#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 0.10 -0.15 0.99 6.46 -2.05 -2.26 115.31 118.40 2ksq h LEU 3 Ca 0.00 -0.48 -0.07 0.00 -0.12 0.00 0.00 57.88 57.21 2ksq h LEU 3 Cb 0.00 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 39.90 2ksq h LEU 3 CO 0.00 0.56 -0.17 0.15 -0.62 0.00 0.00 178.44 178.36 2ksq h PHE 4 N -0.35 0.45 0.45 1.25 3.57 -2.06 -3.01 116.94 117.23 2ksq h PHE 4 Ca 0.01 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 2ksq h PHE 4 Cb 0.53 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2ksq h PHE 4 CO 0.09 0.78 -0.43 0.00 -2.23 0.00 0.00 178.31 176.52 2ksq h ALA 5 N 0.59 -0.96 -0.62 2.41 0.00 -2.01 -1.87 119.26 116.80 2ksq h ALA 5 Ca 0.02 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 54.95 2ksq h ALA 5 Cb 0.72 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2ksq h ALA 5 CO 0.04 -1.07 0.50 0.77 0.00 0.00 0.00 179.25 179.48 2ksq h SER 6 N -0.89 0.00 -0.08 0.00 0.02 -1.50 -0.10 113.55 111.00 2ksq h SER 6 Ca -0.04 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 2ksq h SER 6 Cb 0.78 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 2ksq h SER 6 CO -0.05 0.00 -0.09 0.11 -1.14 0.00 0.00 176.83 175.66 2ksq h LYS 7 N 0.00 0.20 -0.55 3.45 1.57 -1.22 -2.94 116.57 117.08 2ksq h LYS 7 Ca 0.30 -0.11 0.16 0.00 -1.87 0.00 0.00 60.65 59.12 2ksq h LYS 7 Cb 1.29 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 2ksq h LYS 7 CO -0.00 0.65 0.42 1.25 -0.57 0.00 0.00 179.45 181.19 2ksq h LEU 8 N -0.23 0.00 -0.32 2.94 6.46 -0.31 0.34 115.31 124.18 2ksq h LEU 8 Ca 0.01 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.67 2ksq h LEU 8 Cb 0.62 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 2ksq h LEU 8 CO 0.02 0.00 -0.50 0.15 -0.62 0.00 0.00 178.44 177.49 2ksq h PHE 9 N 0.00 0.00 -0.08 1.25 3.57 -1.33 -3.29 116.94 117.06 2ksq h PHE 9 Ca 0.26 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.56 2ksq h PHE 9 Cb 1.09 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 2ksq h PHE 9 CO 0.00 0.50 -0.78 0.77 -2.23 0.00 0.00 178.31 176.57 2ksq h SER 10 N 0.00 0.59 0.79 0.41 0.02 -0.17 -3.01 113.55 112.18 2ksq h SER 10 Ca -0.01 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 2ksq h SER 10 Cb 1.25 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 2ksq h SER 10 CO 0.07 1.16 -0.06 -0.55 -1.14 0.00 0.00 176.83 176.31 2ksq h ASN 11 N 0.32 0.00 0.55 3.07 -1.07 -1.57 0.83 115.58 117.72 2ksq h ASN 11 Ca -0.04 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 56.04 2ksq h ASN 11 Cb 1.38 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.61 2ksq h ASN 11 CO 0.14 0.06 -1.49 0.25 0.07 0.00 0.00 177.43 176.46 2ksq h LEU 12 N 0.00 0.23 0.00 6.14 5.85 -1.65 -3.29 115.31 122.59 2ksq h LEU 12 Ca -0.00 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2ksq h LEU 12 Cb 0.47 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2ksq h LEU 12 CO 0.01 1.28 -1.54 0.49 -0.34 0.00 0.00 178.44 178.34 2ksq n PHE 13 N -3.34 0.33 -1.41 1.25 3.01 -1.09 -4.26 117.46 111.95 2ksq n PHE 13 Ca -0.14 0.10 -0.21 0.00 1.01 0.00 0.00 57.45 58.20 2ksq n PHE 13 Cb 1.03 -0.62 0.14 0.00 -0.01 0.00 0.00 39.48 40.02 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 1.26 5.17 3.59 1.37 0.00 0.29 -4.96 105.19 111.91 2ksq n GLY 14 Ca -0.02 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.03 6.61 -0.45 1.61 3.04 -1.24 -4.89 114.94 117.60 2ksq s ASN 15 Ca 0.55 0.45 0.04 0.00 0.04 0.00 0.00 52.86 53.94 2ksq s ASN 15 Cb 0.46 -2.43 0.48 0.00 -1.54 0.00 0.00 41.25 38.22 2ksq s ASN 15 CO 0.04 -0.80 1.62 2.29 -3.04 0.00 0.00 177.10 177.20 2ksq n LYS 16 N 6.61 2.83 -3.74 0.43 0.00 -1.26 -4.94 118.16 118.09 2ksq n LYS 16 Ca 0.05 -3.57 -0.13 0.00 -0.00 0.00 0.00 58.31 54.66 2ksq n LYS 16 Cb 0.48 -2.19 -0.14 0.00 -0.00 0.00 0.00 35.03 33.18 2ksq n LYS 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2ksq s GLU 17 N -3.61 0.14 0.05 -1.58 -1.05 -1.26 0.32 118.70 111.71 2ksq s GLU 17 Ca 0.56 0.45 0.03 0.00 -0.15 0.00 0.00 54.97 55.86 2ksq s GLU 17 Cb 0.45 -0.15 -0.04 0.00 -0.44 0.00 0.00 34.13 33.95 2ksq s GLU 17 CO 0.02 -0.17 0.04 -1.64 0.95 0.00 0.00 175.26 174.45 2ksq s MET 18 N 1.25 2.78 -0.23 -4.83 -1.94 -0.88 -4.89 119.30 110.57 2ksq s MET 18 Ca -0.09 -0.69 -0.12 0.00 -1.71 0.00 0.00 55.69 53.08 2ksq s MET 18 Cb -0.11 -2.67 -0.05 0.00 2.01 0.00 0.00 34.83 34.01 2ksq s MET 18 CO -0.07 0.58 0.24 1.03 -0.01 0.00 0.00 175.02 176.79 2ksq s ARG 19 N -2.06 4.10 0.07 2.03 1.81 -1.26 -1.38 118.95 122.26 2ksq s ARG 19 Ca 0.25 -0.12 0.05 0.00 -1.72 0.00 0.00 55.73 54.19 2ksq s ARG 19 Cb -0.12 -3.54 -0.03 0.00 -0.45 0.00 0.00 34.95 30.81 2ksq s ARG 19 CO 0.17 0.02 -0.14 0.42 -0.68 0.00 0.00 175.30 175.09 2ksq s ILE 20 N 1.16 1.12 0.01 1.52 1.09 0.30 0.12 121.20 126.53 2ksq s ILE 20 Ca 0.11 -1.30 0.03 0.00 -1.10 0.00 0.00 60.65 58.39 2ksq s ILE 20 Cb -0.14 -1.08 -0.01 0.00 -1.06 0.00 0.00 42.46 40.17 2ksq s ILE 20 CO 0.06 -0.22 -0.10 -0.22 -0.10 0.00 0.00 174.94 174.37 2ksq s LEU 21 N -1.73 2.08 -0.11 2.97 0.20 -1.11 -1.76 118.68 119.22 2ksq s LEU 21 Ca -0.02 -0.27 0.01 0.00 0.69 0.00 0.00 54.13 54.54 2ksq s LEU 21 Cb -0.10 -0.44 -0.02 0.00 -0.43 0.00 0.00 46.19 45.20 2ksq s LEU 21 CO 0.02 0.05 -0.12 -0.32 -0.29 0.00 0.00 176.35 175.69 2ksq s MET 22 N -0.57 3.14 -0.00 1.98 1.75 0.24 1.00 119.30 126.85 2ksq s MET 22 Ca 0.01 -0.66 0.00 0.00 -1.25 0.00 0.00 55.69 53.79 2ksq s MET 22 Cb -0.05 -2.59 0.00 0.00 2.84 0.00 0.00 34.83 35.03 2ksq s MET 22 CO 0.00 0.35 -0.01 0.14 -0.65 0.00 0.00 175.02 174.85 2ksq s VAL 23 N -0.01 0.08 0.20 10.11 -7.23 -1.12 -2.78 120.40 119.66 2ksq s VAL 23 Ca -0.03 -0.03 -0.23 0.00 -1.81 0.00 0.00 61.98 59.88 2ksq s VAL 23 Cb -0.14 -0.09 0.05 0.00 0.56 0.00 0.00 36.38 36.76 2ksq s VAL 23 CO 0.04 0.03 0.76 -0.83 -0.31 0.00 0.00 175.10 174.79 2ksq s GLY 24 N 0.06 -0.27 0.00 2.32 0.00 -1.26 -1.38 107.32 106.79 2ksq s