#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 0.22 -0.32 0.99 8.10 -2.05 -2.63 115.31 119.62 2ksq h LEU 3 Ca 0.00 -0.47 -0.07 0.00 0.11 0.00 0.00 57.88 57.45 2ksq h LEU 3 Cb 0.00 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.15 2ksq h LEU 3 CO 0.00 0.65 -0.06 0.15 -4.11 0.00 0.00 178.44 175.08 2ksq h PHE 4 N -0.20 0.68 0.42 0.17 3.04 -2.06 -2.89 116.94 116.10 2ksq h PHE 4 Ca 0.02 -0.14 -0.01 0.00 3.98 0.00 0.00 57.97 61.82 2ksq h PHE 4 Cb 0.58 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 2ksq h PHE 4 CO 0.09 0.77 -0.43 0.00 -2.02 0.00 0.00 178.31 176.71 2ksq h ALA 5 N 0.81 -0.95 -0.48 2.41 0.00 -2.00 -0.88 119.26 118.17 2ksq h ALA 5 Ca 0.08 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.98 2ksq h ALA 5 Cb 0.54 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2ksq h ALA 5 CO 0.03 -1.07 0.42 0.77 0.00 0.00 0.00 179.25 179.40 2ksq h SER 6 N -0.87 0.00 0.03 0.00 0.02 -1.52 -1.28 113.55 109.93 2ksq h SER 6 Ca -0.04 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 63.31 2ksq h SER 6 CO -0.07 0.00 -0.01 0.50 -1.14 0.00 0.00 176.83 176.10 2ksq h LYS 7 N 0.00 -0.04 -0.51 3.45 1.63 -1.11 -2.93 116.57 117.06 2ksq h LYS 7 Ca 0.23 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 60.18 2ksq h LYS 7 Cb 1.07 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.69 2ksq h LYS 7 CO -0.00 0.64 0.39 -0.07 -3.45 0.00 0.00 179.45 176.96 2ksq h LEU 8 N -0.78 0.00 -0.36 5.20 4.07 -0.06 0.24 115.31 123.62 2ksq h LEU 8 Ca -0.00 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.78 2ksq h LEU 8 Cb 0.69 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 2ksq h LEU 8 CO 0.01 0.00 -0.83 0.15 -1.08 0.00 0.00 178.44 176.69 2ksq h PHE 9 N 0.00 0.06 -0.85 1.13 3.57 -1.39 -3.25 116.94 116.22 2ksq h PHE 9 Ca 0.24 -0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.86 2ksq h PHE 9 Cb 1.03 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.70 2ksq h PHE 9 CO 0.00 0.85 0.56 0.77 -2.23 0.00 0.00 178.31 178.25 2ksq h SER 10 N 0.02 0.55 -0.17 0.41 0.02 -0.32 0.81 113.55 114.87 2ksq h SER 10 Ca -0.02 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 2ksq h SER 10 Cb 1.45 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.91 2ksq h SER 10 CO 0.11 0.27 0.18 0.78 -1.14 0.00 0.00 176.83 177.03 2ksq h ASN 11 N 0.57 0.00 0.00 3.07 2.35 -1.59 -0.76 115.58 119.22 2ksq h ASN 11 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 2ksq h ASN 11 Cb 0.82 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.19 2ksq h ASN 11 CO -0.18 0.00 0.00 -0.11 -1.65 0.00 0.00 177.43 175.49 2ksq n LEU 12 N -3.86 0.00 0.25 1.61 7.94 0.28 -3.48 117.00 119.74 2ksq n LEU 12 Ca 0.01 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.07 2ksq n LEU 12 Cb 0.30 0.00 0.61 0.00 0.53 0.00 0.00 43.42 44.86 2ksq n LEU 12 CO 0.28 0.00 0.96 -0.26 -1.11 0.00 0.00 177.39 177.26 2ksq h PHE 13 N 0.00 0.00 -0.14 1.96 -1.00 -1.29 -3.09 116.94 113.37 2ksq h PHE 13 Ca 0.00 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.59 2ksq h PHE 13 Cb 0.00 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.57 2ksq h PHE 13 CO 0.00 0.00 -0.64 0.78 -1.61 0.00 0.00 178.31 176.84 2ksq h GLY 14 N 2.31 0.75 -4.44 -1.45 0.00 -1.82 -3.50 103.07 94.92 2ksq h GLY 14 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 47.33 46.29 2ksq h GLY 14 CO 0.00 0.93 -0.93 -2.01 0.00 0.00 0.00 176.54 174.53 2ksq n ASN 15 N -4.08 -9.03 -4.50 0.19 4.05 -1.17 -4.68 115.26 96.05 2ksq n ASN 15 Ca -0.08 1.61 -0.44 0.00 0.45 0.00 0.00 54.58 56.13 2ksq n ASN 15 Cb 0.67 -4.97 -0.07 0.00 1.23 0.00 0.00 39.78 36.64 2ksq n ASN 15 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 2ksq n LYS 16 N 1.77 0.88 -3.71 1.20 3.00 -1.26 -4.90 118.16 115.13 2ksq n LYS 16 Ca 0.00 0.15 -0.16 0.00 -0.00 0.00 0.00 58.31 58.30 2ksq n LYS 16 Cb 0.00 -2.60 -0.15 0.00 0.00 0.00 0.00 35.03 32.27 2ksq n LYS 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2ksq s GLU 17 N 7.47 0.04 0.00 1.64 2.56 -1.26 -0.16 118.70 128.99 2ksq s GLU 17 Ca 1.11 0.42 0.01 0.00 0.00 0.00 0.00 54.97 56.51 2ksq s GLU 17 Cb -0.70 -0.26 -0.04 0.00 2.00 0.00 0.00 34.13 35.13 2ksq s GLU 17 CO 0.41 -0.23 0.05 1.41 -0.56 0.00 0.00 175.26 176.33 2ksq s MET 18 N 1.67 2.93 -0.24 4.30 1.75 -0.97 -4.88 119.30 123.86 2ksq s MET 18 Ca -0.03 -0.55 -0.10 0.00 -1.25 0.00 0.00 55.69 53.75 2ksq s MET 18 Cb -0.12 -2.77 -0.05 0.00 2.84 0.00 0.00 34.83 34.73 2ksq s MET 18 CO -0.05 0.63 0.16 1.03 -0.65 0.00 0.00 175.02 176.14 2ksq s ARG 19 N -1.68 4.05 0.14 4.11 3.00 -1.26 -0.89 118.95 126.41 2ksq s ARG 19 Ca 0.22 -0.28 0.08 0.00 0.00 0.00 0.00 55.73 55.75 2ksq s ARG 19 Cb -0.12 -3.55 -0.04 0.00 0.00 0.00 0.00 34.95 31.25 2ksq s ARG 19 CO 0.13 0.03 -0.20 0.42 0.00 0.00 0.00 175.30 175.68 2ksq s ILE 20 N 1.15 1.80 0.00 1.52 -1.09 0.24 0.82 121.20 125.65 2ksq s ILE 20 Ca 0.07 -1.76 0.03 0.00 -2.23 0.00 0.00 60.65 56.76 2ksq s ILE 20 Cb -0.14 -1.73 -0.01 0.00 -1.58 0.00 0.00 42.46 39.00 2ksq s ILE 20 CO 0.05 -0.19 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.26 2ksq s LEU 21 N -2.33 2.05 -0.09 2.97 2.96 -0.32 -1.90 118.68 122.03 2ksq s LEU 21 Ca 0.12 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2ksq s LEU 21 Cb -0.08 -0.43 0.01 0.00 0.50 0.00 0.00 46.19 46.20 2ksq s LEU 21 CO 0.06 0.07 -0.13 -0.04 -1.32 0.00 0.00 176.35 174.99 2ksq s MET 22 N -0.38 1.95 0.29 1.98 -1.94 0.14 0.93 119.30 122.27 2ksq s MET 22 Ca 0.02 -0.47 -0.15 0.00 -1.71 0.00 0.00 55.69 53.37 2ksq s MET 22 Cb -0.04 -1.68 0.02 0.00 2.01 0.00 0.00 34.83 35.14 2ksq s MET 22 CO -0.00 -0.05 0.62 0.14 -0.01 0.00 0.00 175.02 175.72 2ksq s VAL 23 N 0.94 0.00 -1.83 -6.03 -7.23 -1.12 -2.64 120.40 102.49 2ksq s VAL 23 Ca -0.08 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 2ksq s VAL 23 Cb -0.15 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.51 2ksq s VAL 23 CO -0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2ksq n GLY 24 N -0.45 0.01 3.81 2.32 0.00 -1.26 -2.58 105.19 107.04 2ksq n GLY 24 Ca -0.03 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 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 2.86 0.00 0.99 1.43 -1.26 -4.56 118.68 118.14 2ksq s LEU 25 Ca 0.00 1.50 0.14 0.00 -1.03 0.00 0.00 54.13 54.74 2ksq s LEU 25 Cb 0.00 -4.23 0.79 0.00 0.03 0.00 0.00 46.19 42.79 2ksq s LEU 25 CO 0.00 -1.76 1.52 -0.67 0.23 0.00 0.00 176.35 175.67 2ksq n ASP 26 N -3.32 0.25 0.00 2.29 2.03 -1.26 -3.54 116.55 113.00 2ksq n ASP 26 Ca 0.07 -1.60 0.00 0.00 0.52 0.00 0.00 54.79 53.78 2ksq n ASP 26 Cb 0.55 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 2ksq n ASP 26 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ksq n GLY 27 N 0.77 -0.35 0.12 0.27 0.00 -1.26 -4.86 105.19 99.88 2ksq n GLY 27 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.83 -3.46 119.26 118.41 2ksq h ALA 28 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2ksq h ALA 28 Cb 0.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2ksq h ALA 28 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.33 2ksq n GLY 29 N 0.32 0.81 0.26 0.00 0.00 -1.26 -4.66 105.19 100.66 2ksq n GLY 29 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 0.88 -0.43 1.61 2.10 -1.92 -2.66 116.57 116.17 2ksq h LYS 30 Ca 0.00 -0.45 -0.10 0.00 -2.00 0.00 0.00 60.65 58.11 2ksq h LYS 30 Cb 0.00 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.32 2ksq h LYS 30 CO 0.00 1.09 -0.13 1.79 -2.00 0.00 0.00 179.45 180.21 2ksq h THR 31 N 0.73 1.26 -0.10 0.07 1.35 -1.94 -2.85 112.91 111.43 2ksq h THR 31 Ca 0.07 -1.19 -0.10 0.00 -0.55 0.00 0.00 66.41 64.63 2ksq h THR 31 Cb 0.94 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 2ksq h THR 31 CO 0.09 0.41 -0.38 0.74 -0.25 0.00 0.00 175.52 176.12 2ksq h THR 32 N 0.70 1.30 0.11 6.82 2.02 -1.92 -2.77 112.91 119.16 2ksq h THR 32 Ca 0.12 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.85 2ksq h THR 32 Cb 0.61 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 2ksq h THR 32 CO 0.04 0.43 -0.05 0.58 0.37 0.00 0.00 175.52 176.89 2ksq h VAL 33 N 0.19 1.08 -0.29 3.16 2.07 -1.24 -1.04 116.25 120.17 2ksq h VAL 33 Ca 0.02 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 2ksq h VAL 33 Cb 0.76 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2ksq h VAL 33 CO 0.06 0.18 -0.04 0.25 0.02 0.00 0.00 177.57 178.04 2ksq h LEU 34 N -0.50 0.42 0.01 2.57 5.85 -1.56 -0.35 115.31 121.74 2ksq h LEU 34 Ca -0.01 -0.08 -0.26 0.00 0.84 0.00 0.00 57.88 58.36 2ksq h LEU 34 Cb 0.41 -0.11 0.02 0.00 0.37 0.00 0.00 40.66 41.35 2ksq h LEU 34 CO 0.02 0.52 -1.02 1.88 -0.34 0.00 0.00 178.44 179.50 2ksq h TYR 35 N 0.43 1.01 0.00 1.25 0.05 -1.48 -2.49 116.97 115.74 2ksq h TYR 35 Ca 0.09 -0.55 -0.09 0.00 0.05 0.00 0.00 58.73 58.23 2ksq h TYR 35 Cb 0.34 -0.11 0.01 0.00 1.01 0.00 0.00 36.73 37.98 2ksq h TYR 35 CO 0.01 1.39 -0.34 1.57 -1.05 0.00 0.00 178.16 179.74 2ksq h LYS 36 N 0.34 0.22 0.00 4.88 2.10 -1.06 -0.54 116.57 122.51 2ksq h LYS 36 Ca -0.13 -0.25 -0.07 0.00 -2.00 0.00 0.00 60.65 58.21 2ksq h LYS 36 Cb 1.68 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 33.07 2ksq h LYS 36 CO 0.20 0.98 -0.32 1.25 -2.00 0.00 0.00 179.45 179.55 2ksq h LEU 37 N -0.43 0.00 0.01 7.07 6.46 -1.21 1.00 115.31 128.21 2ksq h LEU 37 Ca -0.04 0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 57.45 2ksq h LEU 37 Cb 1.10 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.99 2ksq h LEU 37 CO 0.07 0.32 -1.46 0.50 -0.62 0.00 0.00 178.44 177.25 2ksq h LYS 38 N 0.00 0.02 0.00 1.25 3.11 -1.50 -3.36 116.57 116.08 2ksq h LYS 38 Ca -0.00 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2ksq h LYS 38 Cb 0.62 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 2ksq h LYS 38 CO 0.04 0.71 -1.09 1.28 -2.81 0.00 0.00 179.45 177.59 2ksq n LEU 39 N -3.18 0.72 0.00 5.20 4.77 -0.21 -4.98 117.00 119.32 2ksq n LEU 39 Ca -0.11 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 2ksq n LEU 39 Cb 1.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 2ksq n LEU 39 CO 0.46 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2ksq n GLY 40 N 1.44 1.43 3.12 -0.72 0.00 0.34 -4.99 105.19 105.81 2ksq n GLY 40 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.08 0.76 -0.12 1.61 0.41 -1.18 -4.99 118.70 115.11 2ksq s GLU 41 Ca 0.00 -0.76 -0.30 0.00 -0.41 0.00 0.00 54.97 53.50 2ksq s GLU 41 Cb 0.00 -0.71 -0.01 0.00 -1.78 0.00 0.00 34.13 31.63 2ksq s GLU 41 CO 0.00 0.17 1.04 0.08 -0.49 0.00 0.00 175.26 176.05 2ksq s VAL 42 N -1.03 4.70 0.38 2.63 1.01 -1.26 -4.11 120.40 122.72 2ksq s VAL 42 Ca -0.02 1.99 0.05 0.00 0.00 0.00 0.00 61.98 64.00 2ksq s VAL 42 Cb -0.08 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 2ksq s VAL 42 CO 0.01 -0.02 0.03 0.27 0.00 0.00 0.00 175.10 175.39 2ksq s ILE 43 N 2.21 1.61 -0.19 2.22 -5.25 -1.26 -5.08 121.20 115.45 2ksq s ILE 43 Ca 0.49 -2.00 -0.28 0.00 -0.99 0.00 0.00 60.65 57.86 2ksq s ILE 43 Cb -0.19 -2.88 -0.00 0.00 2.95 0.00 0.00 42.46 42.34 2ksq s ILE 43 CO 0.17 0.00 0.99 0.42 -1.79 0.00 0.00 174.94 174.72 2ksq s THR 44 N -2.97 4.75 0.38 8.37 -4.23 -1.26 -4.99 115.64 115.68 2ksq s THR 44 Ca 0.35 1.94 0.07 0.00 -1.18 0.00 0.00 61.69 62.87 2ksq s THR 44 Cb 0.09 -4.27 -0.00 0.00 1.34 0.00 0.00 72.50 69.66 2ksq s THR 44 CO 0.17 -0.09 0.48 0.42 -0.54 0.00 0.00 174.62 175.05 2ksq s THR 45 N 2.70 3.37 0.19 3.99 -4.23 -1.26 -5.09 115.64 115.31 2ksq s THR 45 Ca 0.44 -1.08 -0.13 0.00 -1.18 0.00 0.00 61.69 59.74 2ksq s THR 45 Cb -0.16 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2ksq s THR 45 CO 0.10 -0.07 0.40 0.27 -0.54 0.00 0.00 174.62 174.79 2ksq s ILE 46 N -2.30 0.04 -0.24 2.99 -4.36 -1.26 -5.10 121.20 110.97 2ksq s ILE 46 Ca 0.49 -1.20 -0.30 0.00 -0.26 0.00 0.00 60.65 59.38 2ksq s ILE 46 Cb -0.08 -1.84 -0.07 0.00 1.25 0.00 0.00 42.46 41.71 