -0.17 -0.62 1.09 0.14 0.10 121.20 121.31 2ksq s ILE 89 Ca 0.33 -0.75 -0.14 0.00 -1.10 0.00 0.00 60.65 58.99 2ksq s ILE 89 Cb -0.08 -1.55 -0.05 0.00 -1.06 0.00 0.00 42.46 39.72 2ksq s ILE 89 CO 0.25 0.48 0.29 0.12 -0.10 0.00 0.00 174.94 175.98 2ksq s PHE 90 N 1.08 3.44 -0.29 3.97 2.19 0.28 -2.49 117.98 126.16 2ksq s PHE 90 Ca -0.03 0.56 -0.21 0.00 0.33 0.00 0.00 56.93 57.58 2ksq s PHE 90 Cb -0.14 -2.36 -0.01 0.00 -1.31 0.00 0.00 43.02 39.20 2ksq s PHE 90 CO -0.05 0.19 0.67 0.08 1.83 0.00 0.00 175.22 177.94 2ksq s VAL 91 N 0.63 4.92 -0.22 3.12 1.01 -1.11 -2.21 120.40 126.54 2ksq s VAL 91 Ca 0.16 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.16 2ksq s VAL 91 Cb -0.13 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.27 2ksq s VAL 91 CO 0.04 -0.11 -0.13 0.54 0.00 0.00 0.00 175.10 175.44 2ksq s VAL 92 N 2.65 2.36 0.20 2.92 0.11 -1.16 -4.45 120.40 123.03 2ksq s VAL 92 Ca 0.27 -1.15 -0.32 0.00 -2.93 0.00 0.00 61.98 57.85 2ksq s VAL 92 Cb -0.15 -2.17 -0.12 0.00 -1.53 0.00 0.00 36.38 32.41 2ksq s VAL 92 CO 0.11 0.27 1.73 -1.81 -3.33 0.00 0.00 175.10 172.07 2ksq s ASP 93 N 1.25 6.39 -0.11 3.54 1.11 -1.26 0.32 116.67 127.90 2ksq s ASP 93 Ca -0.00 2.86 -0.15 0.00 0.18 0.00 0.00 52.55 55.44 2ksq s ASP 93 Cb -0.16 -2.60 -0.26 0.00 1.07 0.00 0.00 42.92 40.97 2ksq s ASP 93 CO -0.08 -0.97 0.50 0.77 1.18 0.00 0.00 175.17 176.57 2ksq h SER 94 N 6.89 0.36 -0.04 0.27 4.64 -0.63 -3.36 113.55 121.69 2ksq h SER 94 Ca -0.43 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.05 2ksq h SER 94 Cb 1.20 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2ksq h SER 94 CO 0.96 1.65 0.00 -3.20 -0.87 0.00 0.00 176.83 175.37 2ksq n ASN 95 N -3.89 1.42 -3.99 4.97 4.05 -1.26 -2.78 115.26 113.78 2ksq n ASN 95 Ca -0.27 -1.50 -0.36 0.00 0.45 0.00 0.00 54.58 52.90 2ksq n ASN 95 Cb 0.91 -0.02 -0.05 0.00 1.23 0.00 0.00 39.78 41.85 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 0.12 4.60 0.21 1.20 -0.08 -1.26 -4.85 116.55 116.49 2ksq n ASP 96 Ca 0.19 -3.23 0.07 0.00 -1.51 0.00 0.00 54.79 50.31 2ksq n ASP 96 Cb 0.33 -1.05 0.47 0.00 2.34 0.00 0.00 41.12 43.22 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 5.62 0.00 -0.34 -0.67 0.11 -1.85 -2.52 114.38 114.74 2ksq h ARG 97 Ca 0.18 0.00 0.05 0.00 0.10 0.00 0.00 59.98 60.30 2ksq h ARG 97 Cb 0.75 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.79 2ksq h ARG 97 CO 0.95 0.29 0.08 1.03 0.10 0.00 0.00 179.97 182.41 2ksq h SER 98 N 0.00 0.03 0.05 0.08 0.87 -1.98 -2.40 113.55 110.20 2ksq h SER 98 Ca -0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2ksq h SER 98 Cb 0.61 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2ksq h SER 98 CO 0.04 0.05 -0.13 0.54 -0.53 0.00 0.00 176.83 176.80 2ksq n ARG 99 N -5.08 1.53 -0.06 2.24 5.12 -1.18 -4.44 116.66 114.79 2ksq n ARG 99 Ca 0.01 -1.06 0.24 0.00 -1.93 0.00 0.00 57.85 55.11 2ksq n ARG 99 Cb 0.14 -1.48 0.54 0.00 -1.16 0.00 0.00 32.46 30.50 2ksq n ARG 99 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2ksq h ILE 100 N 2.58 0.12 0.04 0.55 1.08 -0.97 0.84 117.51 121.74 2ksq h ILE 100 Ca 0.00 