GLY 24 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.80 2ksq s GLY 24 CO -0.00 0.02 0.00 -0.10 0.00 0.00 0.00 173.10 173.02 2ksq n LEU 25 N -0.43 0.00 -0.37 0.66 7.94 -1.26 -4.33 117.00 119.21 2ksq n LEU 25 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 2ksq n LEU 25 Cb 0.61 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.56 2ksq n LEU 25 CO 0.14 -0.59 0.33 -0.67 -1.11 0.00 0.00 177.39 175.48 2ksq n ASP 26 N -0.26 0.76 0.00 1.96 -0.08 -1.18 -4.13 116.55 113.62 2ksq n ASP 26 Ca 0.00 -2.01 0.00 0.00 -1.51 0.00 0.00 54.79 51.27 2ksq n ASP 26 Cb 0.00 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.10 2ksq n ASP 26 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ksq n GLY 27 N 0.15 0.00 0.07 0.27 0.00 -1.26 -4.92 105.19 99.49 2ksq n GLY 27 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.06 0.00 4.61 0.00 -1.89 -3.48 119.26 118.44 2ksq h ALA 28 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ksq h ALA 28 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2ksq h ALA 28 CO 0.00 -0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.23 2ksq n GLY 29 N -0.55 1.71 0.33 0.00 0.00 -1.26 -4.65 105.19 100.76 2ksq n GLY 29 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.03 2ksq n GLY 29 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ksq h LYS 30 N 0.00 0.42 -0.46 1.61 -0.00 -1.93 -0.77 116.57 115.44 2ksq h LYS 30 Ca 0.00 -0.03 -0.13 0.00 -0.00 0.00 0.00 60.65 60.49 2ksq h LYS 30 Cb 0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 32.23 32.12 2ksq h LYS 30 CO 0.00 0.28 -0.23 1.15 -0.00 0.00 0.00 179.45 180.65 2ksq h THR 31 N 0.43 1.27 -0.24 0.07 2.02 -1.94 -1.72 112.91 112.81 2ksq h THR 31 Ca 0.20 -1.39 -0.13 0.00 0.77 0.00 0.00 66.41 65.87 2ksq h THR 31 Cb 0.26 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2ksq h THR 31 CO -0.05 0.48 -0.35 0.74 0.37 0.00 0.00 175.52 176.71 2ksq h THR 32 N 0.82 1.32 -0.16 3.16 2.02 -1.60 -2.84 112.91 115.63 2ksq h THR 32 Ca 0.10 -1.54 -0.04 0.00 0.77 0.00 0.00 66.41 65.70 2ksq h THR 32 Cb 0.80 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.94 2ksq h THR 32 CO 0.07 0.49 -0.04 1.62 0.37 0.00 0.00 175.52 178.02 2ksq h VAL 33 N 0.36 1.29 -0.55 3.16 3.04 -1.19 -1.96 116.25 120.40 2ksq h VAL 33 Ca 0.02 -1.00 0.02 0.00 -1.01 0.00 0.00 66.70 64.74 2ksq h VAL 33 Cb 0.93 1.63 -0.03 0.00 -2.01 0.00 0.00 31.29 31.81 2ksq h VAL 33 CO 0.08 0.29 0.37 0.25 -1.01 0.00 0.00 177.57 177.55 2ksq h LEU 34 N 0.01 0.58 -0.31 3.16 6.46 -1.39 -1.41 115.31 122.40 2ksq h LEU 34 Ca 0.04 -0.01 -0.18 0.00 -0.12 0.00 0.00 57.88 57.61 2ksq h LEU 34 Cb 0.47 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 2ksq h LEU 34 CO 0.02 0.41 -0.85 1.88 -0.62 0.00 0.00 178.44 179.27 2ksq h TYR 35 N 0.67 0.04 -0.10 1.25 0.05 -1.43 -1.53 116.97 115.93 2ksq h TYR 35 Ca 0.21 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.91 2ksq h TYR 35 Cb 0.03 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 2ksq h TYR 35 CO -0.00 0.86 -0.18 0.87 -1.05 0.00 0.00 178.16 178.66 2ksq h LYS 36 N 0.01 0.30 -0.00 4.88 1.79 -0.52 0.95 116.57 123.98 2ksq h LYS 36 Ca -0.01 -0.19 -0.17 0.00 -2.18 0.00 0.00 60.65 58.10 2ksq h LYS 36 Cb 1.49 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 32.14 2ksq h LYS 36 CO 0.11 0.78 -0.78 1.25 -1.08 0.00 0.00 179.45 179.73 2ksq h LEU 37 N -0.14 0.05 0.16 2.94 6.46 -1.38 0.92 115.31 124.33 2ksq h LEU 37 Ca 0.01 -0.04 -0.35 0.00 -0.12 0.00 0.00 57.88 57.37 2ksq h LEU 37 Cb 0.76 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.67 2ksq h LEU 37 CO 0.04 0.81 -1.81 0.50 -0.62 0.00 0.00 178.44 177.36 2ksq h LYS 38 N 0.03 0.34 0.00 1.25 3.64 -1.30 -3.38 116.57 117.14 2ksq h LYS 38 Ca -0.01 -0.58 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 2ksq h LYS 38 Cb 1.37 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 2ksq h LYS 38 CO 0.11 1.26 -1.38 -0.11 -2.27 0.00 0.00 179.45 177.05 2ksq n LEU 39 N -3.54 0.46 0.00 5.20 0.00 0.33 -4.95 117.00 114.50 2ksq n LEU 39 Ca -0.26 -0.26 0.00 0.00 0.00 0.00 0.00 56.01 55.49 2ksq n LEU 39 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.49 2ksq n LEU 39 CO 0.49 0.12 0.00 0.61 0.00 0.00 0.00 177.39 178.60 2ksq n GLY 40 N 1.42 1.98 2.96 -3.96 0.00 0.32 -4.97 105.19 102.95 2ksq n GLY 40 Ca 0.00 0.00 -0.10 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 -0.02 0.26 0.04 1.61 2.02 -1.23 -4.94 118.70 116.43 2ksq s GLU 41 Ca 0.00 -0.47 -0.30 0.00 0.02 0.00 0.00 54.97 54.22 2ksq s GLU 41 Cb 0.00 0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.23 2ksq s GLU 41 CO 0.00 -0.03 1.02 0.14 0.02 0.00 0.00 175.26 176.42 2ksq s VAL 42 N -1.09 4.61 0.32 2.63 -7.23 -1.26 -3.96 120.40 114.42 2ksq s VAL 42 Ca -0.12 1.93 0.10 0.00 -1.81 0.00 0.00 61.98 62.08 2ksq s VAL 42 Cb -0.08 -4.23 -0.06 0.00 0.56 0.00 0.00 36.38 32.57 2ksq s VAL 42 CO -0.01 0.18 -0.12 0.27 -0.31 0.00 0.00 175.10 175.11 2ksq s ILE 43 N 0.82 2.23 -0.09 -0.62 -0.00 -1.26 -5.08 121.20 117.20 2ksq s ILE 43 Ca 0.52 -2.25 -0.29 0.00 -0.00 0.00 0.00 60.65 58.63 2ksq s ILE 43 Cb -0.23 -2.53 -0.05 0.00 -0.00 0.00 0.00 42.46 39.64 2ksq s ILE 43 CO 0.29 -0.27 1.67 0.42 -0.00 0.00 0.00 174.94 177.06 2ksq s THR 44 N -2.63 3.57 0.26 8.37 -4.23 -1.26 -4.91 115.64 114.81 2ksq s THR 44 Ca 0.31 0.68 0.06 0.00 -1.18 0.00 0.00 61.69 61.57 2ksq s THR 44 Cb 0.01 -3.48 -0.03 0.00 1.34 0.00 0.00 72.50 70.34 2ksq s THR 44 CO 0.16 -0.11 0.27 0.28 -0.54 0.00 0.00 174.62 174.68 2ksq s THR 45 N 4.44 4.63 0.16 3.99 -1.32 -1.26 -5.10 115.64 121.18 2ksq s THR 45 Ca 0.74 -1.25 -0.07 0.00 -1.21 0.00 0.00 61.69 59.91 2ksq s THR 45 Cb -0.32 -3.54 -0.02 0.00 -1.51 0.00 0.00 72.50 67.12 2ksq s THR 45 CO 0.30 -0.32 0.23 0.27 -2.21 0.00 0.00 174.62 172.89 2ksq s ILE 46 N -2.10 0.07 -0.24 5.08 -0.00 -1.26 -5.10 121.20 117.65 2ksq s ILE 46 Ca 0.34 -1.54 -0.31 0.00 -0.00 0.00 0.00 60.65 59.15 2ksq s ILE 