#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbq s ASN 2 N 0.00 5.28 0.11 4.39 0.02 -1.26 -0.55 114.94 122.93 3kbq s ASN 2 Ca 0.00 0.06 0.05 0.00 -1.02 0.00 0.00 52.86 51.95 3kbq s ASN 2 Cb 0.00 -1.43 -0.04 0.00 0.02 0.00 0.00 41.25 39.80 3kbq s ASN 2 CO 0.00 0.30 -0.12 0.00 0.02 0.00 0.00 177.10 177.30 3kbq s ALA 3 N -1.08 1.34 0.11 0.60 0.00 0.28 -1.33 121.76 121.69 3kbq s ALA 3 Ca 0.19 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 50.93 3kbq s ALA 3 Cb -0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 3kbq s ALA 3 CO 0.10 0.03 -0.13 -1.12 0.00 0.00 0.00 175.76 174.64 3kbq s SER 4 N -2.52 1.80 -0.05 0.00 0.01 -0.65 0.62 113.70 112.91 3kbq s SER 4 Ca 0.08 -0.80 0.06 0.00 1.31 0.00 0.00 55.95 56.60 3kbq s SER 4 Cb -0.03 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 3kbq s SER 4 CO 0.02 -0.18 -0.23 -0.69 0.41 0.00 0.00 173.24 172.57 3kbq s VAL 5 N -2.17 2.25 -0.06 3.43 1.01 -0.36 -1.67 120.40 122.84 3kbq s VAL 5 Ca 0.07 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.10 3kbq s VAL 5 Cb -0.05 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 3kbq s VAL 5 CO 0.02 0.57 -0.22 -0.63 0.00 0.00 0.00 175.10 174.85 3kbq s ILE 6 N -0.31 2.35 -0.16 2.22 1.01 0.63 -1.46 121.20 125.49 3kbq s ILE 6 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.70 3kbq s ILE 6 Cb -0.13 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.46 3kbq s ILE 6 CO 0.02 0.57 -0.16 -0.89 0.00 0.00 0.00 174.94 174.48 3kbq s THR 7 N -0.22 2.59 -0.21 2.92 2.01 0.29 -1.33 115.64 121.69 3kbq s THR 7 Ca -0.01 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 3kbq s THR 7 Cb -0.13 -2.09 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 3kbq s THR 7 CO 0.03 0.52 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.73 3kbq s VAL 8 N 0.90 3.31 0.00 3.82 1.01 -0.19 -0.85 120.40 128.40 3kbq s VAL 8 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.43 3kbq s VAL 8 Cb -0.15 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3kbq s VAL 8 CO -0.02 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.13 3kbq n GLY 9 N 4.68 2.74 0.36 4.51 0.00 -0.29 -3.94 105.19 113.25 3kbq n GLY 9 Ca -0.18 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3kbq n GLY 9 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kbq h ASN 10 N 0.00 0.38 0.14 1.61 2.35 -1.91 -2.61 115.58 115.54 3kbq h ASN 10 Ca 0.00 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 3kbq h ASN 10 Cb 0.00 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3kbq h ASN 10 CO 0.00 0.22 -0.24 1.05 -1.65 0.00 0.00 177.43 176.81 3kbq h GLU 11 N 0.42 0.18 0.10 0.81 9.09 -1.95 -0.95 114.58 122.28 3kbq h GLU 11 Ca 0.30 -0.06 -0.00 0.00 0.05 0.00 0.00 59.36 59.65 3kbq h GLU 11 Cb 0.60 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.68 3kbq h GLU 11 CO -0.09 0.42 -0.05 0.82 0.05 0.00 0.00 179.01 180.17 3kbq h ILE 12 N 0.17 1.09 -0.98 -1.06 1.08 -1.69 0.63 117.51 116.74 3kbq h ILE 12 Ca 0.03 -0.77 0.08 0.00 -0.39 0.00 0.00 64.86 63.80 3kbq h ILE 12 Cb 0.53 1.58 -0.07 0.00 -3.07 0.00 0.00 36.82 35.79 3kbq h ILE 12 CO 0.04 0.19 0.63 -0.07 -0.69 0.00 0.00 178.15 178.24 3kbq h LEU 13 N -0.50 0.98 -0.13 1.44 3.38 -1.42 -1.20 115.31 117.86 3kbq h LEU 13 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kbq h LEU 13 Cb 0.41 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kbq h LEU 13 CO 0.02 0.61 -0.02 0.29 0.09 0.00 0.00 178.44 179.43 3kbq n LYS 14 N -4.52 0.88 -2.24 1.13 5.02 -0.38 -4.91 118.16 113.13 3kbq n LYS 14 Ca 0.16 -0.13 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 3kbq n LYS 14 Cb 0.22 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 3kbq n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kbq n GLY 15 N 1.13 -0.16 0.16 0.72 0.00 -0.45 -4.91 105.19 101.67 3kbq n GLY 15 Ca 0.20 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 3kbq n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kbq h ARG 16 N 0.00 0.35 -4.53 1.61 2.47 -1.11 -3.44 114.38 109.73 3kbq h ARG 16 Ca -0.31 -0.33 -0.48 0.00 -1.26 0.00 0.00 59.98 57.61 3kbq h ARG 16 Cb 1.23 0.08 -0.33 0.00 -1.65 0.00 0.00 29.97 29.30 3kbq h ARG 16 CO 0.36 0.99 -0.80 0.99 0.56 0.00 0.00 179.97 182.07 3kbq s THR 17 N -3.44 0.97 0.36 2.04 2.01 -1.15 -5.05 115.64 111.38 3kbq s THR 17 Ca -0.05 -0.41 -0.27 0.00 0.31 0.00 0.00 61.69 61.28 3kbq s THR 17 Cb 0.10 -0.89 -0.09 0.00 0.01 0.00 0.00 72.50 71.63 3kbq s THR 17 CO 0.84 0.31 1.16 -0.69 -0.69 0.00 0.00 174.62 175.55 3kbq s VAL 18 N 0.55 3.23 -1.31 3.82 1.01 -1.26 -4.49 120.40 121.95 3kbq s VAL 18 Ca -0.11 1.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.81 3kbq s VAL 18 Cb -0.14 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.60 3kbq s VAL 18 CO 0.02 0.15 2.14 -3.20 0.00 0.00 0.00 175.10 174.21 3kbq n ASN 19 N 0.41 3.66 0.03 3.32 2.85 -1.26 -4.66 115.26 119.61 3kbq n ASN 19 Ca 0.03 -2.81 -0.04 0.00 -0.11 0.00 0.00 54.58 51.64 3kbq n ASN 19 Cb 0.46 -1.56 0.18 0.00 1.24 0.00 0.00 39.78 40.10 3kbq n ASN 19 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 3kbq h THR 20 N 4.22 1.29 -0.36 -0.44 1.35 -2.01 -3.07 112.91 113.90 3kbq h THR 20 Ca 0.53 -1.44 0.07 0.00 -0.55 0.00 0.00 66.41 65.01 3kbq h THR 20 Cb 0.66 1.52 -0.06 0.00 -1.73 0.00 0.00 68.15 68.55 3kbq h THR 20 CO 1.87 0.45 -0.02 0.78 -0.25 0.00 0.00 175.52 178.35 3kbq h ASN 21 N 0.36 -0.18 -0.67 5.36 4.21 -1.94 -1.35 115.58 121.38 3kbq h ASN 21 Ca 0.04 0.09 0.01 0.00 1.21 0.00 0.00 56.30 57.64 3kbq h ASN 21 Cb 0.79 0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 38.12 