0.00 -0.27 0.00 -0.39 0.00 0.00 64.86 64.20 2ksq h ILE 100 Cb 0.64 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 2ksq h ILE 100 CO 0.00 0.00 -1.40 1.23 -0.69 0.00 0.00 178.15 177.29 2ksq h GLY 101 N 0.00 0.10 0.81 5.37 0.00 -1.78 -3.10 103.07 104.47 2ksq h GLY 101 Ca 0.35 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.43 2ksq h GLY 101 CO -0.00 0.22 -0.14 0.83 0.00 0.00 0.00 176.54 177.44 2ksq h GLU 102 N 0.02 -0.30 -0.63 4.80 4.39 0.39 0.37 114.58 123.62 2ksq h GLU 102 Ca -0.17 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.57 2ksq h GLU 102 Cb 1.93 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.61 2ksq h GLU 102 CO 0.13 -0.20 0.39 0.00 -1.16 0.00 0.00 179.01 178.17 2ksq h ALA 103 N 0.52 0.82 0.27 3.43 0.00 -1.64 0.45 119.26 123.12 2ksq h ALA 103 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2ksq h ALA 103 Cb 0.30 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ksq h ALA 103 CO -0.04 0.15 -0.13 -0.09 0.00 0.00 0.00 179.25 179.13 2ksq h ARG 104 N 0.78 -0.36 -0.73 0.00 1.12 -1.36 -1.91 114.38 111.92 2ksq h ARG 104 Ca 0.25 0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 59.11 2ksq h ARG 104 Cb 0.00 0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.01 2ksq h ARG 104 CO -0.10 -0.24 0.31 0.93 -3.11 0.00 0.00 179.97 177.77 2ksq h GLU 105 N -0.37 1.07 -0.43 0.20 5.08 -0.03 -2.24 114.58 117.86 2ksq h GLU 105 Ca -0.04 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2ksq h GLU 105 Cb 0.29 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2ksq h GLU 105 CO 0.06 0.85 0.16 0.28 -1.00 0.00 0.00 179.01 179.36 2ksq h VAL 106 N 1.05 1.17 -0.22 3.13 2.07 -0.76 -2.49 116.25 120.20 2ksq h VAL 106 Ca 0.25 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2ksq h VAL 106 Cb 0.16 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2ksq h VAL 106 CO -0.03 0.21 0.12 -0.03 0.02 0.00 0.00 177.57 177.86 2ksq h MET 107 N 0.61 0.31 -0.83 1.57 -1.53 -0.74 -2.81 114.93 111.51 2ksq h MET 107 Ca 0.15 -0.04 0.11 0.00 -3.44 0.00 0.00 59.70 56.49 2ksq h MET 107 Cb 0.14 -0.06 -0.08 0.00 -0.55 0.00 0.00 31.60 31.05 2ksq h MET 107 CO -0.01 0.28 0.45 0.37 0.14 0.00 0.00 176.91 178.14 2ksq h GLN 108 N 0.25 0.70 -0.93 0.39 -0.00 -1.22 0.24 115.11 114.54 2ksq h GLN 108 Ca 0.08 -0.04 0.01 0.00 -0.00 0.00 0.00 58.65 58.69 2ksq h GLN 108 Cb 0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 27.48 27.34 2ksq h GLN 108 CO -0.01 0.46 0.61 0.00 0.00 0.00 0.00 178.83 179.89 2ksq h ARG 109 N 0.72 1.22 -0.38 1.69 2.47 -1.34 0.26 114.38 119.03 2ksq h ARG 109 Ca 0.42 -0.08 -0.15 0.00 -1.26 0.00 0.00 59.98 58.91 2ksq h ARG 109 Cb 0.47 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 2ksq h ARG 109 CO -0.29 0.81 -0.35 0.52 0.56 0.00 0.00 179.97 181.22 2ksq h MET 110 N 1.26 0.88 0.00 0.04 2.86 -0.91 -2.73 114.93 116.34 2ksq h MET 110 Ca 0.34 -0.44 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2ksq h MET 110 Cb -0.14 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 2ksq h MET 110 CO -0.07 1.09 -0.16 1.25 1.06 0.00 0.00 176.91 180.08 2ksq h LEU 111 N 