46 Cb -0.08 -1.93 -0.07 0.00 -0.00 0.00 0.00 42.46 40.38 2ksq s ILE 46 CO 0.27 -0.32 2.19 -2.65 -0.00 0.00 0.00 174.94 174.43 2ksq n PRO 47 N -0.19 1.76 -2.86 0.37 -0.02 -1.26 -4.92 135.00 127.88 2ksq n PRO 47 Ca -0.06 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 2ksq n PRO 47 Cb 0.63 -2.98 -0.04 0.00 -0.02 0.00 0.00 33.50 31.10 2ksq n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2ksq s THR 48 N 7.66 4.80 -0.86 3.45 -4.23 -1.26 -4.93 115.64 120.26 2ksq s THR 48 Ca 1.02 1.58 0.01 0.00 -1.18 0.00 0.00 61.69 63.12 2ksq s THR 48 Cb -0.51 -4.16 0.32 0.00 1.34 0.00 0.00 72.50 69.50 2ksq s THR 48 CO 0.40 -0.13 1.47 -0.38 -0.54 0.00 0.00 174.62 175.45 2ksq n ILE 49 N 5.33 4.91 0.00 2.99 2.08 -1.26 -0.61 119.36 132.80 2ksq n ILE 49 Ca 0.06 -5.82 0.00 0.00 0.56 0.00 0.00 62.75 57.55 2ksq n ILE 49 Cb 0.47 -1.54 0.00 0.00 -0.75 0.00 0.00 39.64 37.82 2ksq n ILE 49 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2ksq n GLY 50 N -0.03 -0.63 3.04 7.39 0.00 -1.26 -5.04 105.19 108.65 2ksq n GLY 50 Ca 0.40 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.92 0.44 -0.13 1.61 -0.12 -1.26 -2.53 117.98 114.07 2ksq s PHE 51 Ca 0.00 -0.73 -0.04 0.00 -0.05 0.00 0.00 56.93 56.11 2ksq s PHE 51 Cb 0.00 -0.30 0.06 0.00 -0.63 0.00 0.00 43.02 42.15 2ksq s PHE 51 CO 0.00 -0.24 0.18 -0.80 -0.05 0.00 0.00 175.22 174.31 2ksq s ASN 52 N -2.06 1.09 0.35 1.98 -0.87 -0.95 -4.96 114.94 109.51 2ksq s ASN 52 Ca -0.06 0.08 -0.16 0.00 -1.57 0.00 0.00 52.86 51.15 2ksq s ASN 52 Cb -0.03 0.28 -0.09 0.00 -0.02 0.00 0.00 41.25 41.39 2ksq s ASN 52 CO -0.04 -0.28 0.78 -0.69 -2.57 0.00 0.00 177.10 174.30 2ksq s VAL 53 N 2.30 4.62 -0.08 1.60 1.01 -1.26 0.08 120.40 128.66 2ksq s VAL 53 Ca 0.04 1.05 -0.03 0.00 0.00 0.00 0.00 61.98 63.05 2ksq s VAL 53 Cb -0.14 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.68 2ksq s VAL 53 CO -0.08 -0.22 0.06 -1.61 0.00 0.00 0.00 175.10 173.25 2ksq s GLU 54 N -3.03 0.04 -0.43 2.72 0.41 -0.65 -4.94 118.70 112.81 2ksq s GLU 54 Ca 0.56 0.20 -0.21 0.00 -0.41 0.00 0.00 54.97 55.11 2ksq s GLU 54 Cb -0.10 -0.98 0.02 0.00 -1.78 0.00 0.00 34.13 31.30 2ksq s GLU 54 CO 0.17 -0.43 0.64 0.00 -0.49 0.00 0.00 175.26 175.14 2ksq s VAL 56 N 2.80 1.33 -0.13 0.00 0.11 -0.75 -5.04 120.40 118.73 2ksq s VAL 56 Ca 0.23 -0.72 -0.03 0.00 -2.93 0.00 0.00 61.98 58.53 2ksq s VAL 56 Cb -0.14 -1.11 -0.03 0.00 -1.53 0.00 0.00 36.38 33.56 2ksq s VAL 56 CO 0.19 0.38 -0.03 -1.58 -3.33 0.00 0.00 175.10 170.73 2ksq s GLN 57 N -0.34 3.39 -0.18 1.54 2.00 -1.26 -0.54 119.66 124.26 2ksq s GLN 57 Ca 0.05 -0.48 -0.09 0.00 -2.00 0.00 0.00 55.36 52.84 2ksq s GLN 57 Cb -0.07 -2.86 0.06 0.00 0.80 0.00 0.00 33.01 30.95 2ksq s GLN 57 CO -0.00 0.42 0.42 -0.47 -0.50 0.00 0.00 175.29 175.16 2ksq s TYR 58 N -0.11 -0.65 -1.41 1.67 5.04 0.10 -4.92 117.35 117.07 2ksq s TYR 58 Ca 0.03 1.36 -0.10 0.00 -2.44 0.00 0.00 57.07 55.92 2ksq s TYR 58 Cb -0.13 0.29 0.04 0.00 0.35 0.00 0.00 41.96 42.51 2ksq s TYR 58 CO 0.02 -0.37 1.09 0.00 -1.34 0.00 0.00 175.55 174.95 2ksq n ASN 60 N -2.96 -0.28 -4.90 0.00 3.02 -1.26 -5.00 115.26 103.88 2ksq n ASN 60 Ca -0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.30 2ksq n ASN 60 Cb 0.56 -0.75 -0.04 0.00 -0.61 0.00 0.00 39.78 38.94 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 -3.05 5.05 -0.72 2.41 1.01 -0.08 -4.90 121.20 120.92 2ksq s ILE 61 Ca 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 2ksq s ILE 61 Cb 0.00 -3.63 0.18 0.00 0.01 0.00 0.00 42.46 39.03 2ksq s ILE 61 CO 0.00 -0.15 0.57 -0.44 0.00 0.00 0.00 174.94 174.92 2ksq s SER 62 N -3.35 5.66 -0.15 3.58 0.01 0.15 -0.72 113.70 118.88 2ksq s SER 62 Ca 0.33 -3.00 -0.28 0.00 1.31 0.00 0.00 55.95 54.32 2ksq s SER 62 Cb -0.10 -1.93 -0.01 0.00 0.21 0.00 0.00 66.02 64.19 2ksq s SER 62 CO 0.27 -0.37 0.97 -0.36 0.41 0.00 0.00 173.24 174.16 2ksq s PHE 63 N -0.28 3.45 -0.26 2.43 0.08 0.29 -2.06 117.98 121.63 2ksq s PHE 63 Ca 0.19 1.48 -0.08 0.00 0.12 0.00 0.00 56.93 58.64 2ksq s PHE 63 Cb -0.16 -3.16 -0.02 0.00 -0.57 0.00 0.00 43.02 39.10 2ksq s PHE 63 CO -0.06 -0.29 0.08 0.99 -0.10 0.00 0.00 175.22 175.84 2ksq s THR 64 N 2.33 4.34 -0.26 0.64 2.01 -0.48 -1.81 115.64 122.41 2ksq s THR 64 Ca 0.45 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.24 2ksq s THR 64 Cb -0.17 -3.07 0.06 0.00 0.01 0.00 0.00 72.50 69.33 2ksq s THR 64 CO 0.14 0.29 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.56 2ksq s VAL 65 N 1.61 2.09 -0.04 3.82 1.01 -0.80 0.11 120.40 128.19 2ksq s VAL 65 Ca 0.06 -1.57 -0.24 0.00 0.00 0.00 0.00 61.98 60.22 2ksq s VAL 65 Cb -0.15 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2ksq s VAL 65 CO 0.04 -0.03 0.74 0.86 0.00 0.00 0.00 175.10 176.71 2ksq s TRP 66 N 1.14 3.61 -0.37 5.22 -0.11 -0.72 -1.64 118.94 126.06 2ksq s TRP 66 Ca -0.08 1.32 -0.02 0.00 1.22 0.00 0.00 56.10 58.54 2ksq s TRP 66 Cb -0.20 -2.84 0.09 0.00 -1.50 0.00 0.00 33.47 29.03 2ksq s TRP 66 CO -0.05 0.10 0.13 0.34 -4.62 0.00 0.00 176.95 172.86 2ksq s ASP 67 N 0.70 5.12 0.07 5.86 2.15 0.11 0.83 116.67 131.51 2ksq s ASP 67 Ca 0.39 -1.84 -0.29 0.00 0.43 0.00 0.00 52.55 51.24 2ksq s ASP 67 Cb -0.18 -1.78 -0.05 0.00 -0.30 0.00 0.00 42.92 40.60 2ksq s ASP 67 CO 0.20 -0.45 0.92 0.68 -0.17 0.00 0.00 175.17 176.34 2ksq s VAL 68 N 1.15 4.63 0.00 1.11 -7.23 -1.12 -2.24 120.40 116.70 2ksq s VAL 68 Ca 0.05 1.96 0.00 0.00 -1.81 0.00 0.00 61.98 62.18 2ksq s VAL 68 Cb -0.22 -4.27 0.00 0.00 0.56 0.00 0.00 36.38 32.45 2ksq s VAL 68 CO -0.04 0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 2ksq n GLY 69 N 2.42 0.40 7.00 2.32 0.00 -1.05 -4.56 105.19 111.72 2ksq n GLY 69 Ca 0.02 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 5.00 3.04 0.00 -0.02 0.00 0.22 -4.63 105.19 108.79 2ksq n GLY 70 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2ksq n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksq n GLN 71 N 11.69 