#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcq n GLU 4 N 0.00 0.51 -2.61 -1.58 1.02 -1.19 -4.79 120.64 112.01 3kcq n GLU 4 Ca 0.00 0.21 -0.43 0.00 -0.02 0.00 0.00 57.16 56.92 3kcq n GLU 4 Cb 0.00 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 3kcq n GLU 4 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3kcq s LEU 5 N -7.18 3.96 -0.19 -4.62 2.96 -0.62 -4.95 118.68 108.05 3kcq s LEU 5 Ca -0.33 1.13 -0.13 0.00 -0.22 0.00 0.00 54.13 54.57 3kcq s LEU 5 Cb 0.12 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.22 3kcq s LEU 5 CO 0.43 -0.87 0.28 -0.13 -1.32 0.00 0.00 176.35 174.75 3kcq s ARG 6 N 3.64 4.21 0.00 1.98 0.52 -1.26 -0.96 118.95 127.07 3kcq s ARG 6 Ca 0.47 0.03 0.07 0.00 -0.52 0.00 0.00 55.73 55.78 3kcq s ARG 6 Cb -0.13 -3.47 -0.02 0.00 0.52 0.00 0.00 34.95 31.85 3kcq s ARG 6 CO 0.15 0.15 -0.23 0.08 0.02 0.00 0.00 175.30 175.47 3kcq s VAL 7 N 0.75 1.84 -0.15 3.52 1.01 -0.59 0.01 120.40 126.79 3kcq s VAL 7 Ca 0.15 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3kcq s VAL 7 Cb -0.13 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 3kcq s VAL 7 CO 0.04 0.43 -0.16 -0.83 0.00 0.00 0.00 175.10 174.59 3kcq s GLY 8 N -0.77 1.47 -0.23 4.51 0.00 -0.50 -0.99 107.32 110.81 3kcq s GLY 8 Ca 0.09 -1.04 -0.08 0.00 0.00 0.00 0.00 44.72 43.70 3kcq s GLY 8 CO 0.00 0.01 0.08 0.14 0.00 0.00 0.00 173.10 173.33 3kcq s VAL 9 N 0.78 4.58 -0.13 1.40 1.01 -0.93 -0.11 120.40 127.01 3kcq s VAL 9 Ca -0.06 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 3kcq s VAL 9 Cb -0.15 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 3kcq s VAL 9 CO 0.00 0.38 0.24 -0.76 0.00 0.00 0.00 175.10 174.96 3kcq s LEU 10 N 1.15 4.32 0.09 3.92 1.02 -0.55 -1.44 118.68 127.20 3kcq s LEU 10 Ca 0.05 0.52 -0.05 0.00 0.02 0.00 0.00 54.13 54.67 3kcq s LEU 10 Cb -0.14 -2.27 -0.02 0.00 0.02 0.00 0.00 46.19 43.77 3kcq s LEU 10 CO 0.04 0.24 0.11 0.27 0.02 0.00 0.00 176.35 177.02 3kcq s ILE 11 N -0.23 0.15 0.00 -0.59 -4.36 -0.50 -0.85 121.20 114.82 3kcq s ILE 11 Ca 0.16 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 3kcq s ILE 11 Cb -0.13 -1.61 0.00 0.00 1.25 0.00 0.00 42.46 41.97 3kcq s ILE 11 CO 0.04 -0.68 0.00 -1.20 0.24 0.00 0.00 174.94 173.34 3kcq n SER 12 N -0.03 0.52 0.00 4.36 7.64 -1.08 -3.21 113.62 121.82 3kcq n SER 12 Ca -0.12 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.71 3kcq n SER 12 Cb 0.62 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 3kcq n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcq n GLY 13 N 0.37 3.71 0.19 0.23 0.00 -1.26 -4.56 105.19 103.87 3kcq n GLY 13 Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.61 3kcq n GLY 13 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kcq h ARG 14 N 0.00 0.00 -1.04 1.61 3.08 -1.92 -1.68 114.38 114.43 3kcq h ARG 14 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3kcq h ARG 14 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3kcq h ARG 14 CO 0.00 0.38 -0.06 0.41 -1.07 0.00 0.00 179.97 179.63 3kcq n GLY 15 N 0.11 0.62 0.20 0.04 0.00 -1.26 -1.80 105.19 103.11 3kcq n GLY 15 Ca -0.01 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 3kcq n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kcq h SER 16 N -0.17 0.85 -0.90 1.61 4.64 -1.92 0.22 113.55 117.88 3kcq h SER 16 Ca -0.05 -0.68 -0.02 0.00 -0.47 0.00 0.00 61.79 60.57 3kcq h SER 16 Cb 1.04 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.83 3kcq h SER 16 CO 0.06 1.40 0.50 0.78 -0.87 0.00 0.00 176.83 178.70 3kcq h ASN 17 N 0.38 1.13 -0.46 4.97 2.35 -1.93 -1.27 115.58 120.73 3kcq h ASN 17 Ca -0.08 -0.10 0.05 0.00 -0.55 0.00 0.00 56.30 55.63 3kcq h ASN 17 Cb 1.45 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 39.49 3kcq h ASN 17 CO 0.16 0.90 0.20 0.25 -1.65 0.00 0.00 177.43 177.29 3kcq h LEU 18 N 1.27 0.24 -0.97 1.61 5.85 -1.83 -1.10 115.31 120.38 3kcq h LEU 18 Ca 0.32 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.12 3kcq h LEU 18 Cb 0.02 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3kcq h LEU 18 CO -0.05 0.18 0.63 -0.08 -0.34 0.00 0.00 178.44 178.77 3kcq h GLU 19 N 0.39 1.19 -0.43 1.25 4.81 -0.71 0.24 114.58 121.31 3kcq h GLU 19 Ca 0.21 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 3kcq h GLU 19 Cb 0.17 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3kcq h GLU 19 CO -0.19 0.79 -0.20 0.00 -0.73 0.00 0.00 179.01 178.68 3kcq h ALA 20 N 1.39 0.84 0.43 2.92 0.00 -0.70 -1.34 119.26 122.81 3kcq h ALA 20 Ca 0.38 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3kcq h ALA 20 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kcq h ALA 20 CO -0.12 0.64 -0.21 -0.07 0.00 0.00 0.00 179.25 179.49 3kcq h LEU 21 N 0.74 -0.49 -0.60 0.00 3.38 -0.86 -1.29 115.31 116.19 3kcq h LEU 21 Ca 0.11 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.08 3kcq h LEU 21 Cb 0.72 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 3kcq h LEU 21 CO 0.06 -0.19 0.24 0.00 0.09 0.00 0.00 178.44 178.64 3kcq h ALA 22 N -0.35 0.78 -0.49 1.53 0.00 -0.94 -0.03 119.26 119.76 3kcq h ALA 22 Ca -0.06 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3kcq h ALA 22 Cb 0.55 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3kcq h ALA 22 CO 0.10 -0.16 0.20 -0.22 0.00 0.00 0.00 179.25 179.16 3kcq h LYS 23 N 0.44 0.73 -0.99 0.00 3.64 -1.27 -2.45 116.57 116.68 3kcq h LYS 23 Ca 0.30 -0.13 0.09 0.00 -1.27 0.00 0.00 60.65 59.63 3kcq h LYS 23 Cb 0.34 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 3kcq h LYS 23 CO -0.28 0.65 0.63 0.00 -2.27 0.00 0.00 179.45 178.19 3kcq h ALA 24 N 1.04 1.47 -1.13 5.00 0.00 -0.12 -3.30 119.26 122.23 3kcq h ALA 24 Ca 0.16 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.40 3kcq h ALA 24 Cb 0.19 -0.27 -0.34 0.00 0.00 0.00 0.00 17.79 17.37 3kcq h ALA 24 CO -0.01 0.35 0.20 1.19 0.00 0.00 0.00 179.25 180.98 3kcq n PHE 25 N -4.54 3.13 -3.09 0.00 0.99 -0.13 -5.01 117.46 108.82 3kcq n PHE 25 Ca 0.16 -2.68 -0.17 0.00 -0.00 0.00 0.00 57.45 54.77 3kcq n PHE 25 Cb 0.25 -0.77 -0.02 0.00 -1.00 0.00 0.00 39.48 37.94 3kcq n PHE 25 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3kcq n SER 26 N -0.61 1.08 0.00 4.37 3.41 -1.20 -4.81 113.62 115.86 3kcq n SER 26 Ca 0.49 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 3kcq n SER 26 Cb 0.54 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3kcq n SER 26 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3kcq n SER 30 N 0.20 0.00 -1.04 4.04 2.88 -1.26 -5.12 113.62 113.32 3kcq n SER 30 Ca 0.23 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.84 3kcq n SER 30 Cb 0.68 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.39 3kcq n SER 30 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3kcq n SER 31 N 0.00 3.85 -4.25 -3.46 3.41 -1.26 -4.69 113.62 107.21 3kcq n SER 31 Ca 0.00 -2.47 -0.30 0.00 -0.26 0.00 0.00 58.87 55.84 3kcq n SER 31 Cb 0.00 -0.45 -0.16 0.00 -0.26 0.00 0.00 64.21 63.34 3kcq n SER 