3kbq h ASN 21 CO 0.06 -0.05 0.44 0.00 -1.29 0.00 0.00 177.43 176.59 3kbq h ALA 22 N 1.32 1.53 -0.11 -0.83 0.00 -1.93 0.33 119.26 119.56 3kbq h ALA 22 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kbq h ALA 22 Cb 0.24 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kbq h ALA 22 CO -0.30 0.44 0.02 0.00 0.00 0.00 0.00 179.25 179.41 3kbq h ALA 23 N 1.59 0.14 -0.34 0.00 0.00 -1.45 0.28 119.26 119.48 3kbq h ALA 23 Ca 0.24 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kbq h ALA 23 Cb -0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3kbq h ALA 23 CO -0.05 -0.22 0.21 0.35 0.00 0.00 0.00 179.25 179.54 3kbq h PHE 24 N -0.04 0.40 0.38 0.00 3.57 -0.88 -0.94 116.94 119.43 3kbq h PHE 24 Ca 0.03 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3kbq h PHE 24 Cb 0.27 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.87 3kbq h PHE 24 CO 0.01 0.25 -0.18 0.82 -2.23 0.00 0.00 178.31 176.98 3kbq h ILE 25 N 0.44 0.63 -0.49 1.41 2.04 -0.92 0.17 117.51 120.79 3kbq h ILE 25 Ca 0.13 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 66.05 3kbq h ILE 25 Cb -0.03 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 3kbq h ILE 25 CO -0.04 0.00 0.13 1.23 0.00 0.00 0.00 178.15 179.47 3kbq h GLY 26 N -0.51 0.62 0.92 5.37 0.00 -0.35 -0.26 103.07 108.85 3kbq h GLY 26 Ca -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3kbq h GLY 26 CO 0.08 -0.04 0.12 -0.57 0.00 0.00 0.00 176.54 176.13 3kbq h ASN 27 N 0.27 0.37 -0.37 0.19 -1.24 -1.13 0.02 115.58 113.70 3kbq h ASN 27 Ca 0.24 -0.15 0.03 0.00 0.71 0.00 0.00 56.30 57.13 3kbq h ASN 27 Cb 0.30 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.22 3kbq h ASN 27 CO -0.29 0.42 0.18 0.15 -1.29 0.00 0.00 177.43 176.60 3kbq h PHE 28 N 0.29 0.33 -0.35 0.67 3.57 -0.52 0.29 116.94 121.23 3kbq h PHE 28 Ca 0.09 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3kbq h PHE 28 Cb 0.16 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3kbq h PHE 28 CO -0.01 0.18 0.02 -0.07 -2.23 0.00 0.00 178.31 176.20 3kbq h LEU 29 N 0.37 0.58 -0.28 0.59 3.38 -0.97 -2.52 115.31 116.47 3kbq h LEU 29 Ca 0.15 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3kbq h LEU 29 Cb 0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3kbq h LEU 29 CO -0.11 0.73 0.13 0.74 0.09 0.00 0.00 178.44 180.02 3kbq h THR 30 N 0.42 0.98 -0.95 0.22 2.02 -0.80 -1.75 112.91 113.05 3kbq h THR 30 Ca 0.10 -0.10 0.12 0.00 0.77 0.00 0.00 66.41 67.31 3kbq h THR 30 Cb 0.41 0.68 -0.08 0.00 -1.74 0.00 0.00 68.15 67.42 3kbq h THR 30 CO 0.01 0.05 0.60 0.22 0.37 0.00 0.00 175.52 176.78 3kbq h TYR 31 N 0.28 1.01 0.00 3.16 3.20 -0.85 -0.22 116.97 123.55 3kbq h TYR 31 Ca 0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3kbq h TYR 31 Cb 0.04 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.99 3kbq h TYR 31 CO -0.10 0.40 0.00 0.72 -1.64 0.00 0.00 178.16 177.54 3kbq n HIS 32 N -4.59 0.00 -0.03 -3.82 8.25 -0.95 -4.90 115.22 109.19 3kbq n HIS 32 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3kbq n HIS 32 Cb 0.39 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.50 3kbq n HIS 32 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kbq n GLY 33 N 0.86 0.91 3.78 -1.41 0.00 -0.09 -4.43 105.19 104.80 3kbq n GLY 33 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3kbq n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kbq s TYR 34 N -2.01 3.85 -0.33 1.61 2.02 -0.70 -4.27 117.35 117.52 3kbq s TYR 34 Ca 0.00 1.61 -0.28 0.00 -0.37 0.00 0.00 57.07 58.03 3kbq s TYR 34 Cb 0.00 -2.76 0.02 0.00 -0.40 0.00 0.00 41.96 38.82 3kbq s TYR 34 CO 0.00 0.46 1.04 -0.65 -1.57 0.00 0.00 175.55 174.83 3kbq s GLN 35 N -1.36 4.01 -0.43 -0.62 -1.52 0.29 -4.09 119.66 115.95 3kbq s GLN 35 Ca 0.38 0.95 -0.28 0.00 -1.95 0.00 0.00 55.36 54.46 3kbq s GLN 35 Cb -0.22 -3.75 0.02 0.00 -0.22 0.00 0.00 33.01 28.84 3kbq s GLN 35 CO 0.25 -0.92 1.06 0.08 -0.25 0.00 0.00 175.29 175.52 3kbq s VAL 36 N 3.63 4.36 -0.13 1.09 1.01 -1.26 -0.55 120.40 128.55 3kbq s VAL 36 Ca 0.44 1.26 -0.19 0.00 0.00 0.00 0.00 61.98 63.49 3kbq s VAL 36 Cb -0.12 -4.50 -0.26 0.00 0.00 0.00 0.00 36.38 31.50 3kbq s VAL 36 CO 0.17 -0.81 0.52 -0.09 0.00 0.00 0.00 175.10 174.89 3kbq h ARG 37 N 8.86 0.17 -3.55 2.72 2.43 -0.20 -3.47 114.38 121.33 3kbq h ARG 37 Ca -0.23 -0.29 -0.12 0.00 -0.81 0.00 0.00 59.98 58.54 3kbq h ARG 37 Cb 1.06 0.11 -0.18 0.00 -0.42 0.00 0.00 29.97 30.54 3kbq h ARG 37 CO 1.07 1.14 -0.41 1.03 -1.51 0.00 0.00 179.97 181.29 3kbq s ARG 38 N -2.42 0.66 -0.06 0.20 0.52 -1.25 -5.07 118.95 111.53 3kbq s ARG 38 Ca -0.21 -0.60 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 3kbq s ARG 38 Cb 0.04 0.27 0.01 0.00 0.52 0.00 0.00 34.95 35.79 3kbq s ARG 38 CO 0.72 -0.19 -0.14 0.20 0.02 0.00 0.00 175.30 175.91 3kbq s GLY 39 N -1.98 0.85 -0.08 -3.53 0.00 -1.26 -1.22 107.32 100.10 3kbq s GLY 39 Ca -0.06 -0.53 0.04 0.00 0.00 0.00 0.00 44.72 44.16 3kbq s GLY 39 CO -0.03 -0.07 -0.19 -1.36 0.00 0.00 0.00 173.10 171.45 3kbq s PHE 40 N 0.41 2.62 -0.13 1.90 0.08 -0.53 -4.99 117.98 117.34 3kbq s PHE 40 Ca -0.11 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.42 3kbq s PHE 40 Cb -0.14 -1.68 0.01 0.00 -0.57 0.00 0.00 43.02 40.64 3kbq s PHE 40 CO 0.03 -0.10 -0.19 0.08 -0.10 0.00 0.00 175.22 174.94 3kbq s VAL 41 N -0.17 1.82 0.17 -0.44 1.01 -1.26 -0.55 120.40 120.98 3kbq s VAL 41 Ca -0.02 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3kbq s VAL 41 Cb -0.14 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 3kbq s VAL 41 CO 0.03 0.50 -0.07 0.68 0.00 0.00 0.00 175.10 176.25 3kbq