0.00 0.30 1.61 10.64 -1.26 -3.12 117.38 137.25 2ksq n GLN 71 Ca 0.00 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.00 2ksq n GLN 71 Cb 0.00 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.29 2ksq n GLN 71 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 2ksq h ASP 72 N 0.00 -0.62 0.16 2.61 3.58 -1.90 0.92 116.42 121.18 2ksq h ASP 72 Ca 0.00 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2ksq h ASP 72 Cb 0.00 0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 2ksq h ASP 72 CO 0.00 -0.43 -0.04 -0.09 -2.88 0.00 0.00 179.24 175.79 2ksq h ARG 73 N -0.74 0.00 -0.00 0.28 9.65 -1.94 -1.58 114.38 120.05 2ksq h ARG 73 Ca -0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2ksq h ARG 73 Cb 0.56 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 2ksq h ARG 73 CO 0.12 0.04 -0.80 -0.89 2.80 0.00 0.00 179.97 181.25 2ksq n ILE 74 N -3.66 0.00 -0.16 1.20 2.08 -0.96 -4.37 119.36 113.48 2ksq n ILE 74 Ca -0.02 -0.08 0.16 0.00 0.56 0.00 0.00 62.75 63.37 2ksq n ILE 74 Cb 0.14 1.02 0.52 0.00 -0.75 0.00 0.00 39.64 40.58 2ksq n ILE 74 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 2ksq h ARG 75 N 0.76 0.37 0.00 0.38 1.12 0.19 0.12 114.38 117.33 2ksq h ARG 75 Ca 0.00 -0.02 -0.10 0.00 -1.11 0.00 0.00 59.98 58.74 2ksq h ARG 75 Cb 0.58 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 2ksq h ARG 75 CO 0.00 0.25 -0.50 0.66 -3.11 0.00 0.00 179.97 177.27 2ksq h SER 76 N 0.38 0.00 0.40 -3.80 4.64 -1.76 -2.94 113.55 110.46 2ksq h SER 76 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2ksq h SER 76 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2ksq h SER 76 CO -0.11 0.50 0.00 0.18 -0.87 0.00 0.00 176.83 176.52 2ksq n LEU 77 N -3.60 0.00 0.04 5.97 4.77 0.42 -3.09 117.00 121.51 2ksq n LEU 77 Ca -0.00 0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 56.18 2ksq n LEU 77 Cb 0.58 -0.31 -0.13 0.00 -2.33 0.00 0.00 43.42 41.23 2ksq n LEU 77 CO 0.39 -0.11 -0.14 -0.50 -1.33 0.00 0.00 177.39 175.70 2ksq h TRP 78 N 0.00 0.11 0.00 -1.77 6.55 -1.49 -3.29 115.95 116.07 2ksq h TRP 78 Ca 0.00 -0.08 0.00 0.00 0.95 0.00 0.00 58.89 59.76 2ksq h TRP 78 Cb 0.20 -0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.49 2ksq h TRP 78 CO 0.00 1.09 0.00 2.89 -1.05 0.00 0.00 178.44 181.37 2ksq n ARG 79 N -3.30 0.23 0.02 0.49 1.85 -1.18 -2.49 116.66 112.29 2ksq n ARG 79 Ca -0.08 0.11 0.11 0.00 -1.00 0.00 0.00 57.85 56.99 2ksq n ARG 79 Cb 1.00 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.89 2ksq n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2ksq n HIS 80 N -1.32 0.21 0.49 2.89 8.25 -1.24 -4.19 115.22 120.31 2ksq n HIS 80 Ca 0.09 0.06 0.06 0.00 -0.26 0.00 0.00 57.72 57.66 2ksq n HIS 80 Cb 0.17 -0.39 0.04 0.00 1.12 0.00 0.00 29.99 30.93 2ksq n HIS 80 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2ksq n TYR 81 N -1.93 0.00 0.08 4.41 4.01 -1.04 -4.57 117.16 118.13 2ksq n TYR 81 Ca 0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 2ksq n TYR 81 Cb 0.43 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.55 2ksq n TYR 81 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2ksq n TYR 82 N 0.53 1.24 0.23 -0.72 4.01 -1.13 -4.40 117.16 116.92 2ksq n TYR 82 Ca 0.06 -0.96 0.12 0.00 -0.16 0.00 0.00 57.90 56.96 2ksq n TYR 82 Cb 0.28 -0.51 0.72 0.00 -0.31 0.00 0.00 39.34 39.53 2ksq n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ksq n ASN 84 N -4.30 -1.11 -4.70 0.00 2.85 -1.26 -5.13 115.26 101.60 2ksq n ASN 84 Ca -0.01 -1.74 -0.42 0.00 -0.11 0.00 0.00 54.58 52.30 2ksq n ASN 84 Cb 0.18 0.81 -0.03 0.00 1.24 0.00 0.00 39.78 41.98 2ksq n ASN 84 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2ksq s THR 85 N 0.06 3.99 0.05 -0.44 -4.23 -1.26 -4.62 115.64 109.19 2ksq s THR 85 Ca 0.07 1.39 -0.14 0.00 -1.18 0.00 0.00 61.69 61.83 2ksq s THR 85 Cb 0.15 -3.89 -0.31 0.00 1.34 0.00 0.00 72.50 69.78 2ksq s THR 85 CO -0.04 0.06 1.08 -0.33 -0.54 0.00 0.00 174.62 174.85 2ksq h GLU 86 N 7.12 0.58 -1.90 3.99 3.07 0.50 -3.41 114.58 124.53 2ksq h GLU 86 Ca -0.39 -0.84 0.02 0.00 -0.50 0.00 0.00 59.36 57.64 2ksq h GLU 86 Cb 1.20 0.29 -0.22 0.00 -0.84 0.00 0.00 28.75 29.17 2ksq h GLU 86 CO 0.85 1.39 0.15 0.20 -1.40 0.00 0.00 179.01 180.19 2ksq s GLY 87 N -4.50 -0.48 -0.11 -3.84 0.00 -0.68 -2.82 107.32 94.89 2ksq s GLY 87 Ca -0.09 2.41 -0.03 0.00 0.00 0.00 0.00 44.72 47.01 2ksq s GLY 87 CO 0.94 2.15 0.02 -1.34 0.00 0.00 0.00 173.10 174.87 2ksq s VAL 88 N 1.04 4.47 -0.55 1.40 -7.23 -0.90 -2.77 120.40 115.86 2ksq s VAL 88 Ca -0.05 -0.18 -0.19 0.00 -1.81 0.00 0.00 61.98 59.75 2ksq s VAL 88 Cb -0.05 -2.92 0.08 0.00 0.56 0.00 0.00 36.38 34.05 2ksq s VAL 88 CO -0.11 0.58 0.67 -0.63 -0.31 0.00 0.00 175.10 175.30 2ksq s ILE 89 N -0.60 4.83 -0.20 -0.62 1.01 0.28 0.09 121.20 125.99 2ksq s ILE 89 Ca 0.10 -0.71 -0.27 0.00 0.00 0.00 0.00 60.65 59.78 2ksq s ILE 89 Cb -0.12 -4.40 -0.00 0.00 0.01 0.00 0.00 42.46 37.95 2ksq s ILE 89 CO 0.02 -0.97 0.91 0.12 0.00 0.00 0.00 174.94 175.02 2ksq s PHE 90 N 2.70 3.38 -0.18 3.97 2.19 0.32 -2.81 117.98 127.54 2ksq s PHE 90 Ca 0.14 1.32 -0.14 0.00 0.33 0.00 0.00 56.93 58.58 2ksq s PHE 90 Cb -0.21 -3.11 -0.05 0.00 -1.31 0.00 0.00 43.02 38.34 2ksq s PHE 90 CO 0.09 -0.35 0.29 0.54 1.83 0.00 0.00 175.22 177.63 2ksq s VAL 91 N 2.62 5.30 -0.08 3.12 0.11 -0.48 -0.95 120.40 130.03 2ksq s VAL 91 Ca 0.40 0.53 -0.01 0.00 -2.93 0.00 0.00 61.98 59.97 2ksq s VAL 91 Cb -0.16 -3.63 0.03 0.00 -1.53 0.00 0.00 36.38 31.08 2ksq s VAL 91 CO 0.10 0.36 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.51 2ksq s VAL 92 N 0.68 0.59 0.12 2.04 1.01 -1.16 -4.37 120.40 119.32 2ksq s VAL 92 Ca 0.16 -0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.79 2ksq s VAL 92 Cb -0.13 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.47 2ksq s VAL 92 CO 0.04 0.28 1.64 -0.62 0.00 0.00 0.00 175.10 176.45 2ksq s ASP 93 N 1.70 6.56 -0.04 3.32 -1.08 -1.26 