31 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kcq s VAL 32 N -1.85 1.92 -0.07 -3.33 1.01 -1.26 -1.58 120.40 115.23 3kcq s VAL 32 Ca 0.39 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3kcq s VAL 32 Cb 0.26 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 35.04 3kcq s VAL 32 CO 0.17 0.54 -0.13 -0.69 0.00 0.00 0.00 175.10 174.99 3kcq s VAL 33 N -0.28 1.21 -0.43 2.92 1.01 -0.14 -4.83 120.40 119.86 3kcq s VAL 33 Ca 0.01 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 3kcq s VAL 33 Cb -0.12 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3kcq s VAL 33 CO 0.02 0.37 0.85 -0.63 0.00 0.00 0.00 175.10 175.71 3kcq s ILE 34 N 0.73 4.59 -0.32 2.22 1.01 -1.26 -1.54 121.20 126.62 3kcq s ILE 34 Ca -0.13 0.71 0.23 0.00 0.00 0.00 0.00 60.65 61.45 3kcq s ILE 34 Cb -0.16 -4.34 0.02 0.00 0.01 0.00 0.00 42.46 37.99 3kcq s ILE 34 CO 0.03 -0.69 1.11 0.77 0.00 0.00 0.00 174.94 176.17 3kcq h SER 35 N 8.87 0.00 -4.00 3.58 4.64 -1.40 -3.47 113.55 121.77 3kcq h SER 35 Ca -0.24 -0.05 0.15 0.00 -0.47 0.00 0.00 61.79 61.18 3kcq h SER 35 Cb 1.08 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.95 3kcq h SER 35 CO 0.98 0.02 0.68 0.00 -0.87 0.00 0.00 176.83 177.64 3kcq s VAL 37 N -1.62 1.13 -0.08 0.00 1.01 -0.25 -2.18 120.40 118.41 3kcq s VAL 37 Ca 0.04 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3kcq s VAL 37 Cb -0.01 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 3kcq s VAL 37 CO -0.03 0.36 -0.21 -0.63 0.00 0.00 0.00 175.10 174.58 3kcq s ILE 38 N 0.73 2.35 0.07 2.22 1.01 -0.52 -1.63 121.20 125.43 3kcq s ILE 38 Ca -0.13 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 59.65 3kcq s ILE 38 Cb -0.16 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 3kcq s ILE 38 CO 0.03 0.56 -0.21 -0.55 0.00 0.00 0.00 174.94 174.77 3kcq s SER 39 N 0.03 2.52 -0.00 3.58 0.15 -0.31 -1.41 113.70 118.25 3kcq s SER 39 Ca -0.08 -0.60 0.19 0.00 0.70 0.00 0.00 55.95 56.16 3kcq s SER 39 Cb -0.15 -0.18 0.54 0.00 -1.71 0.00 0.00 66.02 64.52 3kcq s SER 39 CO 0.05 0.12 1.45 -0.46 1.20 0.00 0.00 173.24 175.60 3kcq n ASN 40 N 1.51 3.29 -3.74 5.45 6.94 -1.20 -1.15 115.26 126.36 3kcq n ASN 40 Ca -0.18 -2.01 -0.15 0.00 -0.02 0.00 0.00 54.58 52.21 3kcq n ASN 40 Cb 0.53 -0.41 -0.16 0.00 -2.36 0.00 0.00 39.78 37.38 3kcq n ASN 40 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3kcq s ASN 41 N -0.99 0.21 0.33 0.53 2.47 -1.26 -4.47 114.94 111.75 3kcq s ASN 41 Ca 0.41 0.14 0.26 0.00 0.42 0.00 0.00 52.86 54.09 3kcq s ASN 41 Cb 0.21 0.02 1.03 0.00 -1.45 0.00 0.00 41.25 41.06 3kcq s ASN 41 CO 0.27 -0.16 1.78 0.00 -3.72 0.00 0.00 177.10 175.28 3kcq h ALA 42 N 7.51 1.00 -0.13 1.71 0.00 -1.92 -3.06 119.26 124.37 3kcq h ALA 42 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3kcq h ALA 42 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3kcq h ALA 42 CO 0.40 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.74 3kcq n GLU 43 N -2.49 2.14 -2.08 0.00 4.07 -1.26 -5.00 120.64 116.02 3kcq n GLU 43 Ca 0.02 -2.62 -0.42 0.00 -0.06 0.00 0.00 57.16 54.08 3kcq n GLU 43 Cb 0.29 -1.61 -0.03 0.00 -0.06 0.00 0.00 31.44 30.02 3kcq n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kcq s ALA 44 N -2.69 3.63 0.39 4.31 0.00 -1.16 -4.90 121.76 121.34 3kcq s ALA 44 Ca 0.34 0.92 0.13 0.00 0.00 0.00 0.00 51.96 53.35 3kcq s ALA 44 Cb 0.29 -3.69 0.79 0.00 0.00 0.00 0.00 23.12 20.50 3kcq s ALA 44 CO 0.06 -1.22 1.87 -0.09 0.00 0.00 0.00 175.76 176.38 3kcq h ARG 45 N 8.82 0.01 -0.11 0.00 1.12 -1.76 -1.81 114.38 120.65 3kcq h ARG 45 Ca -0.38 -0.00 0.03 0.00 -1.11 0.00 0.00 59.98 58.52 3kcq h ARG 45 Cb 1.17 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.13 3kcq h ARG 45 CO 0.94 0.33 0.32 0.78 -3.11 0.00 0.00 179.97 179.23 3kcq h GLY 46 N 0.96 0.00 0.99 2.80 0.00 -0.50 0.78 103.07 108.10 3kcq h GLY 46 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3kcq h GLY 46 CO 0.04 0.00 0.51 1.41 0.00 0.00 0.00 176.54 178.50 3kcq h LEU 47 N 0.00 0.87 -0.65 3.11 3.38 -1.57 -1.82 115.31 118.63 3kcq h LEU 47 Ca 0.05 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3kcq h LEU 47 Cb 0.70 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3kcq h LEU 47 CO -0.00 0.63 -0.33 -0.07 0.09 0.00 0.00 178.44 178.76 3kcq h LEU 48 N 1.03 0.72 0.15 1.67 3.38 -1.02 -2.47 115.31 118.78 3kcq h LEU 48 Ca 0.29 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kcq h LEU 48 Cb -0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3kcq h LEU 48 CO -0.07 1.00 -0.15 0.40 0.09 0.00 0.00 178.44 179.71 3kcq h ILE 49 N 0.58 0.67 -0.72 1.22 1.08 -1.38 -1.13 117.51 117.82 3kcq h ILE 49 Ca 0.06 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.66 3kcq h ILE 49 Cb 0.85 0.67 -0.09 0.00 -3.07 0.00 0.00 36.82 35.18 3kcq h ILE 49 CO 0.07 0.00 0.28 0.00 -0.69 0.00 0.00 178.15 177.81 3kcq h ALA 50 N 0.49 0.99 -0.09 1.87 0.00 -1.18 -1.86 119.26 119.48 3kcq h ALA 50 Ca 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3kcq h ALA 50 Cb 0.31 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kcq h ALA 50 CO -0.04 -0.20 -0.56 1.96 0.00 0.00 0.00 179.25 180.41 3kcq h GLN 51 N 0.44 0.29 0.00 0.00 4.20 -1.17 -1.16 115.11 117.71 3kcq h GLN 51 Ca 0.39 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 3kcq h GLN 51 Cb 0.56 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 3kcq h GLN 51 CO -0.38 0.77 -0.03 0.66 -0.67 0.00 0.00 178.83 179.18 3kcq h SER 52 N 0.22 0.00 -0.32 1.46 4.64 -0.37 0.66 113.55 119.85 3kcq h SER 52 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kcq h SER 52 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3kcq h SER 52 CO 0.09 0.03 0.00 -1.22 -0.87 0.00 0.00 176.83 174.86 3kcq n TYR 53 N -4.02 0.41 -1.22 4.77 4.01 -0.92 -4.95 117.16 115.24 3kcq n TYR 53 Ca -0.03 -0.21 -0.08 0.00 -0.16 0.00 0.00 57.90 57.43 3kcq n TYR 53 Cb 0.12 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.11 3kcq n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kcq n GLY 54 N 1.32 0.96 3.70 2.72 0.00 0.23 -5.01 105.19 109.11 3kcq n GLY 54 Ca 0.18 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 3kcq n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kcq s ILE 55 N -2.26 5.04 0.32 -0.61 1.01 -0.48 -5.00 121.20 119.23 3kcq s ILE 55 Ca 0.00 1.36 -0.29 0.00 0.00 0.00 0.00 60.65 61.72 3kcq s ILE 55 Cb 0.00 -4.01 -0.10 0.00 0.01 0.00 0.00 42.46 38.36 3kcq s ILE 55 CO 0.00 0.21 1.29 -2.16 0.00 0.00 0.00 174.94 174.28 3kcq s PRO 56 N 1.10 4.39 0.12 2.79 0.04 -1.26 -4.08 135.00 138.09 3kcq s PRO 56 Ca 0.35 2.17 0.10 0.00 0.04 0.00 0.00 61.00 63.65 3kcq s PRO 56 Cb -0.17 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 3kcq s PRO 56 CO 0.15 -0.15 -0.23 0.95 0.04 0.00 0.00 177.00 177.76 3kcq s THR 57 N -1.09 1.97 -0.03 1.26 -4.23 -1.26 -1.09 115.64 111.17 3kcq s THR 57 Ca 0.49 -1.69 -0.03 0.00 -1.18 0.00 0.00 61.69 59.28 3kcq s THR 57 Cb -0.39 -1.79 0.01 0.00 1.34 0.00 0.00 72.50 