s VAL 42 N 0.89 1.07 0.84 2.92 -7.23 -0.03 -4.97 120.40 113.90 3kbq s VAL 42 Ca -0.07 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 57.95 3kbq s VAL 42 Cb -0.15 -1.98 0.10 0.00 0.56 0.00 0.00 36.38 34.90 3kbq s VAL 42 CO -0.02 -0.63 1.09 -0.04 -0.31 0.00 0.00 175.10 175.20 3kbq s MET 43 N -3.79 1.68 -1.20 4.82 -1.94 -1.26 -1.13 119.30 116.47 3kbq s MET 43 Ca 0.20 0.98 -0.20 0.00 -1.71 0.00 0.00 55.69 54.96 3kbq s MET 43 Cb 0.04 -1.84 -0.03 0.00 2.01 0.00 0.00 34.83 35.01 3kbq s MET 43 CO 0.03 -1.99 1.90 -0.25 -0.01 0.00 0.00 175.02 174.69 3kbq n ASP 44 N -3.74 3.76 -3.67 3.03 8.00 -1.26 -4.54 116.55 118.13 3kbq n ASP 44 Ca 0.08 -2.79 -0.10 0.00 0.71 0.00 0.00 54.79 52.69 3kbq n ASP 44 Cb 0.54 -1.64 -0.10 0.00 -0.02 0.00 0.00 41.12 39.89 3kbq n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kbq s ASP 45 N 5.05 -0.29 0.31 -2.24 3.68 -1.26 -4.89 116.67 117.03 3kbq s ASP 45 Ca 0.59 0.90 0.07 0.00 2.13 0.00 0.00 52.55 56.24 3kbq s ASP 45 Cb 0.05 1.03 0.50 0.00 -1.45 0.00 0.00 42.92 43.05 3kbq s ASP 45 CO 0.09 -0.22 1.72 0.17 0.13 0.00 0.00 175.17 177.06 3kbq h LEU 46 N 7.76 0.23 -0.25 -1.34 8.10 -1.88 -0.83 115.31 127.10 3kbq h LEU 46 Ca -0.24 -0.09 -0.19 0.00 0.11 0.00 0.00 57.88 57.47 3kbq h LEU 46 Cb 1.14 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 41.30 3kbq h LEU 46 CO 0.20 0.60 -0.57 0.44 -4.11 0.00 0.00 178.44 175.00 3kbq h ASP 47 N 0.19 0.93 -0.61 0.17 3.32 -1.95 0.41 116.42 118.88 3kbq h ASP 47 Ca 0.02 -0.56 0.01 0.00 0.02 0.00 0.00 57.03 56.53 3kbq h ASP 47 Cb 0.78 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 3kbq h ASP 47 CO 0.06 1.32 0.39 -0.33 -1.72 0.00 0.00 179.24 178.96 3kbq h GLU 48 N 0.59 0.77 -0.49 3.56 4.39 -1.80 -1.41 114.58 120.19 3kbq h GLU 48 Ca -0.00 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3kbq h GLU 48 Cb 1.18 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 3kbq h GLU 48 CO 0.13 0.51 0.15 0.82 -1.16 0.00 0.00 179.01 179.46 3kbq h ILE 49 N 0.80 1.23 -0.92 3.13 2.04 -1.06 -2.14 117.51 120.59 3kbq h ILE 49 Ca 0.23 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.36 3kbq h ILE 49 Cb -0.06 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 3kbq h ILE 49 CO -0.07 0.28 0.60 1.23 0.00 0.00 0.00 178.15 180.19 3kbq h GLY 50 N 0.65 1.34 0.90 5.37 0.00 -0.79 -1.01 103.07 109.53 3kbq h GLY 50 Ca 0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3kbq h GLY 50 CO -0.00 0.39 0.07 -0.25 0.00 0.00 0.00 176.54 176.75 3kbq h TRP 51 N 1.16 0.53 -0.33 5.60 7.01 -0.92 -1.98 115.95 127.01 3kbq h TRP 51 Ca 0.36 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.29 3kbq h TRP 51 Cb -0.01 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 3kbq h TRP 51 CO -0.01 0.56 0.19 0.00 -2.79 0.00 0.00 178.44 176.38 3kbq h ALA 52 N 0.91 0.42 -0.99 2.65 0.00 -1.03 -1.26 119.26 119.96 3kbq h ALA 52 Ca 0.10 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3kbq h ALA 52 Cb 0.30 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3kbq h ALA 52 CO 0.00 -0.06 0.64 0.74 0.00 0.00 0.00 179.25 180.58 3kbq h PHE 53 N 0.42 1.21 0.14 0.00 0.04 -1.16 0.11 116.94 117.70 3kbq h PHE 53 Ca 0.12 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 3kbq h PHE 53 Cb 0.05 -0.40 0.00 0.00 2.20 0.00 0.00 35.95 37.80 3kbq h PHE 53 CO -0.03 0.69 -0.07 -0.09 -0.60 0.00 0.00 178.31 178.21 3kbq h ARG 54 N 1.24 -0.19 -0.39 1.51 9.65 -0.96 -0.46 114.38 124.79 3kbq h ARG 54 Ca 0.39 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.27 3kbq h ARG 54 Cb 0.01 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 3kbq h ARG 54 CO -0.13 0.06 0.16 0.28 2.80 0.00 0.00 179.97 183.15 3kbq h VAL 55 N -0.42 1.19 -0.53 0.20 2.07 -1.13 -2.51 116.25 115.12 3kbq h VAL 55 Ca -0.02 -0.59 0.09 0.00 0.82 0.00 0.00 66.70 67.00 3kbq h VAL 55 Cb 0.34 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 3kbq h VAL 55 CO 0.03 0.21 0.11 0.00 0.02 0.00 0.00 177.57 177.95 3kbq h ALA 56 N 1.00 0.61 -0.19 1.67 0.00 -0.70 -0.73 119.26 120.92 3kbq h ALA 56 Ca 0.13 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3kbq h ALA 56 Cb 0.18 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kbq h ALA 56 CO -0.01 -0.30 -0.04 -0.07 0.00 0.00 0.00 179.25 178.83 3kbq h LEU 57 N 0.25 0.26 -1.07 0.00 3.38 -0.97 -1.66 115.31 115.50 3kbq h LEU 57 Ca 0.27 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 3kbq h LEU 57 Cb 0.37 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3kbq h LEU 57 CO -0.34 0.34 -0.30 -0.08 0.09 0.00 0.00 178.44 178.14 3kbq h GLU 58 N 0.27 0.29 -0.02 1.13 4.57 -0.69 -3.25 114.58 116.89 3kbq h GLU 58 Ca 0.06 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3kbq h GLU 58 Cb 0.25 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 3kbq h GLU 58 CO 0.01 0.56 -0.02 1.33 -1.18 0.00 0.00 179.01 179.72 3kbq n VAL 59 N -4.11 0.00 -4.15 0.32 0.24 -0.93 -5.02 118.33 104.68 3kbq n VAL 59 Ca -0.01 -0.49 -0.12 0.00 -2.04 0.00 0.00 64.34 61.68 3kbq n VAL 59 Cb 0.41 1.29 -0.08 0.00 -1.47 0.00 0.00 33.84 33.98 3kbq n VAL 59 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3kbq s SER 60 N -1.23 0.24 -0.12 -1.34 1.04 -0.67 -4.82 113.70 106.81 3kbq s SER 60 Ca 0.17 -1.30 0.18 0.00 0.48 0.00 0.00 55.95 55.48 3kbq s SER 60 Cb 0.12 0.46 -0.27 0.00 0.10 0.00 0.00 66.02 66.43 3kbq s SER 60 CO 0.19 -0.96 0.24 0.47 0.98 0.00 0.00 173.24 174.16 3kbq n ASP 61 N -0.46 0.33 -3.97 7.02 8.00 -0.44 -4.71 116.55 122.32 3kbq n ASP 61 Ca 0.01 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.29 3kbq n ASP 61 Cb 0.64 1.40 -0.16 0.00 -0.02 0.00 0.00 41.12 42.98 3kbq n ASP 61 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kbq s LEU 62 N -4.95 1.52 -0.06 0.64 2.96 -0.96 -1.17 118.68 116.65 3kbq s LEU 62 Ca -0.09 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 3kbq s LEU 62 Cb 0.09 -0.66 0.00 0.00 0.50 0.00 0.00 46.19 46.12 3kbq s LEU 62 CO 0.81 -0.00 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.96 3kbq s VAL 63 N 0.75 1.59 -0.10 1.68 1.01 -0.13 -1.63 120.40 123.57 3kbq s VAL 63 Ca -0.13 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3kbq s VAL 63 Cb -0.15 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.85 3kbq s VAL 63 CO 0.02 0.45 -0.20 -0.69 0.00 0.00 0.00 175.10 174.69 3kbq s VAL 64 N 0.25 1.78 0.14 2.92 1.01 -0.67 -0.64 120.40 125.18 3kbq s VAL 64 Ca -0.10 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.14 3kbq s VAL 64 Cb -0.14 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3kbq s VAL 64 CO 0.04 0.50 -0.19 -0.94 0.00 0.00 0.00 175.10 174.51 3kbq s SER 65 N 0.65 3.79 0.05 3.32 1.04 0.34 -0.27 113.70 122.62 3kbq s SER 65 Ca -0.13 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 55.70 3kbq s SER 65 Cb -0.16 -0.48 -0.03 0.00 0.10 0.00 0.00 66.02 65.45 3kbq s SER 65 CO 0.03 0.16 -0.11 -0.94 0.98 0.00 0.00 173.24 173.36 3kbq s SER 66 N -2.32 1.23 0.00 7.02 1.04 -0.44 -0.63 113.70 119.61 3kbq s SER 66 Ca 0.19 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.06 3kbq s SER 66 Cb -0.10 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.01 3kbq s SER 66 CO 0.10 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.80 3kbq n GLY 67 N 1.46 2.24 2.14 7.32 0.00 -0.69 -1.02 105.19 116.65 3kbq n GLY 67 Ca -0.22 -1.84 -0.07 0.00 0.00 0.00 0.00 46.02 43.89 3kbq n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbq n GLY 68 N 1.95 0.11 0.34 -0.02 0.00 -1.25 -4.69 105.19 101.62 3kbq n GLY 68 Ca 0.00 -0.58 0.06 0.00 0.00 0.00 0.00 46.02 45.50 3kbq n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kbq n LEU 69 N -1.05 1.55 0.00 0.99 4.77 -1.26 -2.47 117.00 119.53 3kbq n LEU 69 Ca -0.09 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3kbq n LEU 69 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3kbq n LEU 69 CO 0.10 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3kbq n GLY 70 N 0.94 -1.83 0.40 -0.72 0.00 -1.26 -4.80 105.19 97.92 3kbq n GLY 70 Ca 0.06 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3kbq n GLY 70 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kbq n PRO 71 N -0.80 1.18 -4.00 1.61 -0.04 -1.26 -4.75 135.00 126.94 3kbq n PRO 71 Ca 0.00 -0.17 -0.25 0.00 -0.04 0.00 0.00 63.50 63.05 3kbq n PRO 71 Cb 0.00 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.06 3kbq n PRO 71 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3kbq s THR 72 N -1.40 5.04 -2.05 0.52 -4.23 -1.26 -4.49 115.64 107.76 3kbq s THR 72 Ca 0.03 -0.90 0.30 0.00 -1.18 0.00 0.00 61.69 59.93 3kbq s THR 72 Cb 0.02 -3.63 0.65 0.00 1.34 0.00 0.00 72.50 70.88 3kbq s THR 72 CO 0.01 -0.17 1.95 0.49 -0.54 0.00 0.00 174.62 176.37 3kbq n PHE 73 N -0.72 0.00 0.42 3.99 3.72 -1.26 -2.05 117.46 121.56 3kbq n PHE 73 Ca -0.08 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.45 3kbq n PHE 73 Cb 0.55 -0.06 0.49 0.00 -0.94 0.00 0.00 39.48 39.52 3kbq n PHE 73 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3kbq h ASP 74 N 0.95 0.00 -2.33 4.37 3.32 -1.94 -3.41 116.42 117.38 3kbq h ASP 74 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 3kbq h ASP 74 Cb 0.28 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.68 3kbq h ASP 74 CO 0.00 0.00 0.82 -1.81 -1.72 0.00 0.00 179.24 176.53 3kbq s ASP 75 N -4.41 6.37 0.00 6.45 1.01 -0.87 -4.80 116.67 120.42 3kbq s ASP 75 Ca 0.05 -1.37 0.05 0.00 0.71 0.00 0.00 52.55 51.99 3kbq s ASP 75 Cb 0.10 -2.45 0.08 0.00 1.01 0.00 0.00 42.92 41.66 3kbq s ASP 75 CO 0.43 -1.36 0.88 0.23 0.21 0.00 0.00 175.17 175.57 3kbq n MET 76 N 7.63 1.32 0.03 8.23 2.81 -1.14 -4.80 117.12 131.19 3kbq n MET 76 Ca 0.11 -1.26 -0.10 0.00 -1.81 0.00 0.00 57.70 54.64 3kbq n MET 76 Cb 0.48 -1.10 -0.04 0.00 -0.71 0.00 0.00 33.22 31.85 3kbq n MET 76 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3kbq h THR 77 N 0.87 0.54 -0.70 2.03 2.02 -1.77 0.01 112.91 115.91 3kbq h THR 77 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3kbq h THR 77 Cb 0.40 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 3kbq h THR 77 CO 0.00 0.00 0.31 0.58 0.37 0.00 0.00 175.52 176.78 3kbq h VAL 78 N -0.27 1.24 -0.88 3.16 2.07 -1.87 -0.27 116.25 119.43 3kbq h VAL 78 Ca 0.08 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 3kbq h VAL 78 Cb 0.37 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3kbq h VAL 78 CO -0.22 0.29 0.55 -0.33 0.02 0.00 0.00 177.57 177.88 3kbq h GLU 79 N 0.99 1.19 -0.59 1.57 5.08 -1.85 0.02 114.58 120.99 3kbq h GLU 79 Ca 0.24 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3kbq h GLU 79 Cb 0.17 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3kbq h GLU 79 CO -0.02 0.82 0.09 0.78 -1.00 0.00 0.00 179.01 179.68 3kbq h GLY 80 N 1.21 1.06 0.97 -3.84 0.00 -0.34 -0.50 103.07 101.62 3kbq h GLY 80 Ca 0.32 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3kbq h GLY 80 CO -0.06 0.65 0.24 -2.75 0.00 0.00 0.00 176.54 174.62 3kbq h PHE 81 N 0.88 0.58 -0.72 5.60 3.57 -0.74 -1.39 116.94 124.72 3kbq h PHE 81 Ca 0.18 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3kbq h PHE 81 Cb 0.42 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3kbq h PHE 81 CO 0.03 0.44 0.28 0.00 -2.23 0.00 0.00 178.31 176.83 