0.73 0.00 -0.83 1.22 6.46 0.17 -2.92 115.31 120.13 2ksq h LEU 111 Ca 0.07 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2ksq h LEU 111 Cb 0.93 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 2ksq h LEU 111 CO 0.09 0.16 -0.24 -3.20 -0.62 0.00 0.00 178.44 174.62 2ksq n ASN 112 N -3.28 1.54 -4.69 1.25 5.15 0.86 -4.86 115.26 111.22 2ksq n ASN 112 Ca 0.01 -1.26 -0.41 0.00 -0.60 0.00 0.00 54.58 52.32 2ksq n ASN 112 Cb 0.41 0.18 -0.04 0.00 -0.53 0.00 0.00 39.78 39.81 2ksq n ASN 112 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2ksq s GLU 113 N -2.36 4.42 0.37 1.20 2.12 -1.04 -4.93 118.70 118.48 2ksq s GLU 113 Ca 0.26 1.19 0.08 0.00 0.36 0.00 0.00 54.97 56.86 2ksq s GLU 113 Cb 0.19 -3.51 0.73 0.00 0.26 0.00 0.00 34.13 31.80 2ksq s GLU 113 CO 0.48 -0.17 1.89 0.38 -0.54 0.00 0.00 175.26 177.30 2ksq h ASP 114 N 7.02 0.28 0.69 -1.70 3.04 -1.90 -1.37 116.42 122.47 2ksq h ASP 114 Ca -0.35 -0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.38 2ksq h ASP 114 Cb 1.17 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.39 2ksq h ASP 114 CO 0.80 0.43 0.00 1.21 -2.04 0.00 0.00 179.24 179.64 2ksq n GLU 115 N -4.26 0.13 -0.15 4.15 2.13 -1.26 -2.84 120.64 118.53 2ksq n GLU 115 Ca -0.00 0.34 0.06 0.00 0.66 0.00 0.00 57.16 58.22 2ksq n GLU 115 Cb 0.28 -1.73 0.09 0.00 0.27 0.00 0.00 31.44 30.34 2ksq n GLU 115 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2ksq n LEU 116 N -1.97 1.70 0.00 4.31 7.99 -0.59 -4.71 117.00 123.73 2ksq n LEU 116 Ca 0.03 -2.36 0.12 0.00 -0.01 0.00 0.00 56.01 53.79 2ksq n LEU 116 Cb 0.22 -0.26 0.67 0.00 -0.11 0.00 0.00 43.42 43.94 2ksq n LEU 116 CO 0.18 0.55 0.91 0.00 -1.51 0.00 0.00 177.39 177.52 2ksq n ASN 118 N -1.15 1.04 -4.88 0.00 5.15 -1.26 -5.01 115.26 109.15 2ksq n ASN 118 Ca 0.15 -1.02 -0.33 0.00 -0.60 0.00 0.00 54.58 52.78 2ksq n ASN 118 Cb 0.14 0.49 -0.05 0.00 -0.53 0.00 0.00 39.78 39.83 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ksq s ALA 119 N -1.19 3.69 0.69 5.20 0.00 -1.10 -4.91 121.76 124.14 2ksq s ALA 119 Ca 0.06 -0.40 -0.06 0.00 0.00 0.00 0.00 51.96 51.56 2ksq s ALA 119 Cb 0.06 -2.28 0.06 0.00 0.00 0.00 0.00 23.12 20.96 2ksq s ALA 119 CO 0.20 0.58 1.00 0.00 0.00 0.00 0.00 175.76 177.54 2ksq s ALA 120 N -1.64 3.22 -0.24 0.00 0.00 -1.16 -4.86 121.76 117.08 2ksq s ALA 120 Ca 0.41 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 2ksq s ALA 120 Cb -0.12 -2.56 0.11 0.00 0.00 0.00 0.00 23.12 20.55 2ksq s ALA 120 CO 0.22 -1.26 0.24 -1.58 0.00 0.00 0.00 175.76 173.38 2ksq s TRP 121 N -3.21 -0.31 -0.33 0.00 0.52 -1.16 -0.51 118.94 113.95 2ksq s TRP 121 Ca 0.60 0.01 -0.11 0.00 0.02 0.00 0.00 56.10 56.62 2ksq s TRP 121 Cb -0.11 -0.43 -0.01 0.00 -1.15 0.00 0.00 33.47 31.78 2ksq s TRP 121 CO 0.44 -0.74 0.20 -1.17 0.02 0.00 0.00 176.95 175.70 2ksq s LEU 122 N 2.33 4.38 -0.11 2.99 2.96 0.28 -2.98 118.68 128.53 2ksq s LEU 122 Ca 0.08 -0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 53.32 2ksq s LEU 122 Cb -0.15 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 2ksq s LEU 122 CO -0.22 -0.24 0.30 -0.69 -1.32 0.00 0.00 