0.45 116.67 126.31 2ksq s ASP 93 Ca 0.02 2.59 -0.03 0.00 -0.52 0.00 0.00 52.55 54.62 2ksq s ASP 93 Cb -0.13 -2.58 -0.27 0.00 -1.46 0.00 0.00 42.92 38.48 2ksq s ASP 93 CO -0.05 -0.88 0.67 0.28 0.52 0.00 0.00 175.17 175.72 2ksq h SER 94 N 7.60 0.36 -0.01 -0.34 0.02 -1.20 -3.33 113.55 116.65 2ksq h SER 94 Ca -0.43 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 59.91 2ksq h SER 94 Cb 1.20 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2ksq h SER 94 CO 0.93 1.53 0.00 -3.20 -1.14 0.00 0.00 176.83 174.95 2ksq n ASN 95 N -3.41 0.35 -4.03 3.07 4.05 -1.26 -3.32 115.26 110.71 2ksq n ASN 95 Ca -0.22 -1.23 -0.35 0.00 0.45 0.00 0.00 54.58 53.24 2ksq n ASN 95 Cb 1.05 -0.01 -0.07 0.00 1.23 0.00 0.00 39.78 41.98 2ksq n ASN 95 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2ksq n ASP 96 N -0.68 4.14 0.21 1.20 9.92 -1.25 -4.87 116.55 125.22 2ksq n ASP 96 Ca 0.20 -3.18 0.06 0.00 -0.53 0.00 0.00 54.79 51.34 2ksq n ASP 96 Cb 0.15 -1.00 0.46 0.00 -0.64 0.00 0.00 41.12 40.10 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 5.73 0.00 -0.51 -1.24 0.11 -1.86 -2.87 114.38 113.75 2ksq h ARG 97 Ca 0.17 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.31 2ksq h ARG 97 Cb 0.78 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.80 2ksq h ARG 97 CO 0.86 0.29 0.19 1.03 0.10 0.00 0.00 179.97 182.45 2ksq h SER 98 N 0.00 0.20 0.01 0.08 0.87 -1.97 -2.11 113.55 110.63 2ksq h SER 98 Ca -0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2ksq h SER 98 Cb 0.62 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2ksq h SER 98 CO 0.04 0.14 -0.06 0.54 -0.53 0.00 0.00 176.83 176.96 2ksq n ARG 99 N -4.99 1.70 -0.15 2.24 1.74 -1.18 -4.47 116.66 111.55 2ksq n ARG 99 Ca 0.05 -1.15 0.27 0.00 -0.77 0.00 0.00 57.85 56.26 2ksq n ARG 99 Cb 0.20 -1.48 0.55 0.00 -1.02 0.00 0.00 32.46 30.71 2ksq n ARG 99 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2ksq h ILE 100 N 2.80 0.11 0.03 0.55 6.09 -1.15 0.84 117.51 126.78 2ksq h ILE 100 Ca 0.00 0.00 -0.28 0.00 -1.37 0.00 0.00 64.86 63.21 2ksq h ILE 100 Cb 0.64 0.19 -0.03 0.00 0.47 0.00 0.00 36.82 38.08 2ksq h ILE 100 CO 0.00 0.00 -1.51 1.23 -3.07 0.00 0.00 178.15 174.80 2ksq h GLY 101 N 0.00 0.08 0.87 8.18 0.00 -1.79 -3.08 103.07 107.34 2ksq h GLY 101 Ca 0.43 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 2ksq h GLY 101 CO -0.00 0.18 0.02 0.83 0.00 0.00 0.00 176.54 177.57 2ksq h GLU 102 N 0.02 0.07 -0.27 4.80 4.39 0.38 0.29 114.58 124.25 2ksq h GLU 102 Ca -0.22 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.48 2ksq h GLU 102 Cb 1.95 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.58 2ksq h GLU 102 CO 0.11 0.19 0.16 0.00 -1.16 0.00 0.00 179.01 178.31 2ksq h ALA 103 N 0.88 0.34 -0.29 3.43 0.00 -1.56 -0.18 119.26 121.89 2ksq h ALA 103 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ksq h ALA 103 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2ksq h ALA 103 CO -0.00 -0.21 0.19 -0.09 0.00 0.00 0.00 179.25 179.13 2ksq h ARG 104 N 0.33 0.38 -0.57 0.00 2.43 -1.42 -2.31 114.38 113.23 2ksq h ARG 104 Ca 0.11 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2ksq h ARG 104 Cb -0.01 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 2ksq h ARG 104 CO -0.05 0.27 0.33 0.93 -1.51 0.00 0.00 179.97 179.94 2ksq h GLU 105 N 0.38 0.78 -0.40 0.20 4.39 -0.12 -1.67 114.58 118.14 2ksq h GLU 105 Ca 0.10 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 2ksq h GLU 105 Cb -0.03 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 2ksq h GLU 105 CO -0.02 0.56 0.02 0.28 -1.16 0.00 0.00 179.01 178.69 2ksq h VAL 106 N 0.79 1.21 -0.32 3.13 2.07 -0.57 -2.68 116.25 119.89 2ksq h VAL 106 Ca 0.21 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2ksq h VAL 106 Cb -0.01 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2ksq h VAL 106 CO -0.04 0.29 0.17 0.24 0.02 0.00 0.00 177.57 178.25 2ksq h MET 107 N 0.61 0.45 -0.77 1.57 2.86 -0.78 -2.80 114.93 116.06 2ksq h MET 107 Ca 0.13 -0.06 0.11 0.00 -2.06 0.00 0.00 59.70 57.82 2ksq h MET 107 Cb 0.35 -0.08 -0.08 0.00 0.06 0.00 0.00 31.60 31.85 2ksq h MET 107 CO 0.01 0.39 0.39 1.96 1.06 0.00 0.00 176.91 180.72 2ksq h GLN 108 N 0.38 0.61 -0.55 1.72 7.50 -1.20 0.35 115.11 123.92 2ksq h GLN 108 Ca 0.11 -0.04 0.05 0.00 0.50 0.00 0.00 58.65 59.27 2ksq h GLN 108 Cb 0.08 -0.14 -0.05 0.00 0.05 0.00 0.00 27.48 27.43 2ksq h GLN 108 CO -0.02 0.40 0.29 -0.09 -1.50 0.00 0.00 178.83 177.92 2ksq h ARG 109 N 0.63 0.54 -0.35 1.46 9.65 -1.33 0.17 114.38 125.15 2ksq h ARG 109 Ca 0.39 -0.03 -0.16 0.00 -1.10 0.00 0.00 59.98 59.08 2ksq h ARG 109 Cb 0.46 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 2ksq h ARG 109 CO -0.30 0.36 -0.41 1.98 2.80 0.00 0.00 179.97 184.40 2ksq h MET 110 N 0.55 0.88 0.00 0.20 4.05 -1.06 -2.97 114.93 116.58 2ksq h MET 110 Ca 0.24 -0.47 -0.08 0.00 -0.28 0.00 0.00 59.70 59.11 2ksq h MET 110 Cb 0.14 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 2ksq h MET 110 CO -0.16 1.12 -0.40 -0.07 0.23 0.00 0.00 176.91 177.62 2ksq h LEU 111 N 0.71 0.00 -1.56 3.39 3.38 0.31 -2.91 115.31 118.63 2ksq h LEU 111 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2ksq h LEU 111 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2ksq h LEU 111 CO 0.10 0.40 0.00 -0.46 0.09 0.00 0.00 178.44 178.57 2ksq n ASN 112 N -3.73 2.36 -4.70 -0.43 6.94 0.53 -4.84 115.26 111.40 2ksq n ASN 112 Ca -0.01 -1.80 -0.41 0.00 -0.02 0.00 0.00 54.58 52.34 2ksq n ASN 112 Cb 0.48 -0.11 -0.04 0.00 -2.36 0.00 0.00 39.78 37.75 2ksq n ASN 112 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2ksq s GLU 113 N -1.78 4.38 0.41 -3.83 2.12 -1.10 -4.93 118.70 113.97 2ksq s GLU 113 Ca 0.34 0.96 0.10 0.00 0.36 0.00 0.00 54.97 56.74 2ksq s GLU 113 Cb 0.20 -3.50 0.85 0.00 0.26 0.00 0.00 34.13 31.94 2ksq s GLU 113 CO 0.30 -0.10 1.96 0.22 -0.54 0.00 0.00 175.26 177.09 2ksq h ASP 114 N 7.01 0.22 0.83 -1.70 3.58 -1.90 -0.77 116.42 123.70 2ksq h ASP 114 Ca -0.36 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.05 2ksq h ASP 114 Cb 1.17 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2ksq h ASP 114 CO 0.78 0.33 0.00 -0.33 -2.88 0.00 0.00 179.24 177.14 2ksq h GLU 115 N 0.24 0.00 0.00 0.28 5.08 -1.94 -3.00 114.58 115.24 2ksq h GLU 115 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2ksq h GLU 115 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2ksq h GLU 115 CO 0.01 0.00 -0.01 1.28 -1.00 0.00 0.00 179.01 179.29 2ksq n LEU 116 N -2.33 2.09 0.00 1.33 7.99 -0.38 -4.67 117.00 121.03 2ksq n LEU 116 Ca 0.02 -2.45 0.11 0.00 -0.01 0.00 0.00 56.01 53.68 2ksq n LEU 116 Cb 0.26 -0.20 0.56 0.00 -0.11 0.00 0.00 43.42 43.92 2ksq n LEU 116 CO 0.22 0.58 0.84 0.00 -1.51 0.00 0.00 177.39 177.52 2ksq n ASN 118 N -1.26 0.92 -4.90 0.00 5.03 -1.26 -5.01 115.26 108.78 2ksq n ASN 118 Ca 0.11 -0.96 -0.32 0.00 0.87 0.00 0.00 54.58 54.28 2ksq n ASN 118 Cb 0.16 0.55 -0.05 0.00 -1.02 0.00 0.00 39.78 39.42 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ksq s ALA 119 N -1.18 3.81 0.87 5.41 0.00 -1.08 -4.92 121.76 124.67 2ksq s ALA 119 Ca 0.05 -0.58 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 2ksq s ALA 119 Cb 0.06 -2.10 0.12 0.00 0.00 0.00 0.00 23.12 21.20 2ksq s ALA 119 CO 0.19 0.68 1.22 0.00 0.00 0.00 0.00 175.76 177.85 2ksq s ALA 120 N -1.62 2.42 -0.43 0.00 0.00 -1.13 -4.88 121.76 116.13 2ksq s ALA 120 Ca 0.39 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.61 2ksq s ALA 120 Cb -0.12 -2.91 0.20 0.00 0.00 0.00 0.00 23.12 20.29 2ksq s ALA 120 CO 0.24 -1.98 0.50 0.91 0.00 0.00 0.00 175.76 175.43 2ksq n TRP 121 N -3.51 -1.42 -2.82 0.00 8.01 -0.87 -2.12 117.44 114.71 2ksq n TRP 121 Ca 0.10 -2.95 -0.43 0.00 -1.31 0.00 0.00 57.50 52.91 2ksq n TRP 121 Cb 0.60 0.39 -0.04 0.00 -2.01 0.00 0.00 31.31 30.25 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 -0.24 4.01 -0.09 -0.99 0.20 0.11 -2.71 118.68 118.97 2ksq s LEU 122 Ca 0.33 0.59 -0.13 0.00 0.69 0.00 0.00 54.13 55.61 2ksq s LEU 122 Cb 0.09 -3.25 -0.05 0.00 -0.43 0.00 0.00 46.19 42.55 2ksq s LEU 122 CO -0.16 -0.84 0.31 -0.69 -0.29 0.00 0.00 176.35 174.69 2ksq s VAL 123 N 3.43 5.23 -0.24 1.68 1.01 0.30 0.12 120.40 131.93 2ksq s VAL 123 Ca 0.38 0.61 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 2ksq s VAL 123 Cb -0.12 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.70 2ksq s VAL 123 CO 0.18 0.51 0.01 -0.36 0.00 0.00 0.00 175.10 175.43 2ksq s PHE 124 N -0.43 1.86 -0.33 5.22 0.40 -0.13 -0.45 117.98 124.11 2ksq s PHE 124 Ca 0.19 -1.49 -0.28 0.00 -0.60 0.00 0.00 56.93 54.75 2ksq s PHE 124 Cb -0.14 -1.47 -0.06 0.00 0.51 0.00 0.00 43.02 41.86 2ksq s PHE 124 CO 0.08 -0.74 2.30 0.00 0.70 0.00 0.00 175.22 177.56 2ksq n ALA 125 N 4.81 1.37 -1.81 5.36 0.00 0.29 -2.97 120.51 127.56 2ksq n ALA 125 Ca -0.09 -0.51 -0.30 0.00 0.00 0.00 0.00 53.44 52.54 2ksq n ALA 125 Cb 0.45 -3.01 0.04 0.00 0.00 0.00 0.00 19.45 16.92 2ksq n ALA 125 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ksq s ASN 126 N 9.80 5.59 -1.64 0.00 3.04 0.17 -1.99 114.94 129.90 2ksq s ASN 126 Ca 1.01 1.29 0.00 0.00 0.04 0.00 0.00 52.86 55.19 2ksq s ASN 126 Cb -0.30 -2.17 0.00 0.00 -1.54 0.00 0.00 41.25 37.24 2ksq s ASN 126 CO 0.32 -1.27 0.00 0.29 -3.04 0.00 0.00 177.10 173.41 2ksq n LYS 127 N -2.98 -1.09 0.25 0.43 4.76 -1.26 -0.67 118.16 117.59 2ksq n LYS 127 Ca 0.07 1.04 0.08 0.00 -2.87 0.00 0.00 58.31 56.63 2ksq n LYS 127 Cb 0.56 -5.21 0.62 0.00 -1.84 0.00 0.00 35.03 29.15 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 -0.00 -1.60 -1.74 115.11 113.74 2ksq h GLN 128 Ca -0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.30 2ksq h GLN 128 Cb 1.03 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.51 2ksq h GLN 128 CO 0.47 0.12 -0.13 0.38 0.00 0.00 0.00 178.83 179.67 2ksq h ASP 129 N 0.00 0.00 -3.32 -0.69 2.03 -1.90 -3.41 116.42 109.14 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 0.25 0.00 0.08 0.00 -0.83 0.00 0.00 39.33 38.83 2ksq h ASP 129 CO 0.02 0.13 0.89 -0.76 -1.03 0.00 0.00 179.24 178.48 2ksq s LEU 130 N -7.01 4.35 0.54 0.15 1.43 -0.65 -4.86 118.68 112.62 2ksq s LEU 130 Ca -0.02 2.94 0.34 0.00 -1.03 0.00 0.00 54.13 56.36 2ksq s LEU 130 Cb 0.12 -3.63 1.51 0.00 0.03 0.00 0.00 46.19 44.22 2ksq s LEU 130 CO 0.58 -0.91 1.84 -0.65 0.23 0.00 0.00 176.35 177.44 2ksq h PRO 131 N 4.90 0.01 -0.84 1.29 0.11 -1.89 0.50 132.00 136.08 2ksq h PRO 131 Ca -0.47 -0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.27 2ksq h PRO 131 Cb 1.22 -0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.11 2ksq h PRO 131 CO 0.80 0.01 0.45 -1.91 -0.21 0.00 0.00 178.00 177.13 2ksq n GLU 132 N -4.23 2.80 -2.14 1.05 2.13 -1.26 -4.99 120.64 114.00 2ksq n GLU 132 Ca 0.22 -3.06 -0.42 0.00 0.66 0.00 0.00 57.16 54.57 2ksq n GLU 132 Cb 1.11 -2.16 -0.03 0.00 0.27 0.00 0.00 31.44 30.63 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ksq s ALA 133 N -3.18 3.59 0.52 4.31 0.00 0.18 -4.50 121.76 122.69 2ksq s ALA 133 Ca 0.55 1.17 -0.21 0.00 0.00 0.00 0.00 51.96 53.47 2ksq s ALA 133 Cb 0.46 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 2ksq s ALA 133 CO 0.11 -0.62 1.23 -1.64 0.00 0.00 0.00 175.76 174.84 2ksq s MET 134 N 0.53 3.35 0.67 0.00 -1.94 -1.21 -4.93 119.30 115.78 2ksq s MET 134 Ca 0.62 1.92 -0.11 0.00 -1.71 0.00 0.00 55.69 56.41 2ksq s MET 134 Cb -0.38 -2.22 -0.01 0.00 2.01 0.00 0.00 34.83 34.23 2ksq s MET 134 CO 0.34 -0.93 1.05 -1.54 -0.01 0.00 0.00 175.02 173.94 2ksq s SER 135 N -1.31 5.64 0.40 3.03 1.04 -1.26 -4.91 113.70 116.33 2ksq s SER 135 Ca 0.70 1.53 0.13 0.00 0.48 0.00 0.00 55.95 58.80 2ksq s SER 135 Cb -0.32 -2.46 0.84 0.00 0.10 0.00 0.00 66.02 64.17 2ksq s SER 135 CO 0.38 -1.26 1.89 0.00 0.98 0.00 0.00 173.24 175.23 2ksq h ALA 136 N -0.59 1.51 -0.60 5.32 0.00 -1.99 -2.54 119.26 120.37 2ksq h ALA 136 Ca -0.44 