#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i76 s LEU 3 N 0.00 3.30 0.01 1.34 1.43 -1.26 -2.42 118.68 121.08 2i76 s LEU 3 Ca 0.00 -0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.05 2i76 s LEU 3 Cb 0.00 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 2i76 s LEU 3 CO 0.00 0.14 -0.25 0.20 0.23 0.00 0.00 176.35 176.67 2i76 s ASN 4 N 0.55 2.94 0.17 2.29 0.02 -0.98 -1.31 114.94 118.62 2i76 s ASN 4 Ca -0.02 -0.51 0.08 0.00 -1.02 0.00 0.00 52.86 51.39 2i76 s ASN 4 Cb -0.14 -0.29 -0.04 0.00 0.02 0.00 0.00 41.25 40.79 2i76 s ASN 4 CO 0.02 0.27 -0.17 -0.36 0.02 0.00 0.00 177.10 176.88 2i76 s PHE 5 N -0.69 1.76 -0.05 2.20 0.40 -0.74 -1.96 117.98 118.90 2i76 s PHE 5 Ca 0.10 -0.50 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 2i76 s PHE 5 Cb -0.10 -0.87 -0.00 0.00 0.51 0.00 0.00 43.02 42.57 2i76 s PHE 5 CO 0.01 0.32 -0.16 0.08 0.70 0.00 0.00 175.22 176.16 2i76 s VAL 6 N -2.24 1.38 0.00 -0.44 1.01 0.03 -0.85 120.40 119.29 2i76 s VAL 6 Ca 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2i76 s VAL 6 Cb -0.05 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.14 2i76 s VAL 6 CO 0.06 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2i76 n GLY 7 N 3.24 -1.92 0.81 4.51 0.00 0.52 -2.23 105.19 110.12 2i76 n GLY 7 Ca -0.19 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2i76 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i76 n THR 8 N 0.19 0.02 -1.36 2.61 -2.24 -1.26 -4.63 114.28 107.61 2i76 n THR 8 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 2i76 n THR 8 Cb 0.00 -0.32 0.10 0.00 -2.10 0.00 0.00 70.33 68.01 2i76 n THR 8 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2i76 s GLY 9 N 0.24 2.28 0.46 3.38 0.00 -1.26 -4.82 107.32 107.61 2i76 s GLY 9 Ca 0.00 0.85 0.29 0.00 0.00 0.00 0.00 44.72 45.86 2i76 s GLY 9 CO 0.00 1.25 1.72 -0.84 0.00 0.00 0.00 173.10 175.23 2i76 h THR 10 N -0.45 0.33 0.00 0.90 2.02 -1.95 0.35 112.91 114.10 2i76 h THR 10 Ca -0.47 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 2i76 h THR 10 Cb 1.29 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2i76 h THR 10 CO 0.49 0.03 -0.25 0.25 0.37 0.00 0.00 175.52 176.41 2i76 h LEU 11 N 0.17 0.00 0.12 2.58 5.85 -1.92 -3.03 115.31 119.07 2i76 h LEU 11 Ca 0.68 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 59.12 2i76 h LEU 11 Cb 2.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.24 2i76 h LEU 11 CO -0.23 0.25 -1.33 0.71 -0.34 0.00 0.00 178.44 177.49 2i76 h THR 12 N 0.00 1.39 -0.06 1.05 1.35 -0.57 -2.81 112.91 113.26 2i76 h THR 12 Ca -0.00 -2.99 0.02 0.00 -0.55 0.00 0.00 66.41 62.89 2i76 h THR 12 Cb 0.78 2.88 -0.00 0.00 -1.73 0.00 0.00 68.15 70.07 2i76 h THR 12 CO 0.03 0.87 0.10 0.03 -0.25 0.00 0.00 175.52 176.30 2i76 h ARG 13 N 0.07 0.00 0.17 4.72 3.08 -1.40 0.03 114.38 121.05 2i76 h ARG 13 Ca -0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 2i76 h ARG 13 Cb 1.