176.35 174.18 2ksq s VAL 123 N 1.65 5.27 -0.12 1.68 1.01 0.31 0.10 120.40 130.31 2ksq s VAL 123 Ca 0.05 0.57 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 2ksq s VAL 123 Cb -0.17 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.64 2ksq s VAL 123 CO 0.08 0.49 0.02 0.72 0.00 0.00 0.00 175.10 176.41 2ksq s PHE 124 N -0.28 0.71 -0.35 5.22 -0.71 -0.94 -0.12 117.98 121.51 2ksq s PHE 124 Ca 0.18 -0.37 -0.27 0.00 -1.04 0.00 0.00 56.93 55.43 2ksq s PHE 124 Cb -0.14 -0.85 -0.06 0.00 -1.21 0.00 0.00 43.02 40.77 2ksq s PHE 124 CO 0.07 -0.42 2.27 0.00 -1.34 0.00 0.00 175.22 175.79 2ksq s ALA 125 N 1.96 2.26 0.76 1.99 0.00 0.29 -2.99 121.76 126.03 2ksq s ALA 125 Ca 0.03 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 2ksq s ALA 125 Cb -0.14 -4.19 0.05 0.00 0.00 0.00 0.00 23.12 18.84 2ksq s ALA 125 CO -0.06 -3.52 1.13 1.21 0.00 0.00 0.00 175.76 174.51 2ksq s ASN 126 N 9.84 4.91 -1.81 0.00 3.84 0.15 -2.13 114.94 129.74 2ksq s ASN 126 Ca 0.98 1.02 0.00 0.00 0.21 0.00 0.00 52.86 55.07 2ksq s ASN 126 Cb -0.25 -1.70 0.00 0.00 -0.55 0.00 0.00 41.25 38.75 2ksq s ASN 126 CO 0.31 -1.67 0.00 0.29 -2.79 0.00 0.00 177.10 173.23 2ksq n LYS 127 N -3.20 -1.29 0.28 0.43 5.02 -1.26 0.09 118.16 118.22 2ksq n LYS 127 Ca 0.07 1.07 0.13 0.00 -2.02 0.00 0.00 58.31 57.56 2ksq n LYS 127 Cb 0.58 -5.39 0.80 0.00 -0.02 0.00 0.00 35.03 31.00 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 -1.65 -1.21 115.11 115.29 2ksq h GLN 128 Ca -0.38 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.81 2ksq h GLN 128 Cb 1.21 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.64 2ksq h GLN 128 CO 0.53 0.05 -0.02 0.38 -0.95 0.00 0.00 178.83 178.81 2ksq h ASP 129 N 0.00 0.00 -3.34 1.46 2.03 -1.89 -3.41 116.42 111.27 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 0.11 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.67 2ksq h ASP 129 CO 0.01 0.02 0.75 -0.76 -1.03 0.00 0.00 179.24 178.23 2ksq s LEU 130 N -6.33 4.39 0.54 0.15 2.01 -0.46 -4.88 118.68 114.10 2ksq s LEU 130 Ca -0.01 2.61 0.34 0.00 0.01 0.00 0.00 54.13 57.08 2ksq s LEU 130 Cb 0.11 -3.62 1.52 0.00 0.01 0.00 0.00 46.19 44.21 2ksq s LEU 130 CO 0.51 -0.68 1.85 -0.65 1.01 0.00 0.00 176.35 178.38 2ksq h PRO 131 N 5.25 0.00 -0.79 1.29 0.11 -1.89 0.56 132.00 136.53 2ksq h PRO 131 Ca -0.45 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.41 2ksq h PRO 131 Cb 1.22 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 2ksq h PRO 131 CO 0.79 0.00 0.31 0.39 -0.21 0.00 0.00 178.00 179.27 2ksq n GLU 132 N -4.22 3.57 -1.97 1.05 4.71 -1.26 -4.98 120.64 117.54 2ksq n GLU 132 Ca 0.22 -3.00 -0.42 0.00 -0.01 0.00 0.00 57.16 53.96 2ksq n GLU 132 Cb 1.11 -2.20 -0.03 0.00 -1.01 0.00 0.00 31.44 29.31 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 -2.95 3.72 0.64 0.62 0.00 0.20 -4.51 121.76 119.48 2ksq s ALA 133 Ca 0.54 1.34 -0.16 0.00 0.00 0.00 0.00 51.96 53.69 2ksq s ALA 133 Cb 0.43 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 2ksq s ALA 133 CO 0.13 -0.76 1.12 -1.64 0.00 0.00 0.00 175.76 174.61 2ksq s MET 134 N 0.72 2.85 0.67 0.00 -1.94 -1.12 -4.93 119.30 115.55 2ksq s MET 134 Ca 0.67 1.45 -0.11 0.00 -1.71 0.00 0.00 55.69 55.98 2ksq s MET 134 Cb -0.43 -1.95 -0.01 0.00 2.01 0.00 0.00 34.83 34.45 2ksq s MET 134 CO 0.35 -1.22 1.06 -1.12 -0.01 0.00 0.00 175.02 174.07 2ksq s SER 135 N -2.42 5.74 0.39 3.03 0.01 -1.26 -4.94 113.70 114.25 2ksq s SER 135 Ca 0.68 1.39 0.13 0.00 1.31 0.00 0.00 55.95 59.47 2ksq s SER 135 Cb -0.22 -2.32 0.78 0.00 0.21 0.00 0.00 66.02 64.47 2ksq s SER 135 CO 0.39 -1.19 1.86 0.00 0.41 0.00 0.00 173.24 174.72 2ksq h ALA 136 N -0.54 1.44 -0.25 1.44 0.00 -1.99 -2.75 119.26 116.60 2ksq h ALA 136 Ca -0.44 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.04 2ksq h ALA 136 Cb 1.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2ksq h ALA 136 CO 0.61 0.42 -0.36 0.00 0.00 0.00 0.00 179.25 179.92 2ksq h ALA 137 N 1.67 0.90 0.00 0.00 0.00 -1.99 -2.03 119.26 117.81 2ksq h ALA 137 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2ksq h ALA 137 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ksq h ALA 137 CO 0.04 0.63 -0.15 1.49 0.00 0.00 0.00 179.25 181.26 2ksq h GLU 138 N 0.47 0.10 -0.68 0.00 4.57 -1.90 -1.95 114.58 115.19 2ksq h GLU 138 Ca 0.05 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2ksq h GLU 138 Cb 0.85 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.43 2ksq h GLU 138 CO 0.07 0.89 0.45 0.82 -1.18 0.00 0.00 179.01 180.06 2ksq h ILE 139 N -0.65 1.18 -0.19 2.32 2.04 -1.56 -0.99 117.51 119.66 2ksq h ILE 139 Ca -0.02 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 2ksq h ILE 139 Cb 0.95 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2ksq h ILE 139 CO 0.03 0.17 -0.06 0.00 0.00 0.00 0.00 178.15 178.30 2ksq h THR 140 N 0.93 1.29 0.27 -0.27 1.03 -1.47 -2.70 112.91 111.99 2ksq h THR 140 Ca 0.25 -1.06 -0.00 0.00 -0.01 0.00 0.00 66.41 65.59 2ksq h THR 140 Cb -0.09 1.60 -0.02 0.00 -1.07 0.00 0.00 68.15 68.57 2ksq h THR 140 CO -0.05 0.32 -0.25 -0.08 -0.01 0.00 0.00 175.52 175.45 2ksq h GLU 141 N 0.08 -0.53 -0.54 0.00 4.57 -1.13 -1.74 114.58 115.29 2ksq h GLU 141 Ca 0.05 0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.38 2ksq h GLU 141 Cb 0.52 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 2ksq h GLU 141 CO 0.02 -0.35 0.38 0.87 -1.18 0.00 0.00 179.01 178.74 2ksq h LYS 142 N -0.55 0.20 -0.01 1.92 1.79 -1.23 0.33 116.57 119.02 2ksq h LYS 142 Ca -0.01 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2ksq h LYS 142 Cb 0.50 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2ksq h LYS 142 CO -0.04 0.13 0.00 1.28 -1.08 0.00 0.00 179.45 179.74 2ksq n LEU 143 N -4.44 0.58 -2.42 2.94 4.77 -0.88 -4.90 117.00 112.65 2ksq n LEU 143 Ca 0.09 -0.20 -0.21 0.00 -0.03 0.00 0.00 56.01 55.67 2ksq n LEU 143 Cb 0.47 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 2ksq n LEU 143 CO 0.35 0.10 -0.26 0.61 -1.33 0.00 0.00 177.39 176.86 2ksq n GLY 144 N 1.06 -0.50 0.35 -0.72 0.00 0.12 -4.88 105.19 100.62 2ksq n GLY 144 Ca 0.22 0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.05 0.99 -0.88 0.99 7.12 -1.54 -0.64 115.31 121.29 2ksq h LEU 145 Ca -0.50 0.01 -0.12 