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 2ksq h ALA 136 Cb 1.21 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2ksq h ALA 136 CO 0.59 0.37 0.06 0.00 0.00 0.00 0.00 179.25 180.26 2ksq h ALA 137 N 1.71 0.97 0.01 0.00 0.00 -1.99 -1.08 119.26 118.88 2ksq h ALA 137 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2ksq h ALA 137 Cb 0.52 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ksq h ALA 137 CO 0.04 0.64 -0.13 0.93 0.00 0.00 0.00 179.25 180.73 2ksq h GLU 138 N 0.93 0.08 -0.97 0.00 4.39 -1.89 -2.15 114.58 114.97 2ksq h GLU 138 Ca 0.18 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.80 2ksq h GLU 138 Cb 0.46 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 2ksq h GLU 138 CO 0.02 0.89 0.64 0.82 -1.16 0.00 0.00 179.01 180.22 2ksq h ILE 139 N -0.70 1.24 0.09 3.13 2.04 -1.50 -0.59 117.51 121.22 2ksq h ILE 139 Ca -0.02 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 2ksq h ILE 139 Cb 0.94 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2ksq h ILE 139 CO 0.02 0.24 -0.04 0.74 0.00 0.00 0.00 178.15 179.11 2ksq h THR 140 N 1.30 1.13 0.33 -0.27 2.02 -1.28 -2.55 112.91 113.60 2ksq h THR 140 Ca 0.36 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 2ksq h THR 140 Cb -0.13 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2ksq h THR 140 CO -0.08 0.22 -0.25 -0.08 0.37 0.00 0.00 175.52 175.70 2ksq h GLU 141 N -0.56 -0.57 -0.54 6.66 4.81 -1.21 -2.23 114.58 120.94 2ksq h GLU 141 Ca -0.01 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 2ksq h GLU 141 Cb 0.46 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2ksq h GLU 141 CO 0.02 -0.38 0.36 -0.22 -0.73 0.00 0.00 179.01 178.07 2ksq h LYS 142 N -0.59 0.29 -0.00 1.92 1.63 -1.20 0.16 116.57 118.78 2ksq h LYS 142 Ca -0.03 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2ksq h LYS 142 Cb 0.51 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 2ksq h LYS 142 CO -0.01 0.20 0.00 1.28 -3.45 0.00 0.00 179.45 177.47 2ksq n LEU 143 N -4.46 0.09 -2.51 5.20 4.77 -0.96 -4.88 117.00 114.24 2ksq n LEU 143 Ca 0.09 -0.03 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 2ksq n LEU 143 Cb 0.39 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2ksq n LEU 143 CO 0.35 0.02 -0.22 0.61 -1.33 0.00 0.00 177.39 176.81 2ksq n GLY 144 N 0.96 -0.50 0.37 -0.72 0.00 0.57 -4.87 105.19 101.01 2ksq n GLY 144 Ca 0.22 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.23 1.07 -0.82 0.99 5.85 -1.61 -0.13 115.31 120.43 2ksq h LEU 145 Ca -0.49 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.10 2ksq h LEU 145 Cb 1.36 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2ksq h LEU 145 CO 0.57 0.73 -0.57 1.12 -0.34 0.00 0.00 178.44 179.94 2ksq h HIS 146 N 1.24 0.06 0.00 1.25 2.07 -1.90 -2.86 115.15 115.02 2ksq h HIS 146 Ca 0.40 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.90 2ksq h HIS 146 Cb 0.03 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.00 2ksq h HIS 146 CO -0.00 0.61 -0.23 0.43 -3.07 0.00 0.00 177.93 175.67 2ksq n SER 147 N -3.86 0.38 -4.37 3.10 7.64 -0.70 -4.70 113.62 111.10 2ksq n SER 147 Ca -0.01 0.26 -0.40 0.00 1.01 0.00 0.00 58.87 59.72 2ksq n SER 147 Cb 0.58 -0.25 -0.11 0.00 -1.01 0.00 0.00 64.21 63.42 2ksq n SER 147 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ksq s ILE 148 N -3.04 4.56 -0.08 0.44 1.01 -0.14 -4.89 121.20 119.05 2ksq s ILE 148 Ca 0.11 -0.86 0.20 0.00 0.00 0.00 0.00 60.65 60.11 2ksq s ILE 148 Cb 0.17 -3.54 0.43 0.00 0.01 0.00 0.00 42.46 39.52 2ksq s ILE 148 CO 0.62 -0.23 1.19 -1.14 0.00 0.00 0.00 174.94 175.37 2ksq n ARG 149 N 4.99 0.63 0.00 2.79 0.63 -1.26 -4.75 116.66 119.69 2ksq n ARG 149 Ca -0.12 -2.51 0.02 0.00 -0.92 0.00 0.00 57.85 54.32 2ksq n ARG 149 Cb 0.46 -0.62 -0.02 0.00 0.45 0.00 0.00 32.46 32.72 2ksq n ARG 149 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2ksq n ASN 150 N -0.10 0.40 -3.86 6.15 0.23 -1.26 -5.00 115.26 111.82 2ksq n ASN 150 Ca 0.11 -0.70 -0.17 0.00 -0.53 0.00 0.00 54.58 53.29 2ksq n ASN 150 Cb 0.98 0.86 -0.16 0.00 -2.08 0.00 0.00 39.78 39.39 2ksq n ASN 150 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2ksq s ARG 151 N -1.33 0.36 -0.71 -3.83 1.81 -1.26 -5.09 118.95 108.90 2ksq s ARG 151 Ca 0.02 -0.00 -0.26 0.00 -1.72 0.00 0.00 55.73 53.77 2ksq s ARG 151 Cb 0.04 -0.47 -0.05 0.00 -0.45 0.00 0.00 34.95 34.03 2ksq s ARG 151 CO 0.18 -0.07 2.01 -1.25 -0.68 0.00 0.00 175.30 175.50 2ksq s PRO 152 N 0.69 2.44 -0.03 3.54 0.04 -1.26 -4.92 135.00 135.49 2ksq s PRO 152 Ca -0.07 0.40 -0.08 0.00 0.04 0.00 0.00 61.00 61.30 2ksq s PRO 152 Cb -0.10 -4.67 0.01 0.00 0.04 0.00 0.00 34.50 29.77 2ksq s PRO 152 CO -0.01 -3.18 0.17 1.67 0.04 0.00 0.00 177.00 175.69 2ksq s TRP 153 N 10.35 -0.07 0.04 0.56 1.48 -1.26 -2.05 118.94 127.99 2ksq s TRP 153 Ca 0.74 0.15 -0.00 0.00 -1.06 0.00 0.00 56.10 55.93 2ksq s TRP 153 Cb -0.11 0.01 -0.03 0.00 -1.16 0.00 0.00 33.47 32.18 2ksq s TRP 153 CO 0.13 -0.22 -0.04 -0.06 -4.06 0.00 0.00 176.95 172.70 2ksq s PHE 154 N -0.79 0.47 -0.11 1.66 0.40 -1.10 -4.98 117.98 113.53 2ksq s PHE 154 Ca -0.09 -0.79 0.01 0.00 -0.60 0.00 0.00 56.93 55.46 2ksq s PHE 154 Cb -0.05 -0.33 -0.02 0.00 0.51 0.00 0.00 43.02 43.14 2ksq s PHE 154 CO 0.01 -0.26 -0.14 -1.50 0.70 0.00 0.00 175.22 174.03 2ksq s ILE 155 N -2.70 2.97 -0.03 0.64 2.07 -1.25 0.11 121.20 123.00 2ksq s ILE 155 Ca -0.03 -0.70 0.02 0.00 -1.41 0.00 0.00 60.65 58.52 2ksq s ILE 155 Cb -0.01 -2.22 0.01 0.00 0.13 0.00 0.00 42.46 40.37 2ksq s ILE 155 CO -0.05 0.54 -0.06 -1.10 -1.91 0.00 0.00 174.94 172.36 2ksq s GLN 156 N 0.15 0.84 -0.17 3.50 -1.52 0.40 -4.97 119.66 117.88 2ksq s GLN 156 Ca -0.07 -0.19 -0.29 0.00 -1.95 0.00 0.00 55.36 52.85 2ksq s GLN 156 Cb -0.15 -0.81 -0.01 0.00 -0.22 0.00 0.00 33.01 31.83 2ksq s GLN 156 CO 0.05 0.01 1.16 0.00 -0.25 0.00 0.00 175.29 176.27 2ksq s ALA 157 N 0.52 3.64 0.08 6.09 0.00 -1.26 0.10 121.76 130.93 