71.67 3kcq s THR 57 CO 0.51 -0.03 0.09 -0.36 -0.54 0.00 0.00 174.62 174.29 3kcq s PHE 58 N -1.23 -0.07 -0.06 3.99 0.08 -0.64 -4.98 117.98 115.07 3kcq s PHE 58 Ca 0.11 0.18 0.04 0.00 0.12 0.00 0.00 56.93 57.38 3kcq s PHE 58 Cb -0.10 0.02 -0.02 0.00 -0.57 0.00 0.00 43.02 42.35 3kcq s PHE 58 CO 0.05 -0.07 -0.17 0.08 -0.10 0.00 0.00 175.22 175.02 3kcq s VAL 59 N -0.10 2.78 0.09 -0.44 1.01 -1.26 -1.17 120.40 121.31 3kcq s VAL 59 Ca -0.02 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.22 3kcq s VAL 59 Cb -0.01 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3kcq s VAL 59 CO 0.00 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 174.80 3kcq s VAL 60 N -0.44 1.49 0.46 2.92 1.01 -0.30 -4.97 120.40 120.58 3kcq s VAL 60 Ca 0.05 -1.45 -0.24 0.00 0.00 0.00 0.00 61.98 60.33 3kcq s VAL 60 Cb -0.12 -1.38 -0.07 0.00 0.00 0.00 0.00 36.38 34.81 3kcq s VAL 60 CO 0.02 -0.12 1.35 -0.75 0.00 0.00 0.00 175.10 175.60 3kcq s LYS 61 N -1.84 3.63 -0.23 2.72 2.20 -1.26 -4.47 119.74 120.49 3kcq s LYS 61 Ca 0.03 2.24 -0.16 0.00 -0.36 0.00 0.00 55.97 57.72 3kcq s LYS 61 Cb -0.10 -2.56 -0.11 0.00 -1.51 0.00 0.00 37.83 33.55 3kcq s LYS 61 CO 0.03 -0.80 -0.23 -2.13 -0.36 0.00 0.00 175.35 171.87 3kcq n ARG 62 N -0.34 0.56 -3.73 4.03 0.63 -1.26 -2.33 116.66 114.21 3kcq n ARG 62 Ca 0.06 0.33 -0.30 0.00 -0.92 0.00 0.00 57.85 57.03 3kcq n ARG 62 Cb 0.44 -1.54 -0.15 0.00 0.45 0.00 0.00 32.46 31.66 3kcq n ARG 62 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3kcq s LYS 63 N -2.54 0.83 0.41 -0.14 1.02 -1.26 -1.46 119.74 116.60 3kcq s LYS 63 Ca -0.33 -1.26 -0.23 0.00 0.02 0.00 0.00 55.97 54.17 3kcq s LYS 63 Cb 0.10 -2.07 -0.10 0.00 -0.52 0.00 0.00 37.83 35.24 3kcq s LYS 63 CO 0.48 -1.02 1.00 -1.25 -0.92 0.00 0.00 175.35 173.63 3kcq s PRO 64 N 1.37 4.19 0.01 -1.68 0.04 -1.26 -5.11 135.00 132.56 3kcq s PRO 64 Ca 0.11 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 3kcq s PRO 64 Cb -0.19 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 31.91 3kcq s PRO 64 CO -0.20 -0.08 1.53 -1.17 0.04 0.00 0.00 177.00 177.12 3kcq s LEU 65 N -2.87 4.33 -1.26 -3.56 2.96 -0.53 -4.82 118.68 112.93 3kcq s LEU 65 Ca 0.60 2.25 -0.17 0.00 -0.22 0.00 0.00 54.13 56.59 3kcq s LEU 65 Cb -0.16 -3.56 0.10 0.00 0.50 0.00 0.00 46.19 43.08 3kcq s LEU 65 CO 0.21 -0.82 1.62 -0.62 -1.32 0.00 0.00 176.35 175.42 3kcq s ASP 66 N 2.32 6.91 0.52 3.68 -1.08 -0.99 -4.81 116.67 123.22 3kcq s ASP 66 Ca 0.69 -2.60 0.31 0.00 -0.52 0.00 0.00 52.55 50.42 3kcq s ASP 66 Cb -0.34 -2.52 1.29 0.00 -1.46 0.00 0.00 42.92 39.89 3kcq s ASP 66 CO 0.29 -1.03 1.96 0.16 0.52 0.00 0.00 175.17 177.07 3kcq h ILE 67 N 5.30 0.22 0.01 4.11 3.07 -1.90 -2.93 117.51 125.38 3kcq h ILE 67 Ca 0.39 -0.68 -0.27 0.00 1.55 0.00 0.00 64.86 65.86 3kcq h ILE 67 Cb 0.88 1.55 0.02 0.00 -0.27 0.00 0.00 36.82 39.00 3kcq h ILE 67 CO 1.38 0.08 -1.06 -0.33 -1.05 0.00 0.00 178.15 177.17 3kcq h GLU 68 N 0.00 0.70 -0.13 0.16 4.39 -1.98 0.13 114.58 117.86 3kcq h GLU 68 Ca -0.00 -0.77 0.04 0.00 0.34 0.00 0.00 59.36 58.97 3kcq h GLU 68 Cb 0.54 0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 29.37 3kcq h GLU 68 CO 0.01 1.34 -0.17 1.25 -1.16 0.00 0.00 179.01 180.28 3kcq h HIS 69 N 0.39 -0.43 0.01 4.33 2.76 -1.97 0.26 115.15 120.50 3kcq h HIS 69 Ca -0.13 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.08 3kcq h HIS 69 Cb 1.71 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 30.85 3kcq h HIS 69 CO 0.10 -0.24 -0.17 0.82 -1.30 0.00 0.00 177.93 177.14 3kcq h ILE 70 N -0.21 0.59 -0.84 6.26 2.04 -1.43 -0.67 117.51 123.24 3kcq h ILE 70 Ca 0.10 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.06 3kcq h ILE 70 Cb 0.35 0.59 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 3kcq h ILE 70 CO -0.25 0.00 0.47 0.28 0.00 0.00 0.00 178.15 178.65 3kcq h SER 71 N -0.29 0.65 0.92 1.72 0.02 -0.54 -2.01 113.55 114.03 3kcq h SER 71 Ca 0.05 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3kcq h SER 71 Cb 0.35 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.83 3kcq h SER 71 CO -0.15 0.35 -0.44 0.74 -1.14 0.00 0.00 176.83 176.18 3kcq h THR 72 N 0.76 0.00 -0.80 -2.27 2.02 0.20 -1.65 112.91 111.17 3kcq h THR 72 Ca 0.42 -0.02 0.19 0.00 0.77 0.00 0.00 66.41 67.77 3kcq h THR 72 Cb 0.44 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.72 3kcq h THR 72 CO -0.28 0.00 0.12 0.58 0.37 0.00 0.00 175.52 176.31 3kcq h VAL 73 N -1.25 0.36 0.09 3.16 2.07 -1.08 0.19 116.25 119.79 3kcq h VAL 73 Ca -0.13 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3kcq h VAL 73 Cb 0.95 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3kcq h VAL 73 CO 0.21 0.03 -0.05 -0.07 0.02 0.00 0.00 177.57 177.71 3kcq h LEU 74 N 0.17 -0.11 -0.92 2.57 3.38 -1.24 -1.53 115.31 117.64 3kcq h LEU 74 Ca 0.46 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.36 3kcq h LEU 74 Cb 0.86 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 3kcq h LEU 74 CO -0.63 0.03 0.60 0.03 0.09 0.00 0.00 178.44 178.56 3kcq h ARG 75 N -0.24 1.17 0.00 1.13 2.47 -0.90 -2.55 114.38 115.46 3kcq h ARG 75 Ca -0.01 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.59 3kcq h ARG 75 Cb 0.20 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 3kcq h ARG 75 CO 0.02 0.77 -0.21 0.93 0.56 0.00 0.00 179.97 182.05 3kcq h GLU 76 N 1.20 0.00 -0.58 0.04 5.08 -0.73 -2.23 114.58 117.37 3kcq h GLU 76 Ca 0.35 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.60 3kcq h GLU 76 Cb -0.07 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.11 3kcq h GLU 76 CO -0.10 0.21 0.12 0.72 -1.00 0.00 0.00 179.01 178.96 3kcq n HIS 77 N -3.84 1.98 -4.04 4.33 8.25 -0.60 -4.97 115.22 116.33 3kcq n HIS 77 Ca -0.02 -1.03 -0.29 0.00 -0.26 0.00 0.00 57.72 56.12 3kcq n HIS 77 Cb 0.30 -0.56 -0.02 0.00 1.12 0.00 0.00 29.99 30.84 3kcq n HIS 77 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kcq n ASP 78 N -0.06 -1.67 -4.74 0.41 8.00 -0.84 -4.87 116.55 112.79 3kcq n ASP 78 Ca 0.33 -0.99 -0.41 0.00 0.71 0.00 0.00 54.79 54.43 3kcq n ASP 78 Cb 1.22 -3.02 -0.03 0.00 -0.02 0.00 0.00 41.12 39.27 3kcq n ASP 78 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kcq s VAL 79 N -3.69 3.40 -0.14 2.53 1.01 -1.00 -4.71 120.40 117.81 3kcq s VAL 79 Ca 0.30 1.15 0.16 0.00 0.00 0.00 0.00 61.98 63.59 3kcq s VAL 79 Cb -0.16 -3.74 -0.24 0.00 0.00 0.00 0.00 36.38 32.24 3kcq s VAL 79 CO 0.90 0.17 0.28 0.47 0.00 0.00 0.00 175.10 176.92 3kcq n ASP 80 N 2.67 0.35 -3.75 3.32 8.00 0.10 -4.93 116.55 122.31 3kcq n ASP 80 Ca 0.06 0.15 -0.15 0.00 0.71 0.00 0.00 54.79 55.55 3kcq n ASP 80 Cb 0.44 0.59 -0.16 0.00 -0.02 0.00 0.00 41.12 41.97 3kcq n ASP 80 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kcq s LEU 81 N -5.73 0.91 -0.29 0.64 2.96 -0.72 -4.87 118.68 111.58 3kcq s LEU 81 Ca -0.08 0.08 -0.13 0.00 -0.22 0.00 0.00 54.13 53.77 3kcq s LEU 81 Cb 0.07 -0.03 -0.04 0.00 0.50 0.00 0.00 46.19 46.69 3kcq s LEU 81 CO 0.83 -0.15 0.28 -0.69 -1.32 0.00 0.00 176.35 175.30 3kcq s VAL 82 N 1.24 5.24 -0.26 1.68 1.01 -0.08 -1.41 120.40 127.82 3kcq s VAL 82 Ca -0.07 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 3kcq s VAL 82 Cb -0.13 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3kcq s VAL 82 CO -0.03 0.14 0.03 0.00 0.00 0.00 0.00 175.10 175.23 3kcq s LEU 84 N 1.47 4.44 -0.41 0.00 1.43 -0.47 -1.48 118.68 123.67 3kcq s LEU 84 Ca 0.03 1.55 0.06 0.00 -1.03 0.00 0.00 54.13 54.74 3kcq s LEU 84 Cb -0.16 -3.36 0.20 0.00 0.03 0.00 0.00 46.19 42.90 3kcq s LEU 84 CO -0.00 -0.06 0.45 0.00 0.23 0.00 0.00 176.35 176.97 3kcq n ALA 85 N 3.04 2.35 -1.18 4.21 0.00 -0.03 -3.76 120.51 125.14 3kcq n ALA 85 Ca 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.37 3kcq n ALA 85 Cb 0.50 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3kcq n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcq n GLY 86 N 2.24 0.57 3.62 0.00 0.00 -1.26 -4.49 105.19 105.87 3kcq n GLY 86 Ca 0.25 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 3kcq n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kcq s PHE 87 N -2.00 2.87 -1.01 1.61 5.36 -1.26 -2.63 117.98 120.92 3kcq s PHE 87 Ca 0.00 0.91 -0.02 0.00 -0.96 0.00 0.00 56.93 56.86 3kcq s PHE 87 Cb 0.00 -4.07 0.31 0.00 -0.34 0.00 0.00 43.02 38.92 3kcq s PHE 87 CO 0.00 -1.24 1.52 -1.33 -1.46 0.00 0.00 175.22 172.72 3kcq n MET 88 N 7.43 4.62 -3.77 10.12 2.81 -1.26 -4.92 117.12 132.15 3kcq n MET 88 Ca 0.13 -4.62 -0.13 0.00 -1.81 0.00 0.00 57.70 51.27 3kcq n MET 88 Cb 0.48 -2.47 -0.14 0.00 -0.71 0.00 0.00 33.22 30.38 3kcq n MET 88 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 3kcq s SER 89 N -1.78 -0.10 0.10 7.83 0.01 -1.26 -5.08 113.70 113.41 3kcq s SER 89 Ca 0.35 0.27 -0.32 0.00 1.31 0.00 0.00 55.95 57.56 3kcq s SER 89 Cb 0.11 0.18 -0.12 0.00 0.21 0.00 0.00 66.02 66.41 3kcq s SER 89 CO 0.01 -0.13 1.79 -0.38 0.41 0.00 0.00 173.24 174.94 3kcq n ILE 90 N 3.97 0.31 -3.20 1.44 -0.00 -1.26 -4.98 119.36 115.64 3kcq n ILE 90 Ca -0.24 -0.06 -0.40 0.00 -0.00 0.00 0.00 62.75 62.06 3kcq n ILE 90 Cb 0.53 -1.94 -0.07 0.00 -0.00 0.00 0.00 39.64 38.16 3kcq n ILE 90 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 3kcq s LEU 91 N 2.52 4.09 0.84 1.39 1.43 -1.26 -5.00 118.68 122.69 3kcq s LEU 91 Ca 0.83 0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 54.44 3kcq s LEU 91 Cb -0.56 -2.74 0.07 0.00 0.03 0.00 0.00 46.19 42.99 3kcq s LEU 91 CO 0.40 -0.27 0.96 -2.65 0.23 0.00 0.00 176.35 175.02 3kcq n PRO 92 N 5.28 0.03 0.07 1.29 -0.02 -1.26 -4.83 135.00 135.56 3kcq n PRO 92 Ca -0.03 0.08 -0.12 0.00 -2.02 0.00 0.00 63.50 61.41 3kcq n PRO 92 Cb 0.50 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 3kcq n PRO 92 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3kcq h GLU 93 N -1.08 -0.16 -0.93 -0.52 4.81 -1.97 -2.75 114.58 111.98 3kcq h GLU 93 Ca -0.45 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 58.89 3kcq h GLU 93 Cb 1.30 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.65 3kcq h GLU 93 CO 0.43 -0.11 0.59 1.57 -0.73 0.00 0.00 179.01 180.76 3kcq h LYS 94 N -0.17 0.90 -0.35 1.92 2.10 -1.99 -1.42 116.57 117.57 3kcq h LYS 94 Ca 0.02 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 3kcq h LYS 94 Cb 0.18 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 3kcq h LYS 94 CO -0.05 0.60 0.11 0.35 -2.00 0.00 0.00 179.45 178.45 3kcq h PHE 95 N 0.93 0.57 -0.09 0.07 3.57 -1.87 0.21 116.94 120.33 3kcq h PHE 95 Ca 0.43 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.84 3kcq h PHE 95 Cb 0.41 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3kcq h PHE 95 CO -0.00 0.56 -0.11 0.28 -2.23 0.00 0.00 178.31 176.80 3kcq h VAL 96 N 0.42 1.14 0.00 1.41 2.07 -1.04 -1.34 116.25 118.90 3kcq h VAL 96 Ca 0.11 -0.61 -0.15 0.00 0.82 0.00 0.00 66.70 66.88 3kcq h VAL 96 Cb 0.26 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3kcq h VAL 96 CO -0.00 0.18 -1.04 0.71 0.02 0.00 0.00 177.57 177.45 3kcq h THR 97 N 0.13 0.71 0.00 2.57 1.35 -1.04 -3.05 112.91 113.58 3kcq h THR 97 Ca 0.03 -2.16 -0.05 0.00 -0.55 0.00 0.00 66.41 63.68 3kcq h THR 97 Cb 0.29 2.23 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 3kcq h THR 97 CO 0.02 0.40 -0.24 0.44 -0.25 0.00 0.00 175.52 175.89 3kcq h ASP 98 N 0.00 0.00 -0.58 5.36 3.32 -0.06 -3.10 116.42 121.37 3kcq h ASP 98 Ca -0.09 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.55 3kcq h ASP 98 Cb 1.52 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.78 3kcq h ASP 98 CO 0.06 0.24 -0.45 0.79 -1.72 0.00 0.00 179.24 178.16 3kcq n TRP 99 N -3.42 2.03 -1.63 4.55 7.02 -0.55 -5.06 117.44 120.38 3kcq n TRP 99 Ca -0.00 -2.08 -0.62 0.00 -1.02 0.00 0.00 57.50 53.78 3kcq n TRP 99 Cb 0.43 -0.48 -0.09 0.00 -2.42 0.00 0.00 31.31 28.75 3kcq n TRP 99 CO 0.00 0.00 0.00 1.58 -2.02 0.00 0.00 177.69 177.25 3kcq n HIS 100 N -0.88 1.75 -1.44 -5.99 -0.00 -1.15 -0.58 115.22 106.93 3kcq n HIS 100 Ca 0.40 0.80 -0.15 0.00 0.46 0.00 0.00 57.72 59.23 3kcq n HIS 100 Cb 0.90 -2.34 -0.06 0.00 -0.12 0.00 0.00 29.99 28.36 3kcq n HIS 100 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 3kcq n HIS 101 N 5.58 0.00 -1.29 1.57 8.25 -1.26 -4.83 115.22 123.23 3kcq n HIS 101 Ca 0.35 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.88 3kcq n HIS 101 Cb 0.03 -2.88 0.10 0.00 1.12 0.00 0.00 29.99 28.36 3kcq n HIS 101 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kcq n LYS 102 N -1.93 0.97 -4.80 -0.41 5.02 0.26 -5.00 118.16 112.26 3kcq n LYS 102 Ca -0.15 -2.13 -0.28 0.00 -2.02 0.00 0.00 58.31 53.73 3kcq n LYS 102 Cb 0.57 -1.22 -0.17 0.00 -0.02 0.00 0.00 35.03 34.19 3kcq n LYS 102 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kcq s ILE 103 N -2.07 1.53 0.28 -0.18 1.01 -1.22 -0.90 121.20 119.64 3kcq s ILE 103 Ca 0.23 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.24 3kcq s ILE 103 Cb 0.20 -1.36 -0.06 0.00 0.01 0.00 0.00 42.46 41.25 3kcq s ILE 103 CO 0.02 0.44 -0.06 0.27 0.00 0.00 0.00 174.94 175.61 3kcq s ILE 104 N 0.59 1.65 -0.11 2.92 -4.36 -0.51 -0.57 121.20 120.81 3kcq s ILE 104 Ca -0.15 -2.13 -0.16 0.00 -0.26 0.00 0.00 60.65 57.95 3kcq s ILE 104 Cb -0.16 -2.44 0.04 0.00 1.25 0.00 0.00 42.46 41.14 3kcq s ILE 104 CO 0.05 -0.31 0.42 0.21 0.24 0.00 0.00 174.94 175.55 3kcq s ASN 105 N -3.44 -0.40 -0.18 4.36 2.47 0.05 -1.37 114.94 116.43 3kcq s ASN 105 Ca 0.29 0.64 -0.08 0.00 0.42 0.00 0.00 52.86 54.13 3kcq s ASN 105 Cb 0.04 0.69 -0.04 0.00 -1.45 0.00 0.00 41.25 40.49 3kcq s ASN 105 CO 0.12 -0.27 0.09 -0.51 -3.72 0.00 0.00 177.10 172.80 3kcq s ILE 106 N -0.32 5.01 -0.03 -5.21 1.10 -1.25 -1.43 121.20 119.06 3kcq s ILE 106 Ca -0.05 0.04 0.06 0.00 -0.51 0.00 0.00 60.65 60.19 3kcq s ILE 106 Cb -0.03 -3.26 -0.01 0.00 0.15 0.00 0.00 42.46 39.30 3kcq s ILE 106 CO 0.02 0.46 -0.20 -2.28 -2.11 0.00 0.00 174.94 170.83 3kcq s HIS 107 N 0.29 1.93 -0.23 3.50 5.65 -0.24 -4.82 115.29 121.39 3kcq s HIS 107 Ca 0.05 -0.48 -0.02 0.00 