2ksq s ILE 46 CO 0.31 -0.17 2.19 -2.65 0.24 0.00 0.00 174.94 174.86 2ksq n PRO 47 N -0.29 1.76 -3.05 0.37 -0.02 -1.26 -4.93 135.00 127.58 2ksq n PRO 47 Ca -0.07 0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 61.50 2ksq n PRO 47 Cb 0.63 -2.99 -0.05 0.00 -0.02 0.00 0.00 33.50 31.06 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 7.74 4.96 -0.16 3.45 2.01 -1.26 -4.99 115.64 127.39 2ksq s THR 48 Ca 1.03 1.30 -0.17 0.00 0.31 0.00 0.00 61.69 64.16 2ksq s THR 48 Cb -0.50 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 2ksq s THR 48 CO 0.40 0.05 0.43 -0.51 -0.69 0.00 0.00 174.62 174.30 2ksq s ILE 49 N 2.21 5.20 0.00 1.82 1.10 -1.26 -3.19 121.20 127.08 2ksq s ILE 49 Ca 0.31 0.81 0.00 0.00 -0.51 0.00 0.00 60.65 61.26 2ksq s ILE 49 Cb -0.16 -3.76 0.00 0.00 0.15 0.00 0.00 42.46 38.69 2ksq s ILE 49 CO 0.10 0.29 0.00 0.61 -2.11 0.00 0.00 174.94 173.83 2ksq n GLY 50 N 3.57 0.67 3.28 1.50 0.00 -1.26 -4.91 105.19 108.04 2ksq n GLY 50 Ca -0.08 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 2ksq n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ksq s PHE 51 N 0.00 1.37 -0.19 1.61 -0.71 -1.26 -2.46 117.98 116.34 2ksq s PHE 51 Ca 0.00 -0.83 -0.04 0.00 -1.04 0.00 0.00 56.93 55.02 2ksq s PHE 51 Cb 0.00 -0.74 0.09 0.00 -1.21 0.00 0.00 43.02 41.17 2ksq s PHE 51 CO 0.00 0.02 0.28 1.21 -1.34 0.00 0.00 175.22 175.39 2ksq s ASN 52 N -3.22 0.78 0.26 1.98 2.47 -0.72 -4.94 114.94 111.55 2ksq s ASN 52 Ca 0.21 0.14 0.03 0.00 0.42 0.00 0.00 52.86 53.66 2ksq s ASN 52 Cb 0.04 0.67 -0.03 0.00 -1.45 0.00 0.00 41.25 40.48 2ksq s ASN 52 CO 0.04 -0.29 0.42 0.54 -3.72 0.00 0.00 177.10 174.08 2ksq s VAL 53 N 2.41 5.21 -0.21 -5.21 0.11 -1.26 0.24 120.40 121.69 2ksq s VAL 53 Ca 0.07 -0.73 -0.16 0.00 -2.93 0.00 0.00 61.98 58.22 2ksq s VAL 53 Cb -0.15 -3.84 0.06 0.00 -1.53 0.00 0.00 36.38 30.93 2ksq s VAL 53 CO -0.12 -0.37 0.54 -1.61 -3.33 0.00 0.00 175.10 170.21 2ksq s GLU 54 N -3.96 0.59 -0.44 1.54 0.41 -0.63 -4.96 118.70 111.24 2ksq s GLU 54 Ca 0.36 0.85 -0.21 0.00 -0.41 0.00 0.00 54.97 55.57 2ksq s GLU 54 Cb -0.10 0.19 0.02 0.00 -1.78 0.00 0.00 34.13 32.47 2ksq s GLU 54 CO 0.31 -0.11 0.65 0.00 -0.49 0.00 0.00 175.26 175.62 2ksq s VAL 56 N 2.85 3.27 -0.23 0.00 1.01 0.15 -4.98 120.40 122.46 2ksq s VAL 56 Ca 0.23 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 2ksq s VAL 56 Cb -0.14 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 2ksq s VAL 56 CO 0.19 0.48 0.15 -1.10 0.00 0.00 0.00 175.10 174.82 2ksq s GLN 57 N 0.81 4.06 -0.16 2.72 -1.52 -1.26 0.13 119.66 124.43 2ksq s GLN 57 Ca -0.03 -0.28 -0.08 0.00 -1.95 0.00 0.00 55.36 53.03 2ksq s GLN 57 Cb -0.15 -3.50 0.06 0.00 -0.22 0.00 0.00 33.01 29.20 2ksq s GLN 57 CO 0.01 0.08 0.37 -0.47 -0.25 0.00 0.00 175.29 175.03 2ksq s TYR 58 N 0.99 -0.58 -1.43 0.91 5.04 0.16 -4.92 117.35 117.52 2ksq s TYR 58 Ca 0.07 1.22 -0.09 0.00 -2.44 0.00 0.00 57.07 55.84 2ksq s TYR 58 Cb -0.13 0.21 0.05 0.00 0.35 0.00 0.00 41.96 42.43 2ksq s TYR 58 CO 0.04 -0.36 0.94 0.00 -1.34 0.00 0.00 175.55 174.84 2ksq n ASN 60 N -2.94 0.00 -4.90 0.00 2.85 -1.26 -5.00 115.26 104.01 2ksq n ASN 60 Ca -0.07 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.13 2ksq n ASN 60 Cb 0.58 -0.41 -0.04 0.00 1.24 0.00 0.00 39.78 41.15 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 -3.22 5.12 -0.79 -1.44 1.01 0.25 -4.54 121.20 117.60 2ksq s ILE 61 Ca 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 2ksq s ILE 61 Cb 0.00 -3.61 0.20 0.00 0.01 0.00 0.00 42.46 39.06 2ksq s ILE 61 CO 0.00 -0.06 0.64 -0.44 0.00 0.00 0.00 174.94 175.09 2ksq s SER 62 N -3.08 5.65 -0.07 3.58 0.01 0.78 0.36 113.70 120.93 2ksq s SER 62 Ca 0.34 -3.43 -0.30 0.00 1.31 0.00 0.00 55.95 53.87 2ksq s SER 62 Cb -0.11 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.21 2ksq s SER 62 CO 0.27 -0.24 1.34 -0.36 0.41 0.00 0.00 173.24 174.66 2ksq s PHE 63 N -0.91 2.83 -0.30 2.43 0.40 0.35 -2.30 117.98 120.47 2ksq s PHE 63 Ca 0.24 0.89 -0.06 0.00 -0.60 0.00 0.00 56.93 57.40 2ksq s PHE 63 Cb -0.12 -3.59 0.02 0.00 0.51 0.00 0.00 43.02 39.85 2ksq s PHE 63 CO -0.10 -2.12 0.06 0.99 0.70 0.00 0.00 175.22 174.75 2ksq s THR 64 N 2.86 3.69 -0.18 0.64 2.01 -0.07 0.32 115.64 124.90 2ksq s THR 64 Ca 0.60 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.63 2ksq s THR 64 Cb -0.27 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 2ksq s THR 64 CO 0.22 -0.01 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.41 2ksq s VAL 65 N 1.42 3.64 -0.19 3.82 1.01 -0.80 0.83 120.40 130.14 2ksq s VAL 65 Ca 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 2ksq s VAL 65 Cb -0.18 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2ksq s VAL 65 CO 0.01 0.46 0.03 0.26 0.00 0.00 0.00 175.10 175.86 2ksq s TRP 66 N 0.82 3.12 -0.25 5.22 0.52 -0.80 -1.61 118.94 125.97 2ksq s TRP 66 Ca -0.01 -0.20 0.01 0.00 0.02 0.00 0.00 56.10 55.91 2ksq s TRP 66 Cb -0.15 -2.08 0.04 0.00 -1.15 0.00 0.00 33.47 30.14 2ksq s TRP 66 CO 0.02 -0.06 -0.10 -0.51 0.02 0.00 0.00 176.95 176.32 2ksq s ASP 67 N 0.72 4.26 0.06 2.95 1.11 0.14 0.25 116.67 126.16 2ksq s ASP 67 Ca 0.02 -1.12 -0.14 0.00 0.18 0.00 0.00 52.55 51.48 2ksq s ASP 67 Cb -0.14 -1.59 -0.06 0.00 1.07 0.00 0.00 42.92 42.20 2ksq s ASP 67 CO 0.02 -0.15 0.46 -0.69 1.18 0.00 0.00 175.17 175.99 2ksq s VAL 68 N 1.21 4.97 0.09 -1.27 1.01 -1.08 -1.75 120.40 123.58 2ksq s VAL 68 Ca -0.04 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.73 2ksq s VAL 68 Cb -0.18 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2ksq s VAL 68 CO -0.06 0.42 0.01 0.61 0.00 0.00 0.00 175.10 176.09 2ksq n GLY 69 N 1.34 3.91 1.39 4.51 0.00 -1.03 -4.70 105.19 110.61 2ksq n GLY 69 Ca -0.10 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.69 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 3.98 2.83 7.00 -0.02 0.00 -1.20 -4.46 105.19 113.33 2ksq n GLY 70 