2ksq s ALA 157 Ca -0.07 0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.31 2ksq s ALA 157 Cb -0.11 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2ksq s ALA 157 CO 0.00 -1.05 -0.13 -0.08 0.00 0.00 0.00 175.76 174.50 2ksq s THR 158 N 3.16 1.11 -0.31 0.00 -1.32 -0.84 -4.86 115.64 112.57 2ksq s THR 158 Ca 0.51 -1.42 0.02 0.00 -1.21 0.00 0.00 61.69 59.59 2ksq s THR 158 Cb -0.20 -1.18 0.09 0.00 -1.51 0.00 0.00 72.50 69.71 2ksq s THR 158 CO 0.13 -0.31 0.06 0.00 -2.21 0.00 0.00 174.62 172.29 2ksq h ALA 160 N 7.85 0.67 -0.96 0.00 0.00 -1.92 0.73 119.26 125.64 2ksq h ALA 160 Ca -0.10 -0.64 0.22 0.00 0.00 0.00 0.00 54.91 54.39 2ksq h ALA 160 Cb 1.02 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 2ksq h ALA 160 CO 0.49 0.82 0.62 0.00 0.00 0.00 0.00 179.25 181.18 2ksq h THR 161 N 0.15 0.65 0.00 0.00 1.03 -1.94 -2.73 112.91 110.06 2ksq h THR 161 Ca -0.03 -0.16 -0.22 0.00 -0.01 0.00 0.00 66.41 66.00 2ksq h THR 161 Cb 1.31 0.14 -0.04 0.00 -1.07 0.00 0.00 68.15 68.49 2ksq h THR 161 CO 0.12 0.09 -1.81 -1.20 -0.01 0.00 0.00 175.52 172.70 2ksq n SER 162 N -4.58 2.21 0.00 0.00 7.64 -1.20 -4.74 113.62 112.95 2ksq n SER 162 Ca 0.21 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2ksq n SER 162 Cb 0.72 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 64.55 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 2.35 0.79 3.76 0.23 0.00 0.25 -5.02 105.19 107.55 2ksq n GLY 163 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.81 4.44 0.00 1.61 2.12 -0.96 -2.91 118.70 122.19 2ksq s GLU 164 Ca 0.00 2.07 0.00 0.00 0.36 0.00 0.00 54.97 57.40 2ksq s GLU 164 Cb 0.00 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.26 2ksq s GLU 164 CO 0.00 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.04 2ksq n GLY 165 N 1.21 2.91 0.31 -1.50 0.00 -1.26 -2.89 105.19 103.98 2ksq n GLY 165 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 0.99 -0.46 0.99 4.07 -1.86 -2.84 115.31 116.20 2ksq h LEU 166 Ca 0.00 -0.23 -0.05 0.00 0.08 0.00 0.00 57.88 57.68 2ksq h LEU 166 Cb 0.00 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.46 2ksq h LEU 166 CO 0.00 0.98 0.09 1.88 -1.08 0.00 0.00 178.44 180.32 2ksq h TYR 167 N 0.97 0.78 -0.87 1.13 -1.99 -1.89 -2.90 116.97 112.21 2ksq h TYR 167 Ca 0.19 -0.10 0.05 0.00 2.00 0.00 0.00 58.73 60.88 2ksq h TYR 167 Cb 0.42 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 38.88 2ksq h TYR 167 CO 0.03 0.73 0.57 0.93 -0.00 0.00 0.00 178.16 180.42 2ksq h GLU 168 N 0.61 1.00 -0.50 4.88 3.07 -1.92 -2.53 114.58 119.19 2ksq h GLU 168 Ca 0.14 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 2ksq h GLU 168 Cb 0.35 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 2ksq h GLU 168 CO 0.00 0.66 0.20 0.78 -1.40 0.00 0.00 179.01 179.25 2ksq h GLY 169 N 1.03 0.80 2.00 -3.84 0.00 -1.30 -2.25 103.07 99.51 2ksq h GLY 169 Ca 0.36 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 2ksq h GLY 169 CO -0.12 0.41 -0.20 -2.00 0.00 0.00 0.00 176.54 174.63 2ksq h LEU 170 N 0.67 0.00 -0.15 3.11 5.85 -1.36 -2.78 115.31 120.64 2ksq h LEU 170 Ca 0.17 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.65 2ksq h LEU 170 Cb 0.20 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.24 2ksq h LEU 170 CO -0.01 0.20 -0.92 -0.08 -0.34 0.00 0.00 178.44 177.28 2ksq h GLU 171 N 0.00 0.54 -0.53 1.25 4.81 -1.06 -2.96 114.58 116.63 2ksq h GLU 171 Ca -0.00 -0.54 -0.07 0.00 -0.13 0.00 0.00 59.36 58.62 2ksq h GLU 171 Cb 0.47 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2ksq h GLU 171 CO 0.03 1.17 0.06 -1.49 -0.73 0.00 0.00 179.01 178.05 2ksq h TRP 172 N 0.32 0.96 0.37 0.92 -0.00 -1.15 -2.66 115.95 114.71 2ksq h TRP 172 Ca -0.08 -0.14 -0.02 0.00 -0.00 0.00 0.00 58.89 58.64 2ksq h TRP 172 Cb 1.56 -0.26 0.00 0.00 -0.00 0.00 0.00 29.16 30.46 2ksq h TRP 172 CO 0.07 0.86 -0.18 1.25 -0.00 0.00 0.00 178.44 180.45 2ksq h LEU 173 N 0.77 -0.42 -1.83 -4.49 5.85 -1.57 -2.63 115.31 110.99 2ksq h LEU 173 Ca 0.16 -0.05 0.18 0.00 0.84 0.00 0.00 57.88 59.00 2ksq h LEU 173 Cb 0.44 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 2ksq h LEU 173 CO 0.02 -0.21 0.49 0.77 -0.34 0.00 0.00 178.44 179.17 2ksq h SER 174 N -0.61 0.15 0.47 1.25 4.64 -1.51 0.19 113.55 118.13 2ksq h SER 174 Ca -0.05 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.12 2ksq h SER 174 Cb 0.45 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2ksq h SER 174 CO 0.08 0.07 -0.70 0.78 -0.87 0.00 0.00 176.83 176.20 2ksq h ASN 175 N 0.16 0.23 0.44 4.97 2.35 -1.22 -2.03 115.58 120.48 2ksq h ASN 175 Ca 0.34 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 2ksq h ASN 175 Cb 1.13 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 2ksq h ASN 175 CO -0.05 0.86 -0.32 0.00 -1.65 0.00 0.00 177.43 176.26 2ksq n LEU 177 N -3.93 1.70 -0.30 0.00 4.32 -1.15 -4.56 117.00 113.08 2ksq n LEU 177 Ca -0.02 0.37 -0.05 0.00 -0.02 0.00 0.00 56.01 56.30 2ksq n LEU 177 Cb 0.39 -0.75 0.07 0.00 -1.62 0.00 0.00 43.42 41.51 2ksq n LEU 177 CO 0.37 -0.34 1.11 0.50 -1.22 0.00 0.00 177.39 177.80 2ksq h LYS 178 N -0.89 1.15 -6.47 3.23 1.63 -1.52 -3.47 116.57 110.24 2ksq h LYS 178 Ca 0.00 -0.16 -0.34 0.00 -0.85 0.00 0.00 60.65 59.29 2ksq h LYS 178 Cb 0.78 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 32.19 2ksq h LYS 178 CO 0.00 0.88 -0.70 -1.71 -3.45 0.00 0.00 179.45 174.47 2ksq n ASN 179 N -4.36 -2.94 -4.74 4.20 2.85 -0.08 -4.93 115.26 105.26 2ksq n ASN 179 Ca 0.08 -0.71 -0.27 0.00 -0.11 0.00 0.00 54.58 53.57 2ksq n ASN 179 Cb 0.13 -1.02 0.10 0.00 1.24 0.00 0.00 39.78 40.22 2ksq n ASN 179 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2ksq s SER 180 N -3.09 4.39 0.00 1.20 1.04 -1.26 -5.09 113.70 110.89 2ksq s SER 180 Ca 0.10 0.36 0.25 0.00 0.48 0.00 0.00 55.95 57.14 2ksq s SER 180 Cb -0.06 -0.84 0.36 0.00 0.10 0.00 0.00 66.02 65.58 2ksq s SER 180 CO 0.60 -1.89 1.35 0.41 0.98 0.00 0.00 173.24 174.69