0.25 0.00 0.00 55.06 54.86 3kcq s HIS 107 Cb -0.12 -1.27 0.07 0.00 -1.18 0.00 0.00 32.58 30.08 3kcq s HIS 107 CO -0.00 -0.12 2.39 -0.35 -0.65 0.00 0.00 174.74 176.00 3kcq n PRO 108 N 2.85 1.76 -4.09 2.88 -0.04 -1.26 -0.89 135.00 136.21 3kcq n PRO 108 Ca -0.17 -1.27 -0.10 0.00 -0.04 0.00 0.00 63.50 61.92 3kcq n PRO 108 Cb 0.53 -1.63 -0.08 0.00 -0.04 0.00 0.00 33.50 32.28 3kcq n PRO 108 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kcq s SER 109 N 0.90 0.09 -1.04 3.54 1.04 -0.60 -4.17 113.70 113.46 3kcq s SER 109 Ca 0.34 -1.13 -0.21 0.00 0.48 0.00 0.00 55.95 55.44 3kcq s SER 109 Cb 0.22 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.86 3kcq s SER 109 CO -0.05 -0.91 1.40 -0.76 0.98 0.00 0.00 173.24 173.91 3kcq s LEU 110 N -3.06 4.07 0.64 2.42 1.43 -1.23 -2.80 118.68 120.15 3kcq s LEU 110 Ca 0.28 -1.84 -0.18 0.00 -1.03 0.00 0.00 54.13 51.35 3kcq s LEU 110 Cb 0.04 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 3kcq s LEU 110 CO 0.07 -1.29 1.20 0.18 0.23 0.00 0.00 176.35 176.73 3kcq n LEU 111 N 7.98 5.37 -0.25 1.79 4.77 -1.26 -1.89 117.00 133.50 3kcq n LEU 111 Ca 0.33 0.81 0.04 0.00 -0.03 0.00 0.00 56.01 57.16 3kcq n LEU 111 Cb 0.49 -1.51 0.14 0.00 -2.33 0.00 0.00 43.42 40.21 3kcq n LEU 111 CO 0.63 -1.27 0.60 -0.81 -1.33 0.00 0.00 177.39 175.21 3kcq n PRO 112 N -1.69 1.32 -2.35 3.23 -0.04 -1.26 -5.09 135.00 129.11 3kcq n PRO 112 Ca 0.15 -0.49 -0.41 0.00 -0.04 0.00 0.00 63.50 62.71 3kcq n PRO 112 Cb 0.48 -1.15 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 3kcq n PRO 112 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3kcq s SER 113 N -1.10 7.08 -0.65 3.54 0.01 -0.79 -4.25 113.70 117.53 3kcq s SER 113 Ca 0.13 2.32 -0.03 0.00 1.31 0.00 0.00 55.95 59.68 3kcq s SER 113 Cb 0.07 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 3kcq s SER 113 CO 0.09 -0.34 0.56 0.49 0.41 0.00 0.00 173.24 174.45 3kcq n PHE 114 N 1.92 -1.42 -2.08 2.43 3.72 -1.26 -4.38 117.46 116.39 3kcq n PHE 114 Ca 0.02 0.53 -0.33 0.00 -0.05 0.00 0.00 57.45 57.62 3kcq n PHE 114 Cb 0.44 -3.58 0.01 0.00 -0.94 0.00 0.00 39.48 35.41 3kcq n PHE 114 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3kcq s LYS 115 N -4.12 3.32 0.23 -1.08 1.02 -1.26 -4.68 119.74 113.17 3kcq s LYS 115 Ca 0.19 1.25 0.00 0.00 0.02 0.00 0.00 55.97 57.43 3kcq s LYS 115 Cb -0.03 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 3kcq s LYS 115 CO 0.44 -0.81 0.00 0.41 -0.92 0.00 0.00 175.35 174.47 3kcq n GLY 116 N -0.83 -1.86 3.82 -3.33 0.00 -1.26 -4.91 105.19 96.81 3kcq n GLY 116 Ca 0.09 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 3kcq n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kcq s LEU 117 N 0.00 3.73 -1.37 0.99 1.43 -1.26 -4.11 118.68 118.09 3kcq s LEU 117 Ca 0.00 1.75 -0.08 0.00 -1.03 0.00 0.00 54.13 54.77 3kcq s LEU 117 Cb 0.00 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.71 3kcq s LEU 117 CO 0.00 -0.71 1.10 -0.46 0.23 0.00 0.00 176.35 176.51 3kcq n ASN 118 N -1.30 -5.25 -0.16 2.29 6.94 -1.26 -4.89 115.26 111.62 3kcq n ASN 118 Ca 0.08 -0.61 0.10 0.00 -0.02 0.00 0.00 54.58 54.13 3kcq n ASN 118 Cb 0.53 -4.79 0.42 0.00 -2.36 0.00 0.00 39.78 33.58 3kcq n ASN 118 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kcq h ALA 119 N 0.99 1.88 -0.24 -2.53 0.00 -1.84 -1.31 119.26 116.21 3kcq h ALA 119 Ca -0.58 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 3kcq h ALA 119 Cb 1.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3kcq h ALA 119 CO 0.57 -0.03 -0.01 1.96 0.00 0.00 0.00 179.25 181.74 3kcq h GLN 120 N 0.59 0.43 -0.87 0.00 7.50 -1.91 -1.57 115.11 119.28 3kcq h GLN 120 Ca 0.33 -0.14 0.01 0.00 0.50 0.00 0.00 58.65 59.34 3kcq h GLN 120 Cb 0.51 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 27.96 3kcq h GLN 120 CO -0.11 0.62 0.57 1.49 -1.50 0.00 0.00 178.83 179.89 3kcq h GLU 121 N 0.20 1.16 -0.43 1.46 4.81 -1.70 -0.41 114.58 119.67 3kcq h GLU 121 Ca 0.07 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3kcq h GLU 121 Cb 0.43 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3kcq h GLU 121 CO 0.01 0.78 0.17 1.96 -0.73 0.00 0.00 179.01 181.21 3kcq h GLN 122 N 1.19 0.63 -0.20 1.92 4.20 -0.97 -1.74 115.11 120.15 3kcq h GLN 122 Ca 0.32 -0.11 -0.12 0.00 0.06 0.00 0.00 58.65 58.80 3kcq h GLN 122 Cb -0.12 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 3kcq h GLN 122 CO -0.07 0.58 -0.38 0.00 -0.67 0.00 0.00 178.83 178.30 3kcq h ALA 123 N 1.02 0.98 0.14 3.87 0.00 -0.95 -1.49 119.26 122.83 3kcq h ALA 123 Ca 0.14 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3kcq h ALA 123 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kcq h ALA 123 CO -0.01 0.61 -0.07 -0.92 0.00 0.00 0.00 179.25 178.86 3kcq h TYR 124 N 0.37 -0.17 0.00 0.00 3.20 -0.79 -2.75 116.97 116.83 3kcq h TYR 124 Ca 0.04 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3kcq h TYR 124 Cb 0.83 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 3kcq h TYR 124 CO 0.03 0.04 -0.11 0.87 -1.64 0.00 0.00 178.16 177.35 3kcq h LYS 125 N -0.37 0.00 0.00 1.82 1.57 -1.27 -2.61 116.57 115.72 3kcq h LYS 125 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kcq h LYS 125 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3kcq h LYS 125 CO 0.03 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 179.02 3kcq h ALA 126 N 1.89 1.00 -0.43 3.86 0.00 -1.17 -3.48 119.26 120.94 3kcq h ALA 126 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3kcq h ALA 126 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3kcq h ALA 126 CO 0.01 0.00 -0.10 0.41 0.00 0.00 0.00 179.25 179.57 3kcq n GLY 127 N 0.81 0.48 3.74 0.00 0.00 -0.98 -5.02 105.19 104.21 3kcq n GLY 127 Ca 0.03 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 3kcq n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kcq n VAL 128 N -3.39 4.44 0.80 1.61 0.24 -1.20 -4.95 118.33 115.87 3kcq n VAL 128 Ca -0.05 -0.50 0.11 0.00 -2.04 0.00 0.00 64.34 61.86 3kcq n VAL 128 Cb 0.33 -1.58 -0.00 0.00 -1.47 0.00 0.00 33.84 31.12 3kcq n VAL 128 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3kcq n LYS 129 N -1.48 0.13 -4.03 7.34 4.76 -1.26 -4.75 118.16 118.87 3kcq n LYS 129 Ca 0.13 -0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.39 3kcq n LYS 129 Cb 0.46 -1.53 -0.15 0.00 -1.84 0.00 0.00 35.03 31.97 3kcq n LYS 129 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kcq s ILE 130 N -3.10 0.28 0.16 -0.18 1.01 -1.26 -1.50 121.20 116.61 3kcq s ILE 130 Ca 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.68 3kcq s ILE 130 Cb 0.16 -0.31 -0.01 0.00 0.01 0.00 0.00 42.46 42.31 3kcq s ILE 130 CO 0.82 0.13 0.06 0.00 0.00 0.00 0.00 174.94 175.95 3kcq n ALA 131 N 3.66 0.23 0.00 9.38 0.00 0.30 -4.93 120.51 129.15 3kcq n ALA 131 Ca -0.21 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.43 3kcq n ALA 131 Cb 0.54 0.55 0.00 0.00 0.00 0.00 0.00 19.45 20.53 3kcq n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcq n GLY 132 N 1.04 -1.19 3.31 0.00 0.00 -1.26 -0.45 105.19 106.63 3kcq n GLY 132 Ca -0.02 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 3kcq n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcq s THR 134 N -3.14 0.38 -0.16 0.00 2.01 -0.07 -2.18 115.64 112.49 3kcq s THR 134 Ca 0.21 0.02 -0.16 0.00 0.31 0.00 0.00 61.69 62.07 3kcq s THR 134 Cb 0.01 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 3kcq s THR 134 CO 0.05 0.22 0.39 -0.22 -0.69 0.00 0.00 174.62 174.36 3kcq s LEU 135 N 1.31 4.23 0.10 4.42 2.96 0.13 -1.07 118.68 130.76 3kcq s LEU 135 Ca -0.05 0.62 -0.15 0.00 -0.22 0.00 0.00 54.13 54.32 3kcq s LEU 135 Cb -0.13 -2.52 0.03 0.00 0.50 0.00 0.00 46.19 44.06 3kcq s LEU 135 CO -0.02 0.02 0.36 -1.38 -1.32 0.00 0.00 176.35 174.01 3kcq s HIS 136 N 0.75 -0.16 0.35 5.38 -3.43 -0.51 -0.02 115.29 117.66 3kcq s HIS 136 Ca 0.20 -0.10 -0.27 0.00 -0.80 0.00 0.00 55.06 54.10 3kcq s HIS 136 Cb -0.14 0.19 -0.09 0.00 -1.43 0.00 0.00 32.58 31.11 3kcq s HIS 136 CO 0.07 -0.63 1.13 0.71 -2.00 0.00 0.00 174.74 174.02 3kcq s TYR 137 N -3.42 3.28 -0.28 0.38 2.02 -0.78 -0.77 117.35 117.79 3kcq s TYR 137 Ca 0.01 1.61 -0.17 0.00 -0.37 0.00 0.00 57.07 58.15 3kcq s TYR 137 Cb 0.01 -3.32 -0.02 0.00 -0.40 0.00 0.00 41.96 38.23 3kcq s TYR 137 CO -0.09 -0.94 0.49 0.08 -1.57 0.00 0.00 175.55 173.52 3kcq s VAL 138 N -1.36 5.07 0.19 0.71 1.01 0.26 -3.68 120.40 122.59 3kcq s VAL 138 Ca 0.52 0.72 0.01 0.00 0.00 0.00 0.00 61.98 63.23 3kcq s VAL 138 Cb -0.30 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.25 3kcq s VAL 138 CO 0.38 0.03 0.05 -1.22 0.00 0.00 0.00 175.10 174.34 3kcq n TYR 139 N 5.56 -0.11 -0.26 5.22 4.02 -1.26 -4.73 117.16 125.60 3kcq n TYR 139 Ca -0.05 -0.88 -0.05 0.00 -0.01 0.00 0.00 57.90 56.91 3kcq n TYR 139 Cb 0.50 -0.13 0.06 0.00 -0.02 0.00 0.00 39.34 39.74 3kcq n TYR 139 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3kcq h GLN 140 N 0.00 0.97 -6.31 -0.72 4.20 -1.97 -3.42 115.11 107.87 3kcq h GLN 140 Ca -0.14 -0.08 -0.55 0.00 0.06 0.00 0.00 58.65 57.93 3kcq h GLN 140 Cb 0.46 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3kcq h GLN 140 CO 0.23 0.68 0.60 -2.00 -0.67 0.00 0.00 178.83 177.67 3kcq s GLU 141 N -6.01 4.41 0.11 1.46 2.12 -1.26 -4.96 118.70 114.57 3kcq s GLU 141 Ca -0.13 1.53 -0.33 0.00 0.36 0.00 0.00 54.97 56.40 3kcq s GLU 141 Cb 0.15 -3.53 -0.12 0.00 0.26 0.00 0.00 34.13 30.89 3kcq s GLU 141 CO 0.78 -0.34 1.74 -0.11 -0.54 0.00 0.00 175.26 176.80 3kcq n LEU 142 N 4.91 3.62 -2.97 2.70 0.00 -1.26 -2.58 117.00 121.42 3kcq n LEU 142 Ca 0.09 1.03 -0.18 0.00 0.00 0.00 0.00 56.01 56.95 3kcq n LEU 142 Cb 0.48 -1.48 -0.00 0.00 0.00 0.00 0.00 43.42 42.42 3kcq n LEU 142 CO 0.53 -0.02 -0.08 0.47 0.00 0.00 0.00 177.39 178.30 3kcq n ASP 143 N 4.83 -3.90 0.00 1.96 8.00 -1.26 -4.86 116.55 121.33 3kcq n ASP 143 Ca 0.18 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.54 3kcq n ASP 143 Cb 0.33 -3.25 0.00 0.00 -0.02 0.00 0.00 41.12 38.18 3kcq n ASP 143 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kcq n ALA 144 N -3.02 1.52 -1.10 2.24 0.00 -1.06 -4.96 120.51 114.13 3kcq n ALA 144 Ca -0.07 -0.63 -0.29 0.00 0.00 0.00 0.00 53.44 52.44 3kcq n ALA 144 Cb 0.57 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.18 3kcq n ALA 144 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kcq s GLY 145 N -0.39 1.60 0.27 0.00 0.00 -1.24 -4.91 107.32 102.63 3kcq s GLY 145 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 44.72 44.30 3kcq s GLY 145 CO 0.00 0.43 1.42 -1.05 0.00 0.00 0.00 173.10 173.90 3kcq n PRO 146 N -4.09 2.17 -2.58 2.90 -0.02 -1.26 -4.52 135.00 127.61 3kcq n PRO 146 Ca 0.06 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 3kcq n PRO 146 Cb 0.55 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 3kcq n PRO 146 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kcq s ILE 147 N -0.21 4.16 -0.22 4.25 1.01 -1.26 -1.86 121.20 127.07 3kcq s ILE 147 Ca 0.65 1.76 -0.14 0.00 0.00 0.00 0.00 60.65 62.92 3kcq s ILE 147 Cb -0.61 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 37.65 3kcq s ILE 147 CO 0.51 0.25 -0.32 -0.38 0.00 0.00 0.00 174.94 175.00 3kcq n ILE 148 N 2.87 1.42 -3.91 2.92 5.41 0.97 -4.23 119.36 124.82 3kcq n ILE 148 Ca 0.04 -0.18 -0.11 0.00 1.00 0.00 0.00 62.75 63.50 3kcq n ILE 148 Cb 0.47 -1.99 -0.12 0.00 -0.71 0.00 0.00 39.64 37.30 3kcq n ILE 148 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 3kcq s MET 149 N -2.59 0.25 -0.02 0.38 -1.94 -0.88 -4.83 119.30 109.67 3kcq s MET 149 Ca -0.32 -0.30 0.02 0.00 -1.71 0.00 0.00 55.69 53.37 3kcq s MET 149 Cb 0.10 0.10 0.01 0.00 2.01 0.00 0.00 34.83 37.05 3kcq s MET 149 CO 0.43 -0.05 -0.06 -0.65 -0.01 0.00 0.00 175.02 174.68 3kcq s GLN 150 N -0.87 0.69 -0.05 2.03 -0.21 -0.97 0.20 119.66 120.48 3kcq s GLN 150 Ca -0.10 -0.17 0.06 0.00 0.02 0.00 0.00 55.36 55.18 3kcq s GLN 150 Cb -0.06 -0.68 -0.01 0.00 1.00 0.00 0.00 33.01 33.25 3kcq s GLN 150 CO -0.00 0.03 -0.25 0.00 -2.12 0.00 0.00 175.29 172.95 3kcq s ALA 151 N 0.40 2.19 0.08 6.09 0.00 -0.93 -1.51 121.76 128.09 3kcq s ALA 151 Ca -0.05 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3kcq s ALA 151 Cb -0.09 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 3kcq s ALA 151 CO -0.00 0.45 0.22 0.00 0.00 0.00 0.00 175.76 176.43 3kcq s ALA 152 N -0.30 3.96 -0.09 0.00 0.00 0.16 -2.22 121.76 123.28 3kcq s ALA 152 Ca 0.01 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 3kcq s ALA 152 Cb -0.13 -1.78 0.03 0.00 0.00 0.00 0.00 23.12 21.24 3kcq s ALA 152 CO 0.02 0.75 0.22 0.08 0.00 0.00 0.00 175.76 176.84 3kcq s VAL 153 N -1.56 -0.01 0.72 0.00 1.01 0.40 -1.48 120.40 119.48 3kcq s VAL 153 Ca 0.34 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 3kcq s VAL 153 Cb -0.12 -0.32 0.03 0.00 0.00 0.00 0.00 36.38 35.96 3kcq s VAL 153 CO 0.28 0.01 1.09 -2.16 0.00 0.00 0.00 175.10 174.32 3kcq s PRO 154 N 0.37 2.60 -0.14 2.72 0.04 -1.26 -0.54 135.00 138.80 3kcq s PRO 154 Ca -0.02 1.19 -0.02 0.00 0.04 0.00 0.00 61.00 62.18 3kcq s PRO 154 Cb -0.04 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 3kcq s PRO 154 CO -0.02 -1.38 -0.07 0.08 0.04 0.00 0.00 177.00 175.66 3kcq s VAL 155 N -2.76 3.65 0.22 -0.36 1.01 -0.56 -4.69 120.40 116.91 3kcq s VAL 155 Ca 0.62 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.19 3kcq s VAL 155 Cb -0.17 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3kcq s VAL 155 CO 0.51 0.52 0.32 -0.76 0.00 0.00 0.00 175.10 175.68 3kcq s LEU 156 N 0.19 4.27 0.23 3.92 1.43 -1.26 -4.84 118.68 122.61 3kcq s LEU 156 Ca -0.04 0.06 -0.07 0.00 -1.03 0.00 0.00 54.13 53.06 3kcq s LEU 156 Cb -0.14 -2.82 0.31 0.00 0.03 0.00 0.00 46.19 43.58 3kcq s LEU 156 CO 0.03 -0.03 1.82 -0.09 0.23 0.00 0.00 176.35 178.31 3kcq h ARG 157 N 1.47 0.75 -0.57 1.70 2.43 -2.00 -2.59 114.38 115.58 3kcq h ARG 157 Ca -0.51 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3kcq h ARG 157 Cb 1.22 