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2ksq n GLY 70 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ksq n GLN 71 N -0.02 0.00 -0.04 1.61 7.27 -1.26 -3.74 117.38 121.20 2ksq n GLN 71 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.99 2ksq n GLN 71 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 2ksq n GLN 71 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2ksq h ASP 72 N 0.00 -0.54 -1.06 1.69 3.58 -1.92 1.16 116.42 119.33 2ksq h ASP 72 Ca 0.00 0.11 0.28 0.00 0.42 0.00 0.00 57.03 57.84 2ksq h ASP 72 Cb 0.00 0.27 -0.10 0.00 1.72 0.00 0.00 39.33 41.23 2ksq h ASP 72 CO 0.00 -0.21 0.68 -0.09 -2.88 0.00 0.00 179.24 176.74 2ksq h ARG 73 N -0.16 0.36 0.00 0.28 2.43 -1.93 -2.15 114.38 113.20 2ksq h ARG 73 Ca 0.13 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2ksq h ARG 73 Cb 0.36 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2ksq h ARG 73 CO -0.33 0.24 0.00 -0.89 -1.51 0.00 0.00 179.97 177.48 2ksq n ILE 74 N -4.65 0.74 0.02 1.20 5.41 -0.92 -4.69 119.36 116.46 2ksq n ILE 74 Ca 0.27 -0.85 0.09 0.00 1.00 0.00 0.00 62.75 63.25 2ksq n ILE 74 Cb 0.92 0.64 0.51 0.00 -0.71 0.00 0.00 39.64 41.01 2ksq n ILE 74 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2ksq h ARG 75 N 0.00 0.34 -0.68 0.38 1.12 0.21 -1.83 114.38 113.92 2ksq h ARG 75 Ca 0.00 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 2ksq h ARG 75 Cb 0.41 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.26 2ksq h ARG 75 CO 0.00 0.23 0.38 0.77 -3.11 0.00 0.00 179.97 178.24 2ksq h SER 76 N 0.35 0.84 -0.06 -3.80 0.02 -1.83 -2.14 113.55 106.94 2ksq h SER 76 Ca 0.18 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2ksq h SER 76 Cb 0.26 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2ksq h SER 76 CO -0.04 0.69 0.20 -0.07 -1.14 0.00 0.00 176.83 176.47 2ksq h LEU 77 N 0.93 0.00 -2.02 5.07 3.38 -1.67 -2.01 115.31 118.99 2ksq h LEU 77 Ca 0.24 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.34 2ksq h LEU 77 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2ksq h LEU 77 CO -0.04 0.00 0.40 -0.50 0.09 0.00 0.00 178.44 178.39 2ksq h TRP 78 N 0.00 0.00 -0.67 1.13 6.55 -1.44 0.26 115.95 121.77 2ksq h TRP 78 Ca 0.03 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 59.67 2ksq h TRP 78 Cb 0.43 0.00 -0.12 0.00 -0.86 0.00 0.00 29.16 28.61 2ksq h TRP 78 CO 0.00 0.00 0.25 -2.13 -1.05 0.00 0.00 178.44 175.51 2ksq n ARG 79 N -3.92 3.43 -0.88 0.49 0.00 -0.76 -4.15 116.66 110.88 2ksq n ARG 79 Ca 0.08 -2.73 -0.04 0.00 -0.00 0.00 0.00 57.85 55.15 2ksq n ARG 79 Cb 0.59 -2.12 -0.04 0.00 0.00 0.00 0.00 32.46 30.88 2ksq n ARG 79 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2ksq n HIS 80 N -0.11 0.00 0.05 -0.14 8.25 0.87 -4.93 115.22 119.21 2ksq n HIS 80 Ca 0.37 -0.35 0.03 0.00 -0.26 0.00 0.00 57.72 57.51 2ksq n HIS 80 Cb 1.29 0.38 -0.05 0.00 1.12 0.00 0.00 29.99 32.73 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 0.03 0.00 0.07 4.41 4.01 -0.95 -4.99 117.16 119.73 2ksq n TYR 81 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2ksq n TYR 81 Cb 0.67 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 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 -1.63 -2.66 -1.93 -0.72 9.36 -1.26 -5.03 117.16 113.30 2ksq n TYR 82 Ca -0.01 0.42 -0.11 0.00 3.32 0.00 0.00 57.90 61.52 2ksq n TYR 82 Cb 0.16 1.36 -0.02 0.00 -0.63 0.00 0.00 39.34 40.21 2ksq n TYR 82 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2ksq n ASN 84 N -0.01 0.03 -4.71 0.00 2.85 -1.26 -5.10 115.26 107.05 2ksq n ASN 84 Ca -0.13 -1.79 -0.42 0.00 -0.11 0.00 0.00 54.58 52.13 2ksq n ASN 84 Cb 0.52 -0.06 -0.03 0.00 1.24 0.00 0.00 39.78 41.46 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 0.00 4.50 0.02 -0.44 -4.23 -1.26 -4.71 115.64 109.52 2ksq s THR 85 Ca 0.10 1.80 0.04 0.00 -1.18 0.00 0.00 61.69 62.44 2ksq s THR 85 Cb 0.11 -4.15 -0.24 0.00 1.34 0.00 0.00 72.50 69.56 2ksq s THR 85 CO -0.05 0.14 0.92 -0.33 -0.54 0.00 0.00 174.62 174.76 2ksq h GLU 86 N 6.79 0.11 -2.71 3.99 4.39 0.07 -3.41 114.58 123.82 2ksq h GLU 86 Ca -0.41 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 58.97 2ksq h GLU 86 Cb 1.22 0.07 -0.27 0.00 -0.10 0.00 0.00 28.75 29.67 2ksq h GLU 86 CO 0.78 0.92 -0.32 0.20 -1.16 0.00 0.00 179.01 179.43 2ksq s GLY 87 N -4.93 -0.30 0.05 -3.84 0.00 -0.36 -3.03 107.32 94.91 2ksq s GLY 87 Ca -0.05 1.41 0.02 0.00 0.00 0.00 0.00 44.72 46.10 2ksq s GLY 87 CO 0.83 1.54 0.07 0.14 0.00 0.00 0.00 173.10 175.69 2ksq s VAL 88 N 1.24 4.55 -0.23 1.40 1.01 -0.38 -1.17 120.40 126.82 2ksq s VAL 88 Ca -0.08 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2ksq s VAL 88 Cb -0.08 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.21 2ksq s VAL 88 CO -0.11 0.20 -0.08 -0.63 0.00 0.00 0.00 175.10 174.49 2ksq s ILE 89 N -1.31 1.73 -0.12 2.22 1.01 0.27 0.12 121.20 125.11 2ksq s ILE 89 Ca 0.27 -1.27 -0.21 0.00 0.00 0.00 0.00 60.65 59.44 2ksq s ILE 89 Cb -0.12 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 2ksq s ILE 89 CO 0.19 -0.01 0.59 -0.36 0.00 0.00 0.00 174.94 175.36 2ksq s PHE 90 N 1.32 3.50 -0.26 3.97 0.40 0.31 -2.81 117.98 124.41 2ksq s PHE 90 Ca -0.05 1.02 -0.11 0.00 -0.60 0.00 0.00 56.93 57.18 2ksq s PHE 90 Cb -0.18 -2.71 -0.05 0.00 0.51 0.00 0.00 43.02 40.59 2ksq s PHE 90 CO -0.06 0.04 0.21 0.54 0.70 0.00 0.00 175.22 176.65 2ksq s VAL 91 N 1.04 5.31 -0.11 -0.44 0.11 -1.06 -1.83 120.40 123.42 2ksq s VAL 91 Ca 0.31 0.23 0.01 0.00 -2.93 0.00 0.00 61.98 59.60 2ksq s VAL 91 Cb -0.16 -3.54 0.02 0.00 -1.53 0.00 0.00 36.38 31.16 2ksq s VAL 91 CO 0.13 0.27 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.35 2ksq s VAL 92 N 1.55 1.35 0.15 2.04 1.01 -1.15 -4.15 120.40 121.20 2ksq s VAL 92 Ca 0.08 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.21 2ksq s VAL 92 Cb -0.15 -1.26 -0.11 0.00 0.00 0.00 0.00 36.38 34.86 2ksq s VAL 92 CO 0.09 0.41 1.73 1.51 0.00 0.00 0.00 175.10 178.84 