3kbq h ALA 82 N 1.09 1.14 -0.30 2.41 0.00 -0.66 -1.79 119.26 121.15 3kbq h ALA 82 Ca 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3kbq h ALA 82 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3kbq h ALA 82 CO -0.02 0.62 0.08 -0.22 0.00 0.00 0.00 179.25 179.70 3kbq h LYS 83 N 1.04 0.48 -0.24 0.00 3.64 -0.87 -0.10 116.57 120.52 3kbq h LYS 83 Ca 0.24 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 3kbq h LYS 83 Cb 0.20 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.89 3kbq h LYS 83 CO -0.02 0.54 -0.20 0.00 -2.27 0.00 0.00 179.45 177.51 3kbq n ILE 85 N -5.35 0.00 -2.98 0.00 -5.35 -0.72 -4.94 119.36 100.02 3kbq n ILE 85 Ca -0.01 -0.12 -0.16 0.00 -0.27 0.00 0.00 62.75 62.20 3kbq n ILE 85 Cb 0.26 -0.02 0.04 0.00 -1.74 0.00 0.00 39.64 38.19 3kbq n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kbq n GLY 86 N 1.11 -0.10 3.26 3.28 0.00 -0.18 -5.04 105.19 107.53 3kbq n GLY 86 Ca 0.21 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 3kbq n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kbq s GLN 87 N -5.57 1.74 0.46 1.61 -0.21 -0.44 -5.04 119.66 112.21 3kbq s GLN 87 Ca 0.29 -0.87 -0.22 0.00 0.02 0.00 0.00 55.36 54.58 3kbq s GLN 87 Cb -0.13 -1.74 -0.08 0.00 1.00 0.00 0.00 33.01 32.06 3kbq s GLN 87 CO 0.36 0.47 1.11 -0.51 -2.12 0.00 0.00 175.29 174.60 3kbq s ASP 88 N -0.75 6.25 0.31 5.90 1.01 -1.26 -4.47 116.67 123.67 3kbq s ASP 88 Ca 0.09 2.17 -0.27 0.00 0.71 0.00 0.00 52.55 55.24 3kbq s ASP 88 Cb -0.09 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.16 3kbq s ASP 88 CO 0.00 -0.86 0.98 -0.76 0.21 0.00 0.00 175.17 174.74 3kbq s LEU 89 N -3.15 4.39 0.04 1.23 1.43 -1.26 -4.33 118.68 117.03 3kbq s LEU 89 Ca 0.64 1.94 0.06 0.00 -1.03 0.00 0.00 54.13 55.74 3kbq s LEU 89 Cb -0.24 -3.92 -0.02 0.00 0.03 0.00 0.00 46.19 42.03 3kbq s LEU 89 CO 0.29 -0.10 -0.16 -0.13 0.23 0.00 0.00 176.35 176.48 3kbq s ARG 90 N -1.89 1.07 -0.03 1.70 0.52 0.14 -4.86 118.95 115.59 3kbq s ARG 90 Ca 0.49 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.58 3kbq s ARG 90 Cb -0.22 -1.11 -0.06 0.00 0.52 0.00 0.00 34.95 34.08 3kbq s ARG 90 CO 0.28 0.28 1.65 0.42 0.02 0.00 0.00 175.30 177.95 3kbq s ILE 91 N -0.84 3.50 -0.14 1.52 1.01 -1.26 -0.10 121.20 124.89 3kbq s ILE 91 Ca 0.03 0.67 -0.17 0.00 0.00 0.00 0.00 60.65 61.19 3kbq s ILE 91 Cb -0.08 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 3kbq s ILE 91 CO 0.01 -0.05 0.42 -0.62 0.00 0.00 0.00 174.94 174.71 3kbq s ASP 92 N 3.20 6.58 0.22 3.58 2.15 0.62 -4.93 116.67 128.09 3kbq s ASP 92 Ca 0.74 0.69 -0.04 0.00 0.43 0.00 0.00 52.55 54.37 3kbq s ASP 92 Cb -0.34 -2.25 0.20 0.00 -0.30 0.00 0.00 42.92 40.22 3kbq s ASP 92 CO 0.30 0.01 1.64 -0.08 -0.17 0.00 0.00 175.17 176.87 3kbq h GLU 93 N 6.82 0.78 0.14 4.34 4.81 -1.93 0.13 114.58 129.67 3kbq h GLU 93 Ca -0.40 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.52 3kbq h GLU 93 Cb 1.17 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 3kbq h GLU 93 CO 0.75 0.91 -0.08 -0.44 -0.73 0.00 0.00 179.01 179.43 3kbq h ASP 94 N 0.68 -0.19 -0.76 1.04 3.32 -1.96 0.49 116.42 119.05 3kbq h ASP 94 Ca 0.10 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.20 3kbq h ASP 94 Cb 0.71 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.26 3kbq h ASP 94 CO 0.05 -0.13 0.47 0.00 -1.72 0.00 0.00 179.24 177.91 3kbq h ALA 95 N 0.65 1.01 -0.59 3.45 0.00 -1.82 -1.20 119.26 120.76 3kbq h ALA 95 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kbq h ALA 95 Cb 0.17 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3kbq h ALA 95 CO 0.02 0.23 0.35 1.25 0.00 0.00 0.00 179.25 181.10 3kbq h LEU 96 N 0.89 0.73 -0.58 0.00 5.85 -0.53 0.01 115.31 121.68 3kbq h LEU 96 Ca 0.32 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.97 3kbq h LEU 96 Cb 0.09 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3kbq h LEU 96 CO -0.14 0.59 0.38 0.00 -0.34 0.00 0.00 178.44 178.93 3kbq h ALA 97 N 1.17 0.73 0.05 1.25 0.00 -0.61 -1.39 119.26 120.46 3kbq h ALA 97 Ca 0.21 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3kbq h ALA 97 Cb 0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3kbq h ALA 97 CO -0.04 0.17 -0.33 0.52 0.00 0.00 0.00 179.25 179.57 3kbq h MET 98 N 0.78 -0.49 -0.58 0.00 2.86 -0.39 -2.86 114.93 114.25 3kbq h MET 98 Ca 0.21 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.98 3kbq h MET 98 Cb -0.09 0.11 -0.08 0.00 0.06 0.00 0.00 31.60 31.61 3kbq h MET 98 CO -0.05 -0.33 0.17 0.82 1.06 0.00 0.00 176.91 178.59 3kbq h ILE 99 N -0.51 0.72 -0.63 -1.22 1.08 -0.82 -2.48 117.51 113.65 3kbq h ILE 99 Ca 0.05 -0.11 0.07 0.00 -0.39 0.00 0.00 64.86 64.48 3kbq h ILE 99 Cb 0.58 0.36 -0.06 0.00 -3.07 0.00 0.00 36.82 34.63 3kbq h ILE 99 CO -0.24 0.06 0.31 0.11 -0.69 0.00 0.00 178.15 177.70 3kbq h LYS 100 N 0.33 0.55 0.14 2.37 1.57 -1.06 -2.55 116.57 117.92 3kbq h LYS 100 Ca 0.30 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3kbq h LYS 100 Cb 0.40 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3kbq h LYS 100 CO -0.34 0.36 -0.35 0.87 -0.57 0.00 0.00 179.45 179.42 3kbq h LYS 101 N 0.56 -0.53 -1.59 3.15 1.57 -1.23 0.16 116.57 118.67 3kbq h LYS 101 Ca 0.30 0.04 0.47 0.00 -1.87 0.00 0.00 60.65 59.58 3kbq h LYS 101 Cb 0.26 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.62 3kbq h LYS 101 CO -0.23 -0.35 1.13 0.87 -0.57 0.00 0.00 179.45 180.30 3kbq h LYS 102 N -0.55 0.03 0.00 3.15 1.79 -1.36 -1.86 116.57 117.77 3kbq h LYS 102 Ca -0.01 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3kbq h LYS 102 Cb 0.53 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 