0.00 0.13 0.00 0.00 57.88 57.40 2ksq h LEU 145 Cb 1.37 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 41.28 2ksq h LEU 145 CO 0.59 0.64 -0.55 0.45 -0.13 0.00 0.00 178.44 179.44 2ksq h HIS 146 N 1.13 0.01 -0.00 1.25 3.86 -1.90 -2.86 115.15 116.64 2ksq h HIS 146 Ca 0.40 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 2ksq h HIS 146 Cb 0.12 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 2ksq h HIS 146 CO -0.01 0.56 -0.25 -1.13 0.86 0.00 0.00 177.93 177.96 2ksq n SER 147 N -3.88 0.26 -4.45 2.45 3.41 -0.71 -4.74 113.62 105.96 2ksq n SER 147 Ca -0.01 0.11 -0.41 0.00 -0.26 0.00 0.00 58.87 58.30 2ksq n SER 147 Cb 0.56 -0.12 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 2ksq n SER 147 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ksq s ILE 148 N -2.99 4.95 -0.13 -1.33 1.01 -0.33 -4.90 121.20 117.49 2ksq s ILE 148 Ca 0.13 -0.59 0.17 0.00 0.00 0.00 0.00 60.65 60.36 2ksq s ILE 148 Cb 0.18 -3.68 0.43 0.00 0.01 0.00 0.00 42.46 39.40 2ksq s ILE 148 CO 0.61 -0.17 1.20 -2.11 0.00 0.00 0.00 174.94 174.47 2ksq n ARG 149 N 5.07 0.99 -0.00 2.79 0.00 -1.26 -4.70 116.66 119.55 2ksq n ARG 149 Ca -0.12 -2.80 0.01 0.00 -0.00 0.00 0.00 57.85 54.93 2ksq n ARG 149 Cb 0.48 -0.98 -0.01 0.00 -0.00 0.00 0.00 32.46 31.94 2ksq n ARG 149 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2ksq n ASN 150 N -0.46 0.48 -3.85 2.89 2.85 -1.26 -4.99 115.26 110.91 2ksq n ASN 150 Ca 0.14 -0.49 -0.23 0.00 -0.11 0.00 0.00 54.58 53.89 2ksq n ASN 150 Cb 0.88 1.01 -0.17 0.00 1.24 0.00 0.00 39.78 42.74 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 -1.24 0.95 -0.71 1.20 6.06 -1.26 -5.09 118.95 118.86 2ksq s ARG 151 Ca 0.01 -0.07 -0.26 0.00 -2.50 0.00 0.00 55.73 52.91 2ksq s ARG 151 Cb 0.01 -1.10 -0.05 0.00 0.06 0.00 0.00 34.95 33.87 2ksq s ARG 151 CO 0.07 -0.21 2.02 -1.25 -2.50 0.00 0.00 175.30 173.44 2ksq s PRO 152 N 1.52 2.42 0.05 5.12 0.04 -1.26 -4.92 135.00 137.96 2ksq s PRO 152 Ca -0.01 0.40 -0.08 0.00 0.04 0.00 0.00 61.00 61.35 2ksq s PRO 152 Cb -0.13 -4.69 -0.00 0.00 0.04 0.00 0.00 34.50 29.72 2ksq s PRO 152 CO -0.04 -3.22 0.16 1.67 0.04 0.00 0.00 177.00 175.61 2ksq s TRP 153 N 10.48 0.13 0.04 0.56 -2.14 -1.25 -2.96 118.94 123.80 2ksq s TRP 153 Ca 0.75 -0.43 -0.00 0.00 2.66 0.00 0.00 56.10 59.08 2ksq s TRP 153 Cb -0.11 -0.08 -0.03 0.00 -3.10 0.00 0.00 33.47 30.15 2ksq s TRP 153 CO 0.13 -0.43 -0.04 0.12 -2.66 0.00 0.00 176.95 174.06 2ksq s PHE 154 N -2.90 0.48 -0.16 1.66 2.19 -1.16 -4.97 117.98 113.12 2ksq s PHE 154 Ca -0.02 -0.82 -0.01 0.00 0.33 0.00 0.00 56.93 56.40 2ksq s PHE 154 Cb 0.01 -0.33 -0.01 0.00 -1.31 0.00 0.00 43.02 41.37 2ksq s PHE 154 CO -0.06 -0.27 -0.11 -1.50 1.83 0.00 0.00 175.22 175.12 2ksq s ILE 155 N -2.84 3.09 -0.04 3.12 2.07 -1.23 0.12 121.20 125.49 2ksq s ILE 155 Ca -0.02 -0.62 0.02 0.00 -1.41 0.00 0.00 60.65 58.62 2ksq s ILE 155 Cb 0.00 -2.34 0.01 0.00 0.13 0.00 0.00 42.46 40.27 2ksq s ILE 155 CO -0.06 0.49 -0.08 -1.10 -1.91 0.00 0.00 174.94 172.29 2ksq s GLN 156 N 0.76 0.98 -0.38 3.50 -1.52 0.82 -4.95 119.66 118.88 2ksq s GLN 156 Ca -0.04 -0.24 -0.28 0.00 -1.95 0.00 0.00 55.36 52.85 2ksq s GLN 156 Cb -0.15 -0.91 0.02 0.00 -0.22 0.00 0.00 33.01 31.74 2ksq s GLN 156 CO 0.01 0.03 1.02 0.00 -0.25 0.00 0.00 175.29 176.11 2ksq s ALA 157 N 0.50 3.38 0.21 6.09 0.00 -1.26 0.10 121.76 130.77 2ksq s ALA 157 Ca -0.08 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.58 2ksq s ALA 157 Cb -0.11 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.29 2ksq s ALA 157 CO 0.01 -1.73 -0.03 0.95 0.00 0.00 0.00 175.76 174.97 2ksq s THR 158 N 3.76 1.05 -0.28 0.00 -4.23 -0.90 -4.86 115.64 110.17 2ksq s THR 158 Ca 0.43 -2.04 -0.00 0.00 -1.18 0.00 0.00 61.69 58.90 2ksq s THR 158 Cb -0.11 -2.22 0.09 0.00 1.34 0.00 0.00 72.50 71.60 2ksq s THR 158 CO 0.21 -0.43 0.05 0.00 -0.54 0.00 0.00 174.62 173.91 2ksq h ALA 160 N 8.03 0.88 -0.93 0.00 0.00 -1.92 0.88 119.26 126.19 2ksq h ALA 160 Ca -0.14 -0.46 0.21 0.00 0.00 0.00 0.00 54.91 54.52 2ksq h ALA 160 Cb 1.04 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 2ksq h ALA 160 CO 0.44 0.65 0.61 0.00 0.00 0.00 0.00 179.25 180.96 2ksq h THR 161 N 0.36 0.66 0.00 0.00 1.03 -1.94 -2.95 112.91 110.08 2ksq h THR 161 Ca 0.02 -0.15 -0.26 0.00 -0.01 0.00 0.00 66.41 66.01 2ksq h THR 161 Cb 0.95 0.20 -0.05 0.00 -1.07 0.00 0.00 68.15 68.18 2ksq h THR 161 CO 0.08 0.08 -2.00 -1.54 -0.01 0.00 0.00 175.52 172.13 2ksq n SER 162 N -4.53 2.52 0.00 0.00 3.41 -1.15 -4.70 113.62 109.17 2ksq n SER 162 Ca 0.20 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2ksq n SER 162 Cb 0.71 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2ksq n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ksq n GLY 163 N 2.60 0.82 3.76 5.00 0.00 0.30 -4.96 105.19 112.72 2ksq n GLY 163 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.75 4.43 0.00 1.61 2.12 -1.07 -2.82 118.70 122.22 2ksq s GLU 164 Ca 0.00 2.09 0.00 0.00 0.36 0.00 0.00 54.97 57.42 2ksq s GLU 164 Cb 0.00 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.26 2ksq s GLU 164 CO 0.00 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 2ksq n GLY 165 N 1.31 2.88 0.26 -1.50 0.00 -1.26 -2.66 105.19 104.22 2ksq n GLY 165 Ca 0.01 0.00 -0.10 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 0.85 -0.49 0.99 4.07 -1.86 -2.80 115.31 116.06 2ksq h LEU 166 Ca 0.00 -0.30 -0.02 0.00 0.08 0.00 0.00 57.88 57.64 2ksq h LEU 166 Cb 0.00 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.49 2ksq h LEU 166 CO 0.00 0.94 0.23 0.10 -1.08 0.00 0.00 178.44 178.63 2ksq h TYR 167 N 0.73 0.71 -0.87 1.13 -0.00 -1.89 -2.62 116.97 114.16 2ksq h TYR 167 Ca 0.14 -0.04 0.07 0.00 0.00 0.00 0.00 58.73 58.90 2ksq h TYR 167 Cb 0.50 -0.22 -0.06 0.00 0.00 0.00 0.00 36.73 36.95 2ksq h TYR 167 CO 0.04 0.57 0.56 1.49 -0.00 0.00 0.00 178.16 180.82 2ksq h GLU 168 N 0.65 0.92 -0.52 0.10 4.57 -1.93 -2.28 114.58 116.09 2ksq h GLU 168 Ca 0.17 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2ksq h GLU 168 Cb 0.13 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 2ksq h GLU 168 CO -0.02 0.61 0.34 0.78 -1.18 0.00 0.00 179.01 179.54 2ksq h GLY 169 N 0.95 0.74 2.00 1.92 0.00 -1.20 -1.68 103.07 105.80 