2ksq s ASP 93 N 1.13 6.46 -0.04 3.32 1.47 -1.26 0.28 116.67 128.03 2ksq s ASP 93 Ca -0.04 2.73 -0.05 0.00 1.18 0.00 0.00 52.55 56.37 2ksq s ASP 93 Cb -0.14 -2.58 -0.28 0.00 -0.34 0.00 0.00 42.92 39.57 2ksq s ASP 93 CO -0.03 -0.95 0.69 0.77 0.68 0.00 0.00 175.17 176.33 2ksq h SER 94 N 7.65 0.44 0.19 2.11 4.64 -0.50 -3.33 113.55 124.75 2ksq h SER 94 Ca -0.44 -0.70 0.00 0.00 -0.47 0.00 0.00 61.79 60.18 2ksq h SER 94 Cb 1.21 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2ksq h SER 94 CO 0.94 1.60 -0.01 -3.20 -0.87 0.00 0.00 176.83 175.29 2ksq n ASN 95 N -3.47 0.12 -4.09 4.97 4.05 -1.25 -3.99 115.26 111.60 2ksq n ASN 95 Ca -0.22 -0.75 -0.36 0.00 0.45 0.00 0.00 54.58 53.70 2ksq n ASN 95 Cb 1.06 -0.09 -0.06 0.00 1.23 0.00 0.00 39.78 41.92 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 -1.01 4.27 0.22 1.20 2.03 -1.25 -4.87 116.55 117.14 2ksq n ASP 96 Ca 0.20 -3.15 0.07 0.00 0.52 0.00 0.00 54.79 52.43 2ksq n ASP 96 Cb 0.17 -1.05 0.50 0.00 -0.72 0.00 0.00 41.12 40.02 2ksq n ASP 96 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2ksq h ARG 97 N 5.91 0.00 -0.53 -0.67 2.43 -1.85 -2.77 114.38 116.90 2ksq h ARG 97 Ca 0.17 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.40 2ksq h ARG 97 Cb 0.80 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.29 2ksq h ARG 97 CO 0.87 0.26 0.23 0.66 -1.51 0.00 0.00 179.97 180.48 2ksq h SER 98 N 0.00 0.28 0.01 -3.80 4.64 -1.97 -2.39 113.55 110.32 2ksq h SER 98 Ca -0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2ksq h SER 98 Cb 0.56 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2ksq h SER 98 CO 0.03 0.19 -0.10 0.54 -0.87 0.00 0.00 176.83 176.62 2ksq n ARG 99 N -4.95 1.72 -0.10 4.77 1.74 -1.17 -4.50 116.66 114.18 2ksq n ARG 99 Ca 0.06 -1.24 0.25 0.00 -0.77 0.00 0.00 57.85 56.14 2ksq n ARG 99 Cb 0.19 -1.47 0.51 0.00 -1.02 0.00 0.00 32.46 30.67 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 3.04 0.09 0.02 0.55 6.09 -1.14 0.87 117.51 127.03 2ksq h ILE 100 Ca 0.00 0.00 -0.26 0.00 -1.37 0.00 0.00 64.86 63.23 2ksq h ILE 100 Cb 0.71 0.19 -0.04 0.00 0.47 0.00 0.00 36.82 38.15 2ksq h ILE 100 CO 0.00 0.00 -1.42 1.23 -3.07 0.00 0.00 178.15 174.89 2ksq h GLY 101 N 0.00 0.05 1.61 8.18 0.00 -1.79 -3.05 103.07 108.06 2ksq h GLY 101 Ca 0.38 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.54 2ksq h GLY 101 CO -0.00 0.11 -0.01 0.83 0.00 0.00 0.00 176.54 177.47 2ksq h GLU 102 N 0.01 0.49 -0.07 4.80 4.39 0.45 0.22 114.58 124.88 2ksq h GLU 102 Ca -0.18 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.29 2ksq h GLU 102 Cb 1.92 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 30.51 2ksq h GLU 102 CO 0.11 0.52 -0.45 0.00 -1.16 0.00 0.00 179.01 178.04 2ksq h ALA 103 N 1.53 0.14 -0.15 3.43 0.00 -1.56 -2.45 119.26 120.21 2ksq h ALA 103 Ca 0.10 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2ksq h ALA 103 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2ksq h ALA 103 CO 0.01 0.30 0.02 -0.09 0.00 0.00 0.00 179.25 179.49 2ksq h ARG 104 N -0.05 0.25 -0.89 0.00 2.43 -1.38 -2.63 114.38 112.12 2ksq h ARG 104 Ca -0.04 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2ksq h ARG 104 Cb 1.11 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 2ksq h ARG 104 CO 0.09 0.44 0.50 1.49 -1.51 0.00 0.00 179.97 180.99 2ksq h GLU 105 N 0.03 1.23 -0.34 0.20 4.81 -0.66 -2.24 114.58 117.61 2ksq h GLU 105 Ca 0.05 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 2ksq h GLU 105 Cb 0.31 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2ksq h GLU 105 CO 0.00 0.88 0.00 -0.39 -0.73 0.00 0.00 179.01 178.78 2ksq h VAL 106 N 1.23 1.19 -0.18 0.32 -1.51 -1.39 -2.68 116.25 113.23 2ksq h VAL 106 Ca 0.31 -0.77 -0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2ksq h VAL 106 Cb -0.00 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 2ksq h VAL 106 CO -0.05 0.26 0.09 -0.03 -1.23 0.00 0.00 177.57 176.61 2ksq h MET 107 N 0.50 0.26 -0.97 5.19 4.05 -1.02 -2.72 114.93 120.22 2ksq h MET 107 Ca 0.11 -0.03 0.15 0.00 -0.28 0.00 0.00 59.70 59.64 2ksq h MET 107 Cb 0.32 -0.05 -0.09 0.00 -0.80 0.00 0.00 31.60 30.98 2ksq h MET 107 CO 0.01 0.27 0.58 0.37 0.23 0.00 0.00 176.91 178.37 2ksq h GLN 108 N 0.18 0.82 -0.84 0.39 5.75 -1.14 0.31 115.11 120.58 2ksq h GLN 108 Ca 0.06 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2ksq h GLN 108 Cb 0.09 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 2ksq h GLN 108 CO -0.01 0.54 0.55 0.00 -2.65 0.00 0.00 178.83 177.26 2ksq h ARG 109 N 0.85 1.11 -0.29 1.69 3.08 -1.31 0.54 114.38 120.04 2ksq h ARG 109 Ca 0.51 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.38 2ksq h ARG 109 Cb 0.64 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2ksq h ARG 109 CO -0.32 0.74 -0.27 0.52 -1.07 0.00 0.00 179.97 179.57 2ksq h MET 110 N 1.14 0.69 0.00 0.04 2.86 -0.75 -2.39 114.93 116.51 2ksq h MET 110 Ca 0.31 -0.36 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2ksq h MET 110 Cb -0.12 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 2ksq h MET 110 CO -0.07 0.97 -0.19 1.25 1.06 0.00 0.00 176.91 179.93 2ksq h LEU 111 N 0.43 0.00 -0.87 1.22 6.46 0.05 -2.78 115.31 119.81 2ksq h LEU 111 Ca 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2ksq h LEU 111 Cb 0.83 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.76 2ksq h LEU 111 CO 0.07 0.19 -0.26 0.59 -0.62 0.00 0.00 178.44 178.41 2ksq n ASN 112 N -3.39 1.60 -4.73 1.25 5.03 0.18 -4.83 115.26 110.38 2ksq n ASN 112 Ca -0.00 -1.29 -0.40 0.00 0.87 0.00 0.00 54.58 53.76 2ksq n ASN 112 Cb 0.39 0.20 -0.05 0.00 -1.02 0.00 0.00 39.78 39.31 2ksq n ASN 112 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2ksq s GLU 113 N -2.36 4.47 0.33 3.52 2.56 -0.91 -4.95 118.70 121.36 2ksq s GLU 113 Ca 0.25 1.02 0.06 0.00 0.00 0.00 0.00 54.97 56.29 2ksq s GLU 113 Cb 0.19 -3.42 0.59 0.00 2.00 0.00 0.00 34.13 33.49 2ksq s GLU 113 CO 0.48 