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3kcq h ARG 157 CO 0.63 0.50 0.00 0.39 -1.51 0.00 0.00 179.97 179.98 3kcq n GLU 158 N -4.74 2.48 -2.10 0.20 -0.58 -1.26 -4.94 120.64 109.70 3kcq n GLU 158 Ca 0.11 -1.60 -0.34 0.00 -0.42 0.00 0.00 57.16 54.91 3kcq n GLU 158 Cb 0.21 -1.58 0.01 0.00 -0.57 0.00 0.00 31.44 29.51 3kcq n GLU 158 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3kcq s ASP 159 N -0.75 5.59 0.39 1.62 1.01 -0.98 -5.07 116.67 118.49 3kcq s ASP 159 Ca 0.29 2.04 0.08 0.00 0.71 0.00 0.00 52.55 55.67 3kcq s ASP 159 Cb 0.18 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 3kcq s ASP 159 CO 0.14 -1.30 0.33 0.42 0.21 0.00 0.00 175.17 174.98 3kcq s THR 160 N -2.07 2.85 0.29 -1.27 -4.23 -1.26 -4.97 115.64 104.98 3kcq s THR 160 Ca 0.69 -1.39 0.03 0.00 -1.18 0.00 0.00 61.69 59.84 3kcq s THR 160 Cb -0.21 -3.04 0.28 0.00 1.34 0.00 0.00 72.50 70.87 3kcq s THR 160 CO 0.32 -0.05 1.73 0.00 -0.54 0.00 0.00 174.62 176.08 3kcq h ALA 161 N 1.13 1.44 -0.15 3.99 0.00 -1.97 -0.84 119.26 122.86 3kcq h ALA 161 Ca -0.42 0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 3kcq h ALA 161 Cb 1.26 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.12 3kcq h ALA 161 CO 0.59 -0.23 -0.74 1.05 0.00 0.00 0.00 179.25 179.91 3kcq h GLU 162 N 0.52 0.78 0.00 0.00 9.09 -1.96 -1.27 114.58 121.74 3kcq h GLU 162 Ca 0.54 -0.63 -0.11 0.00 0.05 0.00 0.00 59.36 59.20 3kcq h GLU 162 Cb 0.93 0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 28.14 3kcq h GLU 162 CO -0.46 1.24 -0.55 0.66 0.05 0.00 0.00 179.01 179.95 3kcq h SER 163 N 0.50 0.00 -0.65 3.06 4.64 -1.88 -2.03 113.55 117.19 3kcq h SER 163 Ca -0.05 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 3kcq h SER 163 Cb 1.38 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.44 3kcq h SER 163 CO 0.15 0.55 0.15 0.25 -0.87 0.00 0.00 176.83 177.07 3kcq h LEU 164 N 0.00 1.00 -0.59 5.97 5.85 -1.07 -2.86 115.31 123.60 3kcq h LEU 164 Ca -0.01 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3kcq h LEU 164 Cb 1.00 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3kcq h LEU 164 CO 0.07 0.98 0.35 0.00 -0.34 0.00 0.00 178.44 179.49 3kcq h ALA 165 N 1.06 0.76 -0.66 1.25 0.00 -0.70 -2.11 119.26 118.85 3kcq h ALA 165 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kcq h ALA 165 Cb 0.37 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3kcq h ALA 165 CO 0.00 0.25 0.42 0.77 0.00 0.00 0.00 179.25 180.69 3kcq h SER 166 N 0.80 0.78 -0.69 0.00 0.02 -1.32 0.28 113.55 113.43 3kcq h SER 166 Ca 0.21 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3kcq h SER 166 Cb -0.00 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 3kcq h SER 166 CO -0.04 0.60 0.32 -0.09 -1.14 0.00 0.00 176.83 176.48 3kcq h ARG 167 N 0.90 1.00 -0.43 3.45 2.43 -1.26 -0.73 114.38 119.75 3kcq h ARG 167 Ca 0.24 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3kcq h ARG 167 Cb -0.06 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 3kcq h ARG 167 CO -0.05 0.80 0.06 0.82 -1.51 0.00 0.00 179.97 180.10 3kcq h ILE 168 N 0.96 1.25 -0.55 1.20 2.04 -0.99 -2.50 117.51 118.92 3kcq h ILE 168 Ca 0.24 -0.90 0.08 0.00 1.00 0.00 0.00 64.86 65.27 3kcq h ILE 168 Cb 0.14 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 3kcq h ILE 168 CO -0.03 0.31 0.22 0.25 0.00 0.00 0.00 178.15 178.90 3kcq h LEU 169 N 0.57 0.24 -1.36 1.44 5.85 -0.18 -0.61 115.31 121.25 3kcq h LEU 169 Ca 0.13 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3kcq h LEU 169 Cb 0.39 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3kcq h LEU 169 CO 0.01 0.16 0.38 0.00 -0.34 0.00 0.00 178.44 178.65 3kcq h ALA 170 N 1.36 1.53 -0.17 1.25 0.00 -0.90 -1.50 119.26 120.84 3kcq h ALA 170 Ca 0.27 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3kcq h ALA 170 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kcq h ALA 170 CO -0.26 0.42 -0.45 0.00 0.00 0.00 0.00 179.25 178.97 3kcq h ALA 171 N 1.59 0.91 -0.54 0.00 0.00 -0.96 -2.88 119.26 117.38 3kcq h ALA 171 Ca 0.22 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3kcq h ALA 171 Cb -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3kcq h ALA 171 CO -0.04 0.64 0.23 0.93 0.00 0.00 0.00 179.25 181.01 3kcq h GLU 172 N 0.34 0.77 0.00 0.00 5.08 -0.15 -0.88 114.58 119.74 3kcq h GLU 172 Ca 0.02 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3kcq h GLU 172 Cb 0.92 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 3kcq h GLU 172 CO 0.08 0.62 -0.08 0.45 -1.00 0.00 0.00 179.01 179.08 3kcq h HIS 173 N 0.76 0.00 0.13 4.33 3.86 -1.12 -0.00 115.15 123.11 3kcq h HIS 173 Ca 0.19 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 59.05 3kcq h HIS 173 Cb 0.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 3kcq h HIS 173 CO 0.01 0.08 -1.87 0.28 0.86 0.00 0.00 177.93 177.29 3kcq h VAL 174 N 0.00 0.73 -0.09 2.45 2.07 -1.45 -3.40 116.25 116.56 3kcq h VAL 174 Ca -0.00 -2.37 -0.21 0.00 0.82 0.00 0.00 66.70 64.94 3kcq h VAL 174 Cb 0.20 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 3kcq h VAL 174 CO 0.01 0.85 -0.81 0.00 0.02 0.00 0.00 177.57 177.64 3kcq h TYR 176 N 0.39 -0.75 -0.72 0.00 5.03 -1.24 -2.56 116.97 117.11 3kcq h TYR 176 Ca -0.06 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.22 3kcq h TYR 176 Cb 1.42 0.25 -0.03 0.00 1.55 0.00 0.00 36.73 39.92 3kcq h TYR 176 CO 0.07 -0.42 0.40 -1.35 -1.32 0.00 0.00 178.16 175.54 3kcq h PRO 177 N -1.11 0.99 0.17 1.82 0.11 -1.78 -2.27 132.00 129.93 3kcq h PRO 177 Ca -0.08 -0.10 0.01 0.00 0.11 0.00 0.00 66.00 65.93 3kcq h PRO 177 Cb 0.67 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 3kcq h PRO 177 CO 0.14 0.72 -0.21 -0.22 -0.21 0.00 0.00 178.00 178.21 3kcq h LYS 178 N 1.00 -0.42 -0.93 1.05 3.64 -1.56 -0.94 116.57 118.41 3kcq h LYS 178 Ca 0.26 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.74 3kcq h LYS 178 Cb 0.01 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 3kcq h LYS 178 CO -0.04 -0.28 0.59 0.78 -2.27 0.00 0.00 179.45 178.22 3kcq h GLY 179 N -0.43 1.44 1.13 5.01 0.00 -1.26 0.06 103.07 109.01 3kcq h GLY 179 Ca 0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 3kcq h GLY 179 CO -0.08 0.27 0.04 -2.08 0.00 0.00 0.00 176.54 174.68 3kcq h VAL 180 N 1.04 1.26 -0.80 4.60 2.07 -1.22 -1.39 116.25 121.81 3kcq h VAL 180 Ca 0.42 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 3kcq h VAL 180 Cb 0.23 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3kcq h VAL 180 CO -0.19 0.40 0.32 0.11 0.02 0.00 0.00 177.57 178.23 3kcq h LYS 181 N 0.97 1.20 -0.59 1.57 1.57 -0.69 0.63 116.57 121.23 3kcq h LYS 181 Ca 0.18 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3kcq h LYS 181 Cb 0.51 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3kcq h LYS 181 CO 0.02 0.97 0.16 -0.07 -0.57 0.00 0.00 179.45 179.96 3kcq h LEU 182 N 1.17 0.88 -0.00 2.94 3.38 -0.47 -1.30 115.31 121.91 3kcq h LEU 182 Ca 0.27 