3kbq h LYS 102 CO -0.16 0.02 -1.14 0.66 -1.08 0.00 0.00 179.45 177.75 3kbq n TYR 103 N -4.16 0.00 0.00 -1.35 4.02 -0.94 -5.11 117.16 109.62 3kbq n TYR 103 Ca 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.26 3kbq n TYR 103 Cb 1.65 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 40.80 3kbq n TYR 103 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kbq n GLY 104 N 1.55 2.40 0.00 2.72 0.00 0.52 -5.09 105.19 107.29 3kbq n GLY 104 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3kbq n GLY 104 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3kbq n LEU 108 N 0.00 0.00 -4.45 0.99 -0.00 -1.26 -4.88 117.00 107.39 3kbq n LEU 108 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 3kbq n LEU 108 Cb 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 43.42 43.68 3kbq n LEU 108 CO 0.00 0.00 0.51 0.42 -0.00 0.00 0.00 177.39 178.32 3kbq s THR 109 N 0.00 1.55 0.23 1.47 -4.23 -1.26 -4.58 115.64 108.82 3kbq s THR 109 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 3kbq s THR 109 Cb 0.00 -2.23 0.19 0.00 1.34 0.00 0.00 72.50 71.80 3kbq s THR 109 CO 0.00 0.00 1.80 -0.65 -0.54 0.00 0.00 174.62 175.23 3kbq h PRO 110 N -2.90 0.70 0.00 3.99 0.11 -2.00 -0.99 132.00 130.91 3kbq h PRO 110 Ca -0.49 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 3kbq h PRO 110 Cb 1.33 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3kbq h PRO 110 CO 0.37 0.46 -0.25 1.96 -0.21 0.00 0.00 178.00 180.33 3kbq h GLN 111 N 0.72 0.00 0.01 1.05 7.50 -1.92 -0.55 115.11 121.92 3kbq h GLN 111 Ca 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.51 3kbq h GLN 111 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.85 3kbq h GLN 111 CO -0.24 0.25 -0.00 0.00 -1.50 0.00 0.00 178.83 177.34 3kbq h ARG 112 N 0.00 -0.01 -0.95 1.46 3.08 -1.64 -3.29 114.38 113.02 3kbq h ARG 112 Ca -0.00 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.21 3kbq h ARG 112 Cb 0.45 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.42 3kbq h ARG 112 CO 0.03 0.77 0.60 1.25 -1.07 0.00 0.00 179.97 181.55 3kbq h LEU 113 N -0.80 0.70 -1.19 3.04 5.85 -1.04 -1.30 115.31 120.56 3kbq h LEU 113 Ca -0.00 0.06 0.37 0.00 0.84 0.00 0.00 57.88 59.14 3kbq h LEU 113 Cb 0.78 -0.07 -0.14 0.00 0.37 0.00 0.00 40.66 41.60 3kbq h LEU 113 CO 0.00 0.31 0.68 0.50 -0.34 0.00 0.00 178.44 179.59 3kbq h LYS 114 N 0.72 0.21 0.00 1.25 3.64 -1.17 0.12 116.57 121.33 3kbq h LYS 114 Ca 0.50 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 3kbq h LYS 114 Cb 0.82 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3kbq h LYS 114 CO -0.27 0.14 0.00 0.52 -2.27 0.00 0.00 179.45 177.57 3kbq h MET 115 N 0.21 0.00 -0.12 1.90 2.86 -1.38 -1.85 114.93 116.55 3kbq h MET 115 Ca 0.76 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.40 3kbq h MET 115 Cb 2.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.70 3kbq h MET 115 CO -0.52 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.45 3kbq n ALA 116 N -1.81 2.51 -2.63 6.32 0.00 0.03 -4.75 120.51 120.19 3kbq n ALA 116 Ca 0.00 -0.62 -0.40 0.00 0.00 0.00 0.00 53.44 52.42 3kbq n ALA 116 Cb 0.13 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 3kbq n ALA 116 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kbq s LYS 117 N -1.86 4.11 0.05 0.00 1.02 -0.70 -0.28 119.74 122.08 3kbq s LYS 117 Ca 0.34 0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.80 3kbq s LYS 117 Cb 0.20 -3.64 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 3kbq s LYS 117 CO 0.30 -0.37 -0.04 0.96 -0.92 0.00 0.00 175.35 175.28 3kbq s ILE 118 N 2.35 0.32 0.68 2.17 -4.36 0.86 -4.80 121.20 118.44 3kbq s ILE 118 Ca 0.25 -1.49 -0.13 0.00 -0.26 0.00 0.00 60.65 59.01 3kbq s ILE 118 Cb -0.16 -1.09 0.01 0.00 1.25 0.00 0.00 42.46 42.48 3kbq s ILE 118 CO 0.09 -0.76 1.09 -2.16 0.24 0.00 0.00 174.94 173.44 3kbq s PRO 119 N -2.93 2.76 0.19 0.37 0.05 -1.26 -0.69 135.00 133.50 3kbq s PRO 119 Ca -0.01 1.23 0.18 0.00 0.05 0.00 0.00 61.00 62.45 3kbq s PRO 119 Cb 0.00 -1.96 0.83 0.00 0.05 0.00 0.00 34.50 33.42 3kbq s PRO 119 CO -0.05 -1.26 1.54 -0.35 0.05 0.00 0.00 177.00 176.93 3kbq n PRO 120 N -2.76 0.11 0.08 0.56 -0.04 -1.26 -2.57 135.00 129.12 3kbq n PRO 120 Ca 0.09 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 3kbq n PRO 120 Cb 0.53 -1.78 0.46 0.00 -0.04 0.00 0.00 33.50 32.67 3kbq n PRO 120 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3kbq n SER 121 N -2.01 0.59 -4.76 3.54 7.64 -1.26 -4.83 113.62 112.53 3kbq n SER 121 Ca 0.01 0.56 -0.35 0.00 1.01 0.00 0.00 58.87 60.10 3kbq n SER 121 Cb 0.12 -0.72 -0.08 0.00 -1.01 0.00 0.00 64.21 62.52 3kbq n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kbq s ARG 123 N -1.21 4.07 0.35 0.00 0.52 0.90 -4.88 118.95 118.70 3kbq s ARG 123 Ca 0.17 -0.10 -0.23 0.00 -0.52 0.00 0.00 55.73 55.05 3kbq s ARG 123 Cb -0.12 -3.37 -0.10 0.00 0.52 0.00 0.00 34.95 31.88 3kbq s ARG 123 CO 0.07 0.38 0.90 -1.25 0.02 0.00 0.00 175.30 175.42 3kbq s PRO 124 N 0.09 4.38 -0.13 3.54 0.04 -1.26 -1.28 135.00 140.38 3kbq s PRO 124 Ca 0.12 1.15 0.02 0.00 0.04 0.00 0.00 61.00 62.33 3kbq s PRO 124 Cb -0.12 -2.58 0.01 0.00 0.04 0.00 0.00 34.50 31.86 3kbq s PRO 124 CO 0.01 0.18 -0.20 0.42 0.04 0.00 0.00 177.00 177.46 3kbq s ILE 125 N -1.82 1.88 0.41 0.56 -1.09 0.15 -4.95 121.20 116.34 3kbq s ILE 125 Ca 0.53 -0.87 -0.26 0.00 -2.23 0.00 0.00 60.65 57.82 3kbq s ILE 125 Cb -0.15 -1.67 -0.09 0.00 -1.58 0.00 0.00 42.46 38.97 3kbq s ILE 125 CO 0.19 0.51 1.33 -0.70 -1.23 0.00 0.00 174.94 175.04 3kbq s GLU 126 N 0.88 3.96 -0.47 2.79 2.12 -1.26 -1.19 118.70 125.53 3kbq s GLU 126 Ca -0.07 2.21 -0.22 0.00 0.36 0.00 0.00 54.97 57.25 3kbq s GLU 126 Cb -0.15 -2.77 0.03 0.00 0.26 0.00 0.00 34.13 31.50 3kbq s GLU 126 CO -0.02 -0.52 0.76 1.21 -0.54 0.00 0.00 175.26 176.15 3kbq s ASN 127 N -0.67 6.37 0.00 -1.70 3.84 -1.26 -4.78 114.94 116.74 3kbq s ASN 127 Ca 0.57 -0.27 0.22 0.00 0.21 0.00 0.00 52.86 53.59 3kbq s ASN 127 Cb -0.39 -2.37 1.08 0.00 -0.55 0.00 0.00 41.25 39.02 3kbq s ASN 127 CO 0.51 -0.93 1.71 -0.81 -2.79 0.00 0.00 177.10 174.79 3kbq n PRO 128 N 6.67 0.26 -0.02 0.43 -0.04 -1.26 -4.08 135.00 136.95 3kbq n PRO 128 Ca 0.01 0.09 -0.03 0.00 -0.04 0.00 0.00 63.50 63.52 3kbq n PRO 128 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 3kbq n PRO 128 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3kbq n VAL 129 N -1.32 0.22 -1.58 0.52 0.31 -1.26 -5.10 118.33 110.11 3kbq n VAL 129 Ca 0.09 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3kbq n VAL 129 Cb 0.19 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 3kbq n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kbq n GLY 130 N 3.06 5.13 0.25 2.92 0.00 -1.26 -5.05 105.19 110.25 3kbq n GLY 130 Ca -0.07 -1.68 -0.22 0.00 0.00 0.00 0.00 46.02 44.05 3kbq n GLY 130 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kbq n THR 131 N 0.00 1.34 -1.90 2.61 -1.04 -1.26 -4.66 114.28 109.37 3kbq n THR 131 Ca 0.00 -0.24 -0.42 0.00 -2.04 0.00 0.00 64.05 61.35 3kbq n THR 131 Cb 0.00 -1.91 -0.03 0.00 -1.82 0.00 0.00 70.33 66.58 3kbq n THR 131 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kbq s ALA 132 N -2.50 3.62 0.51 2.41 0.00 -1.26 -4.71 121.76 119.82 3kbq s ALA 132 Ca -0.32 1.09 -0.22 0.00 0.00 0.00 0.00 51.96 52.51 3kbq s ALA 132 Cb 0.11 -3.76 -0.06 0.00 0.00 0.00 0.00 23.12 19.41 3kbq s ALA 132 CO 0.41 -1.39 1.27 -2.14 0.00 0.00 0.00 175.76 173.91 3kbq s PRO 133 N 3.89 3.41 0.76 0.00 0.02 -1.26 -4.52 135.00 137.29 3kbq s PRO 133 Ca 0.77 2.01 -0.11 0.00 0.02 0.00 0.00 61.00 63.69 3kbq s PRO 133 Cb -0.37 -2.31 0.05 0.00 0.02 0.00 0.00 34.50 31.89 3kbq s PRO 133 CO 0.33 -0.91 1.08 0.20 -0.33 0.00 0.00 177.00 177.38 3kbq s GLY 134 N -1.16 1.64 -0.03 0.52 0.00 -0.34 -4.80 107.32 103.15 3kbq s GLY 134 Ca 0.68 -0.09 0.06 0.00 0.00 0.00 0.00 44.72 45.37 3kbq s GLY 134 CO 0.41 0.29 -0.21 1.08 0.00 0.00 0.00 173.10 174.67 3kbq s LEU 135 N -5.69 2.01 -0.12 0.66 1.43 -0.31 0.34 118.68 117.00 3kbq s LEU 135 Ca 0.60 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 3kbq s LEU 135 Cb -0.14 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 3kbq s LEU 135 CO 0.55 0.23 -0.15 -0.63 0.23 0.00 0.00 176.35 176.57 3kbq s ILE 136 N -0.27 2.85 0.10 -0.59 1.01 -0.40 -0.53 121.20 123.36 3kbq s ILE 136 Ca 0.02 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 60.01 3kbq s ILE 136 Cb -0.10 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 3kbq s ILE 136 CO 0.01 0.53 -0.18 0.00 0.00 0.00 0.00 174.94 175.31 3kbq s ALA 138 N -1.36 2.89 -0.38 0.00 0.00 -0.84 -0.96 121.76 121.12 3kbq s ALA 138 Ca 0.04 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3kbq s ALA 138 Cb -0.09 -1.55 0.11 0.00 0.00 0.00 0.00 23.12 21.59 3kbq s ALA 138 CO 0.04 0.02 0.13 0.08 0.00 0.00 0.00 175.76 176.03 3kbq s VAL 139 N 0.70 1.79 0.00 0.00 1.01 -0.67 -4.86 120.40 118.37 3kbq s VAL 139 Ca -0.03 -2.28 0.00 0.00 0.00 0.00 0.00 61.98 59.67 3kbq s VAL 139 Cb -0.15 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3kbq s VAL 139 CO 0.02 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.03 3kbq n GLY 140 N 4.11 3.20 0.47 4.51 0.00 -1.26 -1.11 105.19 115.11 3kbq n GLY 140 Ca 0.03 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 45.89 3kbq n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbq n GLY 141 N 0.00 0.17 3.98 -0.02 0.00 -1.26 -4.91 105.19 103.15 3kbq n GLY 141 Ca 0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 3kbq n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kbq s LYS 142 N -1.70 3.08 -0.02 1.61 1.02 -0.27 -5.03 119.74 118.43 3kbq s LYS 142 Ca 0.22 -0.86 0.05 0.00 0.02 0.00 0.00 55.97 55.40 3kbq s LYS 142 Cb 0.11 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.68 3kbq s LYS 142 CO 0.16 -0.06 -0.18 0.15 -0.92 0.00 0.00 175.35 174.50 3kbq s LYS 143 N -4.30 1.49 -0.07 1.68 1.02 -0.32 -1.67 119.74 117.57 3kbq s LYS 143 Ca 0.46 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.86 3kbq s LYS 143 Cb -0.10 -1.41 0.01 0.00 -0.52 0.00 0.00 37.83 35.81 3kbq s LYS 143 CO 0.33 0.36 -0.17 0.08 -0.92 0.00 0.00 175.35 175.04 3kbq s VAL 144 N -0.35 1.45 -0.13 3.17 1.01 -0.13 -0.96 120.40 124.46 3kbq s VAL 144 Ca 0.05 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3kbq s VAL 144 Cb -0.08 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 3kbq s VAL 144 CO -0.00 0.42 -0.19 -0.63 0.00 0.00 0.00 175.10 174.70 3kbq s ILE 145 N 0.40 2.46 -0.20 2.22 1.01 0.18 0.29 121.20 127.55 3kbq s ILE 145 Ca -0.12 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.67 3kbq s ILE 145 Cb -0.15 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3kbq s ILE 145 CO 0.05 0.54 -0.16 -0.63 0.00 0.00 0.00 174.94 174.74 3kbq s ILE 146 N 0.57 2.29 0.15 2.92 1.01 0.31 -0.50 121.20 127.95 3kbq s ILE 146 Ca -0.11 -1.00 0.11 0.00 0.00 0.00 0.00 60.65 59.64 3kbq s ILE 146 Cb -0.16 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3kbq s ILE 146 CO 0.04 0.41 -0.24 -0.76 0.00 0.00 0.00 174.94 174.38 3kbq s LEU 147 N 1.29 2.37 0.88 2.97 1.43 0.20 -1.16 118.68 126.65 3kbq s LEU 147 Ca 0.03 -0.80 -0.10 0.00 -1.03 0.00 0.00 54.13 52.22 3kbq s LEU 