0.12 1.82 0.22 -0.56 0.00 0.00 175.26 177.35 2ksq h ASP 114 N 6.39 0.38 0.80 -1.70 1.82 -1.91 -1.10 116.42 121.10 2ksq h ASP 114 Ca -0.42 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.12 2ksq h ASP 114 Cb 1.20 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.11 2ksq h ASP 114 CO 0.74 0.56 0.00 -0.33 -1.61 0.00 0.00 179.24 178.60 2ksq h GLU 115 N 0.36 0.00 0.00 0.28 3.07 -1.93 -3.02 114.58 113.35 2ksq h GLU 115 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2ksq h GLU 115 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2ksq h GLU 115 CO 0.03 0.00 -0.08 -0.11 -1.40 0.00 0.00 179.01 177.45 2ksq n LEU 116 N -2.45 1.73 0.00 1.33 7.94 -0.78 -4.70 117.00 120.07 2ksq n LEU 116 Ca 0.02 -2.27 0.12 0.00 -1.11 0.00 0.00 56.01 52.78 2ksq n LEU 116 Cb 0.25 -0.22 0.69 0.00 0.53 0.00 0.00 43.42 44.67 2ksq n LEU 116 CO 0.22 0.53 0.92 0.00 -1.11 0.00 0.00 177.39 177.95 2ksq n ASN 118 N -1.13 0.91 -4.87 0.00 0.23 -1.26 -4.99 115.26 104.13 2ksq n ASN 118 Ca 0.16 -0.95 -0.33 0.00 -0.53 0.00 0.00 54.58 52.92 2ksq n ASN 118 Cb 0.14 0.77 -0.05 0.00 -2.08 0.00 0.00 39.78 38.55 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 -1.86 3.67 0.95 -2.53 0.00 -1.10 -4.90 121.76 115.98 2ksq s ALA 119 Ca 0.07 -0.35 -0.16 0.00 0.00 0.00 0.00 51.96 51.52 2ksq s ALA 119 Cb 0.09 -2.33 0.19 0.00 0.00 0.00 0.00 23.12 21.08 2ksq s ALA 119 CO 0.40 0.56 1.30 0.00 0.00 0.00 0.00 175.76 178.02 2ksq s ALA 120 N -1.62 2.22 -0.11 0.00 0.00 -1.17 -4.79 121.76 116.29 2ksq s ALA 120 Ca 0.41 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 2ksq s ALA 120 Cb -0.13 -2.80 0.05 0.00 0.00 0.00 0.00 23.12 20.24 2ksq s ALA 120 CO 0.21 -2.39 0.14 -1.58 0.00 0.00 0.00 175.76 172.13 2ksq s TRP 121 N -3.82 -0.07 -0.22 0.00 0.51 -1.14 -1.25 118.94 112.95 2ksq s TRP 121 Ca 0.72 0.28 0.02 0.00 -2.12 0.00 0.00 56.10 55.00 2ksq s TRP 121 Cb -0.05 -0.41 0.05 0.00 -0.81 0.00 0.00 33.47 32.24 2ksq s TRP 121 CO 0.53 -0.36 -0.12 -1.17 -0.51 0.00 0.00 176.95 175.31 2ksq s LEU 122 N 2.24 2.77 -0.15 2.99 2.96 0.33 -2.81 118.68 127.02 2ksq s LEU 122 Ca 0.04 -1.08 -0.14 0.00 -0.22 0.00 0.00 54.13 52.73 2ksq s LEU 122 Cb -0.13 -1.41 -0.05 0.00 0.50 0.00 0.00 46.19 45.10 2ksq s LEU 122 CO -0.07 -0.14 0.30 0.68 -1.32 0.00 0.00 176.35 175.80 2ksq s VAL 123 N 1.25 5.30 -0.24 1.68 -7.23 -0.34 0.11 120.40 120.94 2ksq s VAL 123 Ca -0.04 0.56 0.01 0.00 -1.81 0.00 0.00 61.98 60.71 2ksq s VAL 123 Cb -0.17 -3.64 0.06 0.00 0.56 0.00 0.00 36.38 33.19 2ksq s VAL 123 CO -0.08 0.40 -0.05 -0.36 -0.31 0.00 0.00 175.10 174.70 2ksq s PHE 124 N 0.41 2.49 -0.37 2.82 0.40 -0.76 -2.05 117.98 120.92 2ksq s PHE 124 Ca 0.17 -1.84 -0.27 0.00 -0.60 0.00 0.00 56.93 54.39 2ksq s PHE 124 Cb -0.13 -1.65 -0.06 0.00 0.51 0.00 0.00 43.02 41.69 2ksq s PHE 124 CO 0.04 -0.79 2.28 0.00 0.70 0.00 0.00 175.22 177.45 2ksq s ALA 125 N 1.36 2.18 0.85 5.36 0.00 -1.01 -2.93 121.76 127.57 2ksq s ALA 125 Ca -0.05 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.11 2ksq s ALA 125 Cb -0.19 -4.21 0.11 0.00 0.00 0.00 0.00 23.12 18.82 2ksq s ALA 125 CO -0.07 -3.64 1.17 -0.80 0.00 0.00 0.00 175.76 172.42 2ksq s ASN 126 N 10.07 4.10 -1.98 0.00 0.02 0.14 -2.12 114.94 125.18 2ksq s ASN 126 Ca 0.97 0.81 0.00 0.00 -1.02 0.00 0.00 52.86 53.62 2ksq s ASN 126 Cb -0.24 -1.30 0.00 0.00 0.02 0.00 0.00 41.25 39.73 2ksq s ASN 126 CO 0.30 -2.16 0.00 0.29 0.02 0.00 0.00 177.10 175.55 2ksq n LYS 127 N -3.49 -1.42 0.21 -0.60 4.01 -1.26 0.23 118.16 115.84 2ksq n LYS 127 Ca 0.08 1.10 0.05 0.00 -0.51 0.00 0.00 58.31 59.03 2ksq n LYS 127 Cb 0.60 -5.46 0.45 0.00 -0.51 0.00 0.00 35.03 30.12 2ksq n LYS 127 CO 0.00 0.00 0.00 0.37 -1.11 0.00 0.00 177.40 176.66 2ksq h GLN 128 N 0.00 0.00 0.00 1.97 5.75 -1.57 -2.28 115.11 118.98 2ksq h GLN 128 Ca -0.39 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.11 2ksq h GLN 128 Cb 1.23 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.78 2ksq h GLN 128 CO 0.56 0.27 -0.02 0.38 -2.65 0.00 0.00 178.83 177.37 2ksq h ASP 129 N 0.00 0.00 -3.68 -0.69 3.04 -1.88 -3.41 116.42 109.79 2ksq h ASP 129 Ca -0.00 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 53.26 2ksq h ASP 129 Cb 0.51 0.00 0.07 0.00 -1.04 0.00 0.00 39.33 38.86 2ksq h ASP 129 CO 0.04 0.02 0.70 -0.76 -2.04 0.00 0.00 179.24 177.20 2ksq s LEU 130 N -6.31 4.40 0.49 0.15 1.43 -0.86 -4.89 118.68 113.10 2ksq s LEU 130 Ca -0.01 2.71 0.29 0.00 -1.03 0.00 0.00 54.13 56.09 2ksq s LEU 130 Cb 0.10 -3.64 1.37 0.00 0.03 0.00 0.00 46.19 44.06 2ksq s LEU 130 CO 0.52 -0.64 1.83 -0.65 0.23 0.00 0.00 176.35 177.65 2ksq h PRO 131 N 4.03 0.13 -0.77 1.29 0.11 -1.89 0.38 132.00 135.29 2ksq h PRO 131 Ca -0.48 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 2ksq h PRO 131 Cb 1.22 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 2ksq h PRO 131 CO 0.70 0.09 0.12 0.39 -0.21 0.00 0.00 178.00 179.09 2ksq n GLU 132 N -4.35 3.38 -2.35 1.05 1.02 -1.26 -4.95 120.64 113.19 2ksq n GLU 132 Ca 0.22 -2.28 -0.42 0.00 -0.02 0.00 0.00 57.16 54.67 2ksq n GLU 132 Cb 1.00 -2.01 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ksq s ALA 133 N -2.32 3.45 1.15 0.62 0.00 0.13 -4.64 121.76 120.16 2ksq s ALA 133 Ca 0.40 0.93 -0.15 0.00 0.00 0.00 0.00 51.96 53.14 2ksq s ALA 133 Cb 0.32 -3.47 0.26 0.00 0.00 0.00 0.00 23.12 20.23 2ksq s ALA 133 CO 0.11 -0.48 1.06 -1.64 0.00 0.00 0.00 175.76 174.80 2ksq s MET 134 N 1.03 -0.78 0.53 0.00 -1.94 -1.26 -4.99 119.30 111.90 2ksq s MET 134 Ca 0.60 0.37 -0.03 0.00 -1.71 0.00 0.00 55.69 54.92 2ksq s MET 134 Cb -0.32 -1.61 0.00 0.00 2.01 0.00 0.00 34.83 34.92 2ksq s MET 134 CO 0.30 -3.51 0.80 0.45 -0.01 0.00 0.00 175.02 173.04 2ksq s SER 135 N -3.31 5.70 0.23 3.03 0.15 -1.26 -4.99 113.70 113.25 2ksq s SER 135 Ca 0.68 0.52 -0.04 0.00 0.70 0.00 0.00 55.95 57.81 2ksq s SER 135 Cb -0.17 -1.63 0.24 0.00 -1.71 0.00 0.00 66.02 62.75 2ksq s SER 135 CO 0.59 -0.90 1.68 0.00 1.20 0.00 0.00 173.24 175.81 2ksq h ALA 136 N 0.08 0.96 -0.45 5.45 0.00 -2.00 -2.78 119.26 120.53 2ksq h ALA 136 Ca -0.46 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.14 2ksq h ALA 136 Cb 1.