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kcq h LEU 182 Cb 0.21 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3kcq h LEU 182 CO -0.02 0.88 0.00 0.40 0.09 0.00 0.00 178.44 179.78 3kcq h ILE 183 N 0.84 1.14 -0.97 1.22 2.04 -1.04 -2.15 117.51 118.59 3kcq h ILE 183 Ca 0.19 -0.42 0.23 0.00 1.00 0.00 0.00 64.86 65.86 3kcq h ILE 183 Cb 0.33 1.42 -0.08 0.00 -0.74 0.00 0.00 36.82 37.76 3kcq h ILE 183 CO -0.00 0.11 0.64 0.00 0.00 0.00 0.00 178.15 178.90 3kcq h ALA 184 N 0.82 2.26 -0.42 1.87 0.00 -0.66 0.16 119.26 123.30 3kcq h ALA 184 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kcq h ALA 184 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kcq h ALA 184 CO -0.00 -0.59 0.00 1.04 0.00 0.00 0.00 179.25 179.70 3kcq n GLN 185 N -4.54 2.22 -2.63 0.00 6.02 -0.51 -4.91 117.38 113.03 3kcq n GLN 185 Ca 0.22 -1.60 -0.20 0.00 -0.01 0.00 0.00 57.00 55.41 3kcq n GLN 185 Cb 0.79 -1.44 0.01 0.00 1.02 0.00 0.00 30.24 30.62 3kcq n GLN 185 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3kcq n ASP 186 N 0.70 -5.68 -0.01 1.08 4.64 0.56 -4.90 116.55 112.94 3kcq n ASP 186 Ca 0.15 -0.13 0.11 0.00 -1.38 0.00 0.00 54.79 53.54 3kcq n ASP 186 Cb 0.44 -4.62 -0.16 0.00 -1.04 0.00 0.00 41.12 35.73 3kcq n ASP 186 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3kcq n LYS 187 N -3.27 0.64 -2.69 -0.67 5.02 -0.84 -4.84 118.16 111.50 3kcq n LYS 187 Ca -0.18 -0.19 -0.43 0.00 -2.02 0.00 0.00 58.31 55.50 3kcq n LYS 187 Cb 0.65 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 3kcq n LYS 187 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kcq s ILE 188 N -3.50 4.58 0.19 -0.18 -1.09 -1.25 -1.44 121.20 118.51 3kcq s ILE 188 Ca -0.07 1.68 0.11 0.00 -2.23 0.00 0.00 60.65 60.13 3kcq s ILE 188 Cb 0.14 -4.36 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 3kcq s ILE 188 CO 0.91 -0.40 -0.20 -0.54 -1.23 0.00 0.00 174.94 173.48 3kcq s LYS 189 N 3.47 1.69 -0.10 2.79 3.01 -0.76 -4.99 119.74 124.85 3kcq s LYS 189 Ca 0.43 -1.46 -0.05 0.00 -1.01 0.00 0.00 55.97 53.88 3kcq s LYS 189 Cb -0.13 -1.94 -0.04 0.00 -1.01 0.00 0.00 37.83 34.72 3kcq s LYS 189 CO 0.14 0.41 0.12 -0.51 0.51 0.00 0.00 175.35 176.01 3kcq s LEU 190 N -2.75 4.22 0.84 3.17 1.02 -1.26 -1.68 118.68 122.24 3kcq s LEU 190 Ca 0.22 0.39 -0.10 0.00 0.02 0.00 0.00 54.13 54.67 3kcq s LEU 190 Cb -0.08 -2.07 0.15 0.00 0.02 0.00 0.00 46.19 44.20 3kcq s LEU 190 CO 0.12 0.39 1.16 0.00 0.02 0.00 0.00 176.35 178.04 3kcq h ASP 192 N -1.10 0.00 0.23 0.00 3.32 -2.00 -3.18 116.42 113.69 3kcq h ASP 192 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3kcq h ASP 192 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3kcq h ASP 192 CO 0.44 0.30 -0.23 -0.90 -1.72 0.00 0.00 179.24 177.13 3kcq n ASP 193 N -4.05 1.02 0.00 6.45 5.68 -1.26 -4.95 116.55 119.44 3kcq n ASP 193 Ca -0.02 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 3kcq n ASP 193 Cb 0.36 0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 3kcq n ASP 193 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kcq n GLY 194 N 1.32 0.87 4.00 6.12 0.00 -1.20 -5.10 105.19 111.20 3kcq n GLY 194 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 3kcq n GLY 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kcq s THR 195 N -2.01 2.51 -0.15 2.61 -4.23 -1.26 -4.72 115.64 108.39 3kcq s THR 195 Ca 0.00 -1.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 3kcq s THR 195 Cb 0.00 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.26 3kcq s THR 195 CO 0.00 0.00 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.22 3kcq s VAL 196 N -2.52 2.50 0.18 2.29 1.01 -1.26 0.11 120.40 122.71 3kcq s VAL 196 Ca 0.56 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.80 3kcq s VAL 196 Cb -0.07 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3kcq s VAL 196 CO 0.34 0.52 -0.18 -1.10 0.00 0.00 0.00 175.10 174.68 3kcq s GLN 197 N 0.84 1.34 -0.31 2.72 1.11 -0.68 -4.94 119.66 119.74 3kcq s GLN 197 Ca -0.05 -1.48 -0.10 0.00 0.01 0.00 0.00 55.36 53.73 3kcq s GLN 197 Cb -0.15 -1.37 -0.01 0.00 -1.01 0.00 0.00 33.01 30.47 3kcq s GLN 197 CO -0.01 0.27 0.17 0.00 0.01 0.00 0.00 175.29 175.73 3kcq n THR 199 N 5.02 3.87 -3.43 0.00 -2.24 -0.52 -4.85 114.28 112.12 3kcq n THR 199 Ca -0.14 -3.89 0.00 0.00 -2.27 0.00 0.00 64.05 57.76 3kcq n THR 199 Cb 0.50 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.28 3kcq n THR 199 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kcq n GLY 200 N 4.65 1.11 0.08 3.38 0.00 -1.26 -4.86 105.19 108.30 3kcq n GLY 200 Ca 0.48 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.79 3kcq n GLY 200 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kcq n GLU 201 N 0.00 0.18 -2.96 1.61 4.71 -1.26 -4.87 120.64 118.05 3kcq n GLU 201 Ca 0.00 0.21 -0.40 0.00 -0.01 0.00 0.00 57.16 56.95 3kcq n GLU 201 Cb 0.00 -1.74 -0.04 0.00 -1.01 0.00 0.00 31.44 28.65 3kcq n GLU 201 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3kcq s ASP 202 N -4.08 7.09 0.39 1.62 1.01 -1.26 -5.06 116.67 116.38 3kcq s ASP 202 Ca 0.10 1.31 0.01 0.00 0.71 0.00 0.00 52.55 54.68 3kcq s ASP 202 Cb 0.13 -2.45 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 3kcq s ASP 202 CO 0.53 -0.15 0.60 -1.61 0.21 0.00 0.00 175.17 174.75 3kcq s GLU 203 N 0.83 3.24 -0.05 8.23 8.01 -1.26 -4.73 118.70 132.97 3kcq s GLU 203 Ca 0.41 -0.48 0.16 0.00 0.01 0.00 0.00 54.97 55.07 3kcq s GLU 203 Cb -0.19 -2.63 0.50 0.00 -4.31 0.00 0.00 34.13 27.51 3kcq s GLU 203 CO 0.21 -0.06 1.42 1.28 0.01 0.00 0.00 175.26 178.12 3kcq n LEU 204 N -1.91 3.69 -4.46 1.80 4.77 -1.26 -4.93 117.00 114.71 3kcq n LEU 204 Ca -0.01 -2.24 -0.28 0.00 -0.03 0.00 0.00 56.01 53.44 3kcq n LEU 204 Cb 0.57 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 41.14 3kcq n LEU 204 CO 0.47 0.80 -0.51 0.72 -1.33 0.00 0.00 177.39 177.54 3kcq s PHE 205 N -1.45 2.43 0.00 -1.77 -0.12 -1.26 -2.29 117.98 113.52 3kcq s PHE 205 Ca 0.37 -0.31 0.00 0.00 -0.05 0.00 0.00 56.93 56.95 3kcq s PHE 205 Cb 0.23 -1.25 -0.00 0.00 -0.63 0.00 0.00 43.02 41.36 3kcq s PHE 205 CO 0.20 0.43 -0.01 -0.51 -0.05 0.00 0.00 175.22 175.28 3kcq s LEU 206 N -2.40 2.05 -0.69 -1.99 1.43 -0.57 -4.98 118.68 111.54 3kcq s LEU 206 Ca 0.19 -0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 3kcq s LEU 206 Cb -0.09 -0.02 0.17 0.00 0.03 0.00 0.00 46.19 46.27 3kcq s LEU 206 CO 0.10 -0.05 0.48 -0.36 0.23 0.00 0.00 176.35 176.75 3kcq s PHE 207 N -0.33 3.51 -1.26 0.29 0.08 -1.26 -0.66 117.98 118.35 3kcq s PHE 207 Ca -0.03 -3.32 -0.19 0.00 0.12 0.00 0.00 56.93 53.51 3kcq s PHE 207 Cb -0.02 -2.68 0.03 0.00 -0.57 0.00 0.00 43.02 39.77 3kcq s PHE 207 CO -0.00 -0.56 1.78 -0.65 -0.10 0.00 0.00 175.22 175.69 3kcq s GLN 208 N -1.38 3.62 0.00 0.44 -1.52 -0.55 -4.96 119.66 115.30 3kcq s GLN 208 Ca 0.25 -1.77 0.31 0.00 -1.95 0.00 0.00 55.36 52.19 3kcq s GLN 208 Cb -0.05 -5.46 1.68 0.00 -0.22 0.00 0.00 33.01 28.95 3kcq s GLN 208 CO -0.16 -2.67 2.10 -1.91 -0.25 0.00 0.00 175.29 172.40