2ksq h GLY 169 Ca 0.38 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 2ksq h GLY 169 CO -0.14 0.28 -0.18 -2.00 0.00 0.00 0.00 176.54 174.50 2ksq h LEU 170 N 0.71 0.00 -0.17 3.11 5.85 -1.32 -2.41 115.31 121.08 2ksq h LEU 170 Ca 0.19 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 2ksq h LEU 170 Cb -0.06 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 2ksq h LEU 170 CO -0.04 0.18 -0.29 -0.33 -0.34 0.00 0.00 178.44 177.63 2ksq h GLU 171 N 0.00 0.49 -0.34 1.25 3.07 -0.93 -2.11 114.58 116.01 2ksq h GLU 171 Ca -0.00 -0.30 -0.08 0.00 -0.50 0.00 0.00 59.36 58.48 2ksq h GLU 171 Cb 0.43 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 2ksq h GLU 171 CO 0.02 0.90 -0.12 -1.49 -1.40 0.00 0.00 179.01 176.93 2ksq h TRP 172 N 0.13 0.64 -0.28 4.33 -0.00 -1.16 -2.30 115.95 117.31 2ksq h TRP 172 Ca 0.01 -0.10 -0.05 0.00 -0.00 0.00 0.00 58.89 58.75 2ksq h TRP 172 Cb 0.87 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 29.85 2ksq h TRP 172 CO 0.09 0.69 -0.03 1.25 -0.00 0.00 0.00 178.44 180.44 2ksq h LEU 173 N 0.54 0.51 -1.46 -4.49 7.12 -1.41 -2.67 115.31 113.45 2ksq h LEU 173 Ca 0.10 -0.34 -0.05 0.00 0.13 0.00 0.00 57.88 57.72 2ksq h LEU 173 Cb 0.53 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.51 2ksq h LEU 173 CO 0.03 0.72 -0.19 -1.28 -0.13 0.00 0.00 178.44 177.59 2ksq h SER 174 N 0.28 0.11 0.49 1.25 0.87 -1.21 -2.74 113.55 112.59 2ksq h SER 174 Ca 0.07 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.45 2ksq h SER 174 Cb 0.48 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2ksq h SER 174 CO 0.02 0.31 -0.72 0.78 -0.53 0.00 0.00 176.83 176.69 2ksq h ASN 175 N 0.11 0.22 0.52 6.23 2.35 -1.29 -2.41 115.58 121.31 2ksq h ASN 175 Ca 0.02 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.52 2ksq h ASN 175 Cb 0.40 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2ksq h ASN 175 CO 0.03 0.87 -0.46 0.00 -1.65 0.00 0.00 177.43 176.21 2ksq n LEU 177 N -3.90 1.53 -0.28 0.00 4.32 -1.20 -4.51 117.00 112.95 2ksq n LEU 177 Ca -0.01 0.42 -0.03 0.00 -0.02 0.00 0.00 56.01 56.37 2ksq n LEU 177 Cb 0.49 -0.75 0.13 0.00 -1.62 0.00 0.00 43.42 41.68 2ksq n LEU 177 CO 0.40 -0.40 1.16 0.11 -1.22 0.00 0.00 177.39 177.44 2ksq h LYS 178 N -0.82 1.15 -6.88 3.23 1.79 -1.60 -3.46 116.57 109.98 2ksq h LYS 178 Ca 0.00 -0.13 -0.42 0.00 -2.18 0.00 0.00 60.65 57.91 2ksq h LYS 178 Cb 0.61 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 2ksq h LYS 178 CO 0.00 0.85 -0.77 -1.71 -1.08 0.00 0.00 179.45 176.74 2ksq n ASN 179 N -4.34 -3.14 -1.45 0.86 5.15 -0.19 -4.49 115.26 107.66 2ksq n ASN 179 Ca 0.09 -0.90 0.18 0.00 -0.60 0.00 0.00 54.58 53.35 2ksq n ASN 179 Cb 0.10 -1.16 -0.07 0.00 -0.53 0.00 0.00 39.78 38.12 2ksq n ASN 179 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2ksq n SER 180 N -1.45 -8.47 0.00 1.20 7.64 -1.26 -5.08 113.62 106.20 2ksq n SER 180 Ca -0.13 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.86 2ksq n SER 180 Cb 0.44 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 58.89 2ksq n SER 180 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38