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2ksq h ALA 136 CO 0.59 0.61 0.30 0.00 0.00 0.00 0.00 179.25 180.75 2ksq h ALA 137 N 1.14 1.72 -0.00 0.00 0.00 -1.99 -0.75 119.26 119.39 2ksq h ALA 137 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2ksq h ALA 137 Cb 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2ksq h ALA 137 CO 0.04 0.25 -0.06 0.93 0.00 0.00 0.00 179.25 180.40 2ksq h GLU 138 N 0.57 0.05 -0.98 0.00 5.08 -1.90 -1.12 114.58 116.28 2ksq h GLU 138 Ca 0.17 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2ksq h GLU 138 Cb -0.01 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2ksq h GLU 138 CO -0.04 0.81 0.64 0.82 -1.00 0.00 0.00 179.01 180.24 2ksq h ILE 139 N -0.69 1.20 0.13 3.13 1.08 -1.33 -0.69 117.51 120.33 2ksq h ILE 139 Ca -0.01 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 64.02 2ksq h ILE 139 Cb 0.83 -0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.40 2ksq h ILE 139 CO 0.01 0.23 -0.06 0.74 -0.69 0.00 0.00 178.15 178.38 2ksq h THR 140 N 1.27 1.05 0.29 -0.27 2.02 -1.21 -2.59 112.91 113.47 2ksq h THR 140 Ca 0.38 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2ksq h THR 140 Cb -0.06 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2ksq h THR 140 CO -0.11 0.20 -0.27 -0.08 0.37 0.00 0.00 175.52 175.63 2ksq h GLU 141 N -0.59 -0.56 -0.46 6.66 4.22 -1.01 -2.11 114.58 120.72 2ksq h GLU 141 Ca -0.02 0.04 0.12 0.00 0.08 0.00 0.00 59.36 59.58 2ksq h GLU 141 Cb 0.46 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2ksq h GLU 141 CO 0.03 -0.37 0.33 0.87 -2.18 0.00 0.00 179.01 177.68 2ksq h LYS 142 N -0.58 0.07 -0.01 1.92 1.79 -1.22 0.30 116.57 118.84 2ksq h LYS 142 Ca -0.01 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2ksq h LYS 142 Cb 0.53 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2ksq h LYS 142 CO -0.05 0.05 0.00 1.28 -1.08 0.00 0.00 179.45 179.65 2ksq n LEU 143 N -4.42 0.57 -2.89 2.94 7.99 -0.85 -4.91 117.00 115.43 2ksq n LEU 143 Ca 0.08 -0.19 -0.22 0.00 -0.01 0.00 0.00 56.01 55.67 2ksq n LEU 143 Cb 0.49 -0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.82 2ksq n LEU 143 CO 0.36 0.10 -0.06 0.61 -1.51 0.00 0.00 177.39 176.88 2ksq n GLY 144 N 1.06 -0.52 0.37 -0.72 0.00 0.11 -4.88 105.19 100.60 2ksq n GLY 144 Ca 0.22 0.10 -0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.06 1.01 -0.89 0.99 5.85 -1.61 -1.46 115.31 118.15 2ksq h LEU 145 Ca -0.52 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.07 2ksq h LEU 145 Cb 1.36 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2ksq h LEU 145 CO 0.57 0.72 -0.53 0.45 -0.34 0.00 0.00 178.44 179.31 2ksq h HIS 146 N 1.18 0.00 0.00 1.25 3.86 -1.90 -2.86 115.15 116.68 2ksq h HIS 146 Ca 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2ksq h HIS 146 Cb -0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.39 2ksq h HIS 146 CO -0.00 0.53 -0.25 -1.13 0.86 0.00 0.00 177.93 177.94 2ksq n SER 147 N -3.80 0.28 -4.40 2.45 3.41 -0.80 -4.71 113.62 106.04 2ksq n SER 147 Ca -0.01 0.16 -0.41 0.00 -0.26 0.00 0.00 58.87 58.35 2ksq n SER 147 Cb 0.56 -0.16 -0.11 0.00 -0.26 0.00 0.00 64.21 64.24 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 -3.01 4.76 -0.07 -1.33 1.01 -0.62 -4.88 121.20 117.07 2ksq s ILE 148 Ca 0.12 -0.80 0.13 0.00 0.00 0.00 0.00 60.65 60.10 2ksq s ILE 148 Cb 0.18 -3.66 0.25 0.00 0.01 0.00 0.00 42.46 39.24 2ksq s ILE 148 CO 0.61 -0.25 1.12 -1.14 0.00 0.00 0.00 174.94 175.28 2ksq n ARG 149 N 5.04 0.62 0.00 2.79 0.63 -1.26 -4.73 116.66 119.74 2ksq n ARG 149 Ca -0.12 -2.04 0.05 0.00 -0.92 0.00 0.00 57.85 54.83 2ksq n ARG 149 Cb 0.46 -0.85 -0.03 0.00 0.45 0.00 0.00 32.46 32.50 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 -0.47 0.98 -3.79 6.15 6.94 -1.26 -4.96 115.26 118.86 2ksq n ASN 150 Ca 0.09 -0.99 -0.18 0.00 -0.02 0.00 0.00 54.58 53.48 2ksq n ASN 150 Cb 0.78 0.69 -0.16 0.00 -2.36 0.00 0.00 39.78 38.73 2ksq n ASN 150 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 2ksq s ARG 151 N -1.72 0.23 -0.59 -3.83 6.06 -1.26 -5.10 118.95 112.74 2ksq s ARG 151 Ca 0.07 0.13 -0.26 0.00 -2.50 0.00 0.00 55.73 53.17 2ksq s ARG 151 Cb 0.09 -0.49 -0.03 0.00 0.06 0.00 0.00 34.95 34.57 2ksq s ARG 151 CO 0.36 -0.18 2.00 -1.25 -2.50 0.00 0.00 175.30 173.73 2ksq s PRO 152 N 1.26 2.48 0.02 5.12 0.04 -1.26 -4.94 135.00 137.72 2ksq s PRO 152 Ca -0.07 0.79 -0.08 0.00 0.04 0.00 0.00 61.00 61.68 2ksq s PRO 152 Cb -0.13 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2ksq s PRO 152 CO -0.02 -2.90 0.16 1.67 0.04 0.00 0.00 177.00 175.95 2ksq s TRP 153 N 9.92 0.05 0.05 0.56 1.48 -1.25 -2.88 118.94 126.87 2ksq s TRP 153 Ca 0.75 -0.19 0.00 0.00 -1.06 0.00 0.00 56.10 55.60 2ksq s TRP 153 Cb -0.14 -0.04 -0.03 0.00 -1.16 0.00 0.00 33.47 32.10 2ksq s TRP 153 CO 0.21 -0.35 -0.04 -0.06 -4.06 0.00 0.00 176.95 172.66 2ksq s PHE 154 N -1.89 0.50 -0.09 1.66 0.08 -1.12 -5.03 117.98 112.10 2ksq s PHE 154 Ca -0.11 -0.79 0.03 0.00 0.12 0.00 0.00 56.93 56.18 2ksq s PHE 154 Cb -0.05 -0.34 -0.01 0.00 -0.57 0.00 0.00 43.02 42.05 2ksq s PHE 154 CO -0.01 -0.25 -0.19 -1.50 -0.10 0.00 0.00 175.22 173.18 2ksq s ILE 155 N -2.72 2.55 -0.00 0.64 2.07 -1.26 -1.19 121.20 121.29 2ksq s ILE 155 Ca -0.02 -0.87 0.02 0.00 -1.41 0.00 0.00 60.65 58.37 2ksq s ILE 155 Cb -0.01 -2.00 -0.01 0.00 0.13 0.00 0.00 42.46 40.57 2ksq s ILE 155 CO -0.05 0.56 -0.08 -1.58 -1.91 0.00 0.00 174.94 171.88 2ksq s GLN 156 N 0.02 0.62 0.27 3.50 -0.44 -0.87 -5.02 119.66 117.74 2ksq s GLN 156 Ca -0.07 -0.30 -0.29 0.00 -2.50 0.00 0.00 55.36 52.20 2ksq s GLN 156 Cb -0.15 -0.59 -0.10 0.00 -1.64 0.00 0.00 33.01 30.53 2ksq s GLN 156 CO 0.05 0.16 1.29 0.00 0.50 0.00 0.00 175.29 177.29 2ksq