147 Cb -0.14 -1.13 0.12 0.00 0.03 0.00 0.00 46.19 45.06 3kbq s LEU 147 CO -0.10 0.13 1.12 -2.84 0.23 0.00 0.00 176.35 174.89 3kbq s PRO 148 N -2.34 1.36 0.24 1.29 0.02 -1.26 -1.70 135.00 132.61 3kbq s PRO 148 Ca 0.16 1.35 0.24 0.00 0.02 0.00 0.00 61.00 62.77 3kbq s PRO 148 Cb -0.09 -1.78 0.39 0.00 0.02 0.00 0.00 34.50 33.04 3kbq s PRO 148 CO 0.07 -2.33 1.46 0.78 -0.33 0.00 0.00 177.00 176.65 3kbq h GLY 149 N -1.64 0.00 -5.11 0.52 0.00 -1.88 -3.31 103.07 91.65 3kbq h GLY 149 Ca -0.44 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.33 3kbq h GLY 149 CO 0.46 0.00 0.96 0.14 0.00 0.00 0.00 176.54 178.10 3kbq s VAL 150 N -3.20 3.84 0.25 4.60 1.01 -1.26 -4.81 120.40 120.82 3kbq s VAL 150 Ca 0.06 1.08 -0.03 0.00 0.00 0.00 0.00 61.98 63.09 3kbq s VAL 150 Cb 0.10 -3.70 0.23 0.00 0.00 0.00 0.00 36.38 33.01 3kbq s VAL 150 CO 0.69 -0.07 1.72 -0.65 0.00 0.00 0.00 175.10 176.79 3kbq h PRO 151 N 8.63 0.39 -0.26 2.72 0.11 -1.99 0.47 132.00 142.08 3kbq h PRO 151 Ca -0.35 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.65 3kbq h PRO 151 Cb 1.15 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3kbq h PRO 151 CO 0.94 0.26 -0.23 0.87 -0.21 0.00 0.00 178.00 179.64 3kbq h LYS 152 N 0.41 0.48 -0.05 1.05 1.79 -1.98 0.69 116.57 118.96 3kbq h LYS 152 Ca 0.43 -0.17 -0.06 0.00 -2.18 0.00 0.00 60.65 58.67 3kbq h LYS 152 Cb 0.69 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 3kbq h LYS 152 CO -0.44 0.68 -0.19 0.93 -1.08 0.00 0.00 179.45 179.35 3kbq h GLU 153 N 0.43 0.22 -0.31 3.15 5.08 -1.38 -2.26 114.58 119.50 3kbq h GLU 153 Ca 0.07 -0.17 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3kbq h GLU 153 Cb 0.63 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 3kbq h GLU 153 CO 0.05 0.81 -0.09 1.98 -1.00 0.00 0.00 179.01 180.75 3kbq h MET 154 N -0.32 -0.02 -0.22 2.33 4.05 -0.82 -0.67 114.93 119.27 3kbq h MET 154 Ca -0.01 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3kbq h MET 154 Cb 0.83 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.63 3kbq h MET 154 CO 0.04 -0.01 0.12 0.93 0.23 0.00 0.00 176.91 178.22 3kbq h GLU 155 N -0.02 0.31 -0.81 0.39 5.08 -0.90 -0.30 114.58 118.34 3kbq h GLU 155 Ca 0.15 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3kbq h GLU 155 Cb 0.25 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3kbq h GLU 155 CO -0.33 0.30 0.53 0.00 -1.00 0.00 0.00 179.01 178.51 3kbq h ALA 156 N 1.00 1.02 -0.18 3.43 0.00 -1.21 -1.67 119.26 121.65 3kbq h ALA 156 Ca 0.08 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3kbq h ALA 156 Cb 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kbq h ALA 156 CO -0.01 0.43 -0.38 1.25 0.00 0.00 0.00 179.25 180.54 3kbq h LEU 157 N 1.09 0.65 -0.42 0.00 7.12 -0.87 -0.87 115.31 122.02 3kbq h LEU 157 Ca 0.30 -0.56 -0.04 0.00 0.13 0.00 0.00 57.88 57.71 3kbq h LEU 157 Cb -0.13 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 39.80 3kbq h LEU 157 CO -0.06 1.08 0.10 0.25 -0.13 0.00 0.00 178.44 179.68 3kbq h LEU 158 N 0.24 0.63 -0.76 2.25 5.85 -0.93 -1.92 115.31 120.67 3kbq h LEU 158 Ca 0.00 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.52 3kbq h LEU 158 Cb 0.98 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 3kbq h LEU 158 CO 0.08 0.70 0.48 0.11 -0.34 0.00 0.00 178.44 179.48 3kbq h LYS 159 N 0.54 0.91 -0.44 1.25 1.57 -1.27 -1.65 116.57 117.48 3kbq h LYS 159 Ca 0.13 -0.05 0.13 0.00 -1.87 0.00 0.00 60.65 58.98 3kbq h LYS 159 Cb 0.32 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3kbq h LYS 159 CO 0.00 0.60 0.41 0.00 -0.57 0.00 0.00 179.45 179.89 3kbq h ALA 160 N 1.32 2.22 -0.64 3.86 0.00 -0.61 -2.42 119.26 122.99 3kbq h ALA 160 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3kbq h ALA 160 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kbq h ALA 160 CO -0.11 -0.64 0.00 -1.33 0.00 0.00 0.00 179.25 177.17 3kbq n MET 161 N -3.92 3.99 -0.19 0.00 2.81 -0.63 -4.67 117.12 114.51 3kbq n MET 161 Ca 0.08 -2.96 -0.02 0.00 -1.81 0.00 0.00 57.70 52.98 3kbq n MET 161 Cb 0.60 -1.98 0.08 0.00 -0.71 0.00 0.00 33.22 31.21 3kbq n MET 161 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3kbq h GLU 162 N 4.12 0.48 0.00 0.03 4.81 -1.35 -1.31 114.58 121.35 3kbq h GLU 162 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3kbq h GLU 162 Cb 1.57 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.84 3kbq h GLU 162 CO 0.29 0.31 -0.00 0.87 -0.73 0.00 0.00 179.01 179.75 3kbq h LYS 163 N 0.49 0.00 0.00 1.92 1.57 -1.86 0.18 116.57 118.87 3kbq h LYS 163 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3kbq h LYS 163 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3kbq h LYS 163 CO -0.21 0.00 0.00 -0.44 -0.57 0.00 0.00 179.45 178.23 3kbq h ASP 164 N 0.00 0.00 0.07 0.86 3.32 -1.60 -3.34 116.42 115.74 3kbq h ASP 164 Ca -0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 3kbq h ASP 164 Cb 0.17 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.67 3kbq h ASP 164 CO 0.00 0.00 -2.29 -0.38 -1.72 0.00 0.00 179.24 174.85 3kbq n ILE 165 N -2.77 1.53 -1.68 0.35 2.08 0.47 -4.99 119.36 114.36 3kbq n ILE 165 Ca 0.04 -0.68 -0.45 0.00 0.56 0.00 0.00 62.75 62.22 3kbq n ILE 165 Cb 0.48 -1.20 -0.04 0.00 -0.75 0.00 0.00 39.64 38.13 3kbq n ILE 165 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3kbq n ILE 166 N -3.15 0.47 1.51 1.39 5.41 -0.31 -5.06 119.36 119.61 3kbq n ILE 166 Ca -0.37 -0.08 0.14 0.00 1.00 0.00 0.00 62.75 63.44 3kbq n ILE 166 Cb 1.05 -1.97 0.53 0.00 -0.71 0.00 0.00 39.64 38.54 3kbq n ILE 166 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17