s ALA 157 N -0.24 3.50 -0.08 1.58 0.00 -1.26 -2.39 121.76 122.87 2ksq s ALA 157 Ca 0.02 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.15 2ksq s ALA 157 Cb -0.03 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2ksq s ALA 157 CO -0.00 -0.54 -0.07 0.99 0.00 0.00 0.00 175.76 176.14 2ksq s THR 158 N -0.65 0.86 -0.33 0.00 2.01 -0.90 -4.79 115.64 111.84 2ksq s THR 158 Ca 0.52 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.31 2ksq s THR 158 Cb -0.38 -0.87 0.10 0.00 0.01 0.00 0.00 72.50 71.36 2ksq s THR 158 CO 0.46 0.32 0.05 0.00 -0.69 0.00 0.00 174.62 174.76 2ksq h ALA 160 N 7.68 0.66 -0.96 0.00 0.00 -1.94 0.25 119.26 124.95 2ksq h ALA 160 Ca -0.06 -0.68 0.19 0.00 0.00 0.00 0.00 54.91 54.36 2ksq h ALA 160 Cb 1.02 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 2ksq h ALA 160 CO 0.51 0.90 0.61 1.79 0.00 0.00 0.00 179.25 183.07 2ksq h THR 161 N 0.07 0.70 0.00 0.00 1.35 -1.98 -3.09 112.91 109.97 2ksq h THR 161 Ca -0.02 -0.21 -0.25 0.00 -0.55 0.00 0.00 66.41 65.38 2ksq h THR 161 Cb 1.38 0.04 -0.05 0.00 -1.73 0.00 0.00 68.15 67.79 2ksq h THR 161 CO 0.11 0.11 -1.94 -1.20 -0.25 0.00 0.00 175.52 172.36 2ksq n SER 162 N -4.63 2.47 0.00 5.36 7.64 -1.22 -4.91 113.62 118.32 2ksq n SER 162 Ca 0.21 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2ksq n SER 162 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 2.58 0.93 3.77 0.23 0.00 0.88 -5.00 105.19 108.57 2ksq n GLY 163 Ca -0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.98 4.40 0.00 1.61 2.02 -1.16 -3.23 118.70 121.35 2ksq s GLU 164 Ca 0.00 1.92 0.00 0.00 0.02 0.00 0.00 54.97 56.91 2ksq s GLU 164 Cb 0.00 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.22 2ksq s GLU 164 CO 0.00 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.64 2ksq n GLY 165 N 0.91 2.97 0.32 -1.39 0.00 -1.26 -3.74 105.19 103.00 2ksq n GLY 165 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 1.08 -0.69 0.99 3.38 -1.85 -2.86 115.31 115.35 2ksq h LEU 166 Ca 0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2ksq h LEU 166 Cb 0.00 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2ksq h LEU 166 CO 0.00 1.06 0.31 1.88 0.09 0.00 0.00 178.44 181.78 2ksq h TYR 167 N 1.06 1.02 -0.84 1.13 0.05 -1.89 -2.60 116.97 114.89 2ksq h TYR 167 Ca 0.21 -0.06 0.05 0.00 0.05 0.00 0.00 58.73 58.98 2ksq h TYR 167 Cb 0.43 -0.31 -0.05 0.00 1.01 0.00 0.00 36.73 37.81 2ksq h TYR 167 CO 0.03 0.77 0.55 0.93 -1.05 0.00 0.00 178.16 179.40 2ksq h GLU 168 N 0.97 0.97 -0.39 4.88 5.08 -1.91 -2.65 114.58 121.53 2ksq h GLU 168 Ca 0.23 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2ksq h GLU 168 Cb 0.16 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2ksq h GLU 168 CO -0.03 0.64 0.18 0.78 -1.00 0.00 0.00 179.01 179.59 2ksq h GLY 169 N 1.00 0.60 2.00 -3.84 0.00 -1.27 -2.12 103.07 99.45 2ksq h GLY 169 Ca 0.35 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2ksq h GLY 169 CO -0.11 0.29 -0.18 -2.00 0.00 0.00 0.00 176.54 174.53 2ksq h LEU 170 N 0.49 0.00 -0.27 3.11 5.85 -1.40 -2.61 115.31 120.48 2ksq h LEU 170 Ca 0.13 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.65 2ksq h LEU 170 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2ksq h LEU 170 CO -0.02 0.18 -0.81 -0.33 -0.34 0.00 0.00 178.44 177.12 2ksq h GLU 171 N 0.00 0.50 -0.40 1.25 4.39 -1.15 -2.97 114.58 116.20 2ksq h GLU 171 Ca -0.00 -0.45 -0.03 0.00 0.34 0.00 0.00 59.36 59.22 2ksq h GLU 171 Cb 0.34 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2ksq h GLU 171 CO 0.02 1.08 0.14 -1.49 -1.16 0.00 0.00 179.01 177.60 2ksq h TRP 172 N 0.32 0.64 0.17 4.33 -0.00 -1.01 -2.72 115.95 117.68 2ksq h TRP 172 Ca -0.05 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.89 58.77 2ksq h TRP 172 Cb 1.42 -0.19 0.00 0.00 -0.00 0.00 0.00 29.16 30.40 2ksq h TRP 172 CO 0.06 0.58 -0.08 1.25 -0.00 0.00 0.00 178.44 180.25 2ksq h LEU 173 N 0.51 -0.20 -1.85 -4.49 6.46 -1.57 -2.72 115.31 111.45 2ksq h LEU 173 Ca 0.13 -0.10 0.16 0.00 -0.12 0.00 0.00 57.88 57.95 2ksq h LEU 173 Cb 0.24 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 2ksq h LEU 173 CO -0.01 -0.03 0.44 0.77 -0.62 0.00 0.00 178.44 178.99 2ksq h SER 174 N -0.36 0.14 0.47 1.25 4.64 -1.51 -0.39 113.55 117.79 2ksq h SER 174 Ca -0.02 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.14 2ksq h SER 174 Cb 0.28 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2ksq h SER 174 CO 0.04 0.07 -0.73 -1.13 -0.87 0.00 0.00 176.83 174.21 2ksq h ASN 175 N 0.15 0.26 0.42 4.97 -1.24 -1.24 -2.64 115.58 116.26 2ksq h ASN 175 Ca 0.30 -0.17 -0.08 0.00 0.71 0.00 0.00 56.30 57.06 2ksq h ASN 175 Cb 0.98 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.94 2ksq h ASN 175 CO -0.04 0.90 -0.36 0.00 -1.29 0.00 0.00 177.43 176.63 2ksq n LEU 177 N -4.01 1.82 -0.23 0.00 7.99 -1.16 -4.44 117.00 116.98 2ksq n LEU 177 Ca -0.02 0.60 -0.02 0.00 -0.01 0.00 0.00 56.01 56.56 2ksq n LEU 177 Cb 0.41 -0.87 0.18 0.00 -0.11 0.00 0.00 43.42 43.03 2ksq n LEU 177 CO 0.38 -0.42 1.13 0.50 -1.51 0.00 0.00 177.39 177.48 2ksq h LYS 178 N -1.00 1.03 -7.00 3.23 3.64 -1.60 -3.46 116.57 111.41 2ksq h LYS 178 Ca -0.02 -0.12 -0.60 0.00 -1.27 0.00 0.00 60.65 58.63 2ksq h LYS 178 Cb 0.60 -0.20 -0.18 0.00 -0.41 0.00 0.00 32.23 32.04 2ksq h LYS 178 CO -0.01 0.77 -0.96 0.27 -2.27 0.00 0.00 179.45 177.25 2ksq n ASN 179 N -4.34 0.59 -3.81 4.20 6.94 0.00 -4.91 115.26 113.93 2ksq n ASN 179 Ca 0.07 -1.24 -0.29 0.00 -0.02 0.00 0.00 54.58 53.10 2ksq n ASN 179 Cb 0.12 -1.81 -0.12 0.00 -2.36 0.00 0.00 39.78 35.60 2ksq n ASN 179 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2ksq s SER 180 N -4.36 4.03 0.00 0.53 0.15 -1.26 -5.10 113.70 107.69 2ksq s SER 180 Ca 0.02 -3.30 0.00 0.00 0.70 0.00 0.00 55.95 53.37 2ksq s SER 180 Cb -0.01 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.94 2ksq s SER 180 CO 0.98 -0.17 0.00 0.41 1.20 0.00 0.00 173.24 175.66