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.03 2i76 h ARG 13 CO 0.19 0.00 -0.08 0.35 -1.07 0.00 0.00 179.97 179.36 2i76 h PHE 14 N 0.00 -0.21 -0.62 3.04 3.57 -1.41 -2.29 116.94 119.02 2i76 h PHE 14 Ca 0.03 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.62 2i76 h PHE 14 Cb 0.23 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 2i76 h PHE 14 CO 0.00 -0.13 0.41 0.74 -2.23 0.00 0.00 178.31 177.10 2i76 h PHE 15 N -0.46 0.46 0.17 0.41 -1.00 -1.37 -2.25 116.94 112.90 2i76 h PHE 15 Ca -0.02 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 2i76 h PHE 15 Cb 0.17 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.58 2i76 h PHE 15 CO 0.06 0.22 -0.08 -0.07 -1.61 0.00 0.00 178.31 176.83 2i76 h LEU 16 N 0.44 -0.19 -0.99 1.54 3.38 -1.09 -3.07 115.31 115.34 2i76 h LEU 16 Ca 0.28 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.43 2i76 h LEU 16 Cb 0.54 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.17 2i76 h LEU 16 CO -0.08 -0.14 -0.34 1.21 0.09 0.00 0.00 178.44 179.18 2i76 n GLU 17 N -2.60 -0.18 -2.39 1.13 4.07 -0.86 -1.63 120.64 118.17 2i76 n GLU 17 Ca -0.03 1.53 -0.40 0.00 -0.06 0.00 0.00 57.16 58.20 2i76 n GLU 17 Cb 0.09 -2.27 0.02 0.00 -0.06 0.00 0.00 31.44 29.22 2i76 n GLU 17 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2i76 n LEU 19 N -0.10 0.00 -4.60 0.00 4.77 -0.65 -4.81 117.00 111.62 2i76 n LEU 19 Ca 0.50 -0.28 -0.45 0.00 -0.03 0.00 0.00 56.01 55.75 2i76 n LEU 19 Cb 0.26 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2i76 n LEU 19 CO 0.52 0.39 1.75 2.29 -1.33 0.00 0.00 177.39 181.01 2i76 n LYS 20 N 0.00 2.05 0.00 3.23 2.85 -1.19 -5.03 118.16 120.07 2i76 n LYS 20 Ca 0.00 0.64 0.00 0.00 -1.05 0.00 0.00 58.31 57.90 2i76 n LYS 20 Cb 0.29 -3.00 0.00 0.00 -0.65 0.00 0.00 35.03 31.66 2i76 n LYS 20 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2i76 n ILE 25 N 6.89 0.00 -3.27 0.58 -0.00 -1.26 -5.19 119.36 117.10 2i76 n ILE 25 Ca 0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 62.75 62.98 2i76 n ILE 25 Cb 0.39 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 39.98 2i76 n ILE 25 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 2i76 s GLY 26 N 0.00 -0.71 0.00 7.39 0.00 -0.43 -4.69 107.32 108.88 2i76 s GLY 26 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.24 2i76 s GLY 26 CO 0.00 3.14 0.00 -1.72 0.00 0.00 0.00 173.10 174.52 2i76 n TYR 27 N 5.37 0.00 -3.96 1.90 4.02 -1.26 -4.24 117.16 118.99 2i76 n TYR 27 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.59 2i76 n TYR 27 Cb 0.50 -1.77 -0.15 0.00 -0.02 0.00 0.00 39.34 37.90 2i76 n TYR 27 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2i76 s ILE 28 N 0.00 1.64 0.15 -0.72 1.01 -1.26 -1.78 121.20 120.24 2i76 s ILE 28 Ca 0.00 -1.33 -0.08 0.00 0.00 0.00 0.00 60.65 59.25 2i76 s ILE 28 Cb 0.00 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.51 2i76 s ILE 28 CO 0.00 -0.12 0.43 -0.76 0.00 0.00 0.00 174.94 174.50 2i76 s LEU 29 N 1.34 4.26 0.17 2.97 1.43 -0.03 -3.69 118.68 125.14 2i76 s LEU 29 Ca -0.05 0.74 -0.18 0.00 -1.03 0.00 0.00 54.13 53.60 2i76 s LEU 29 Cb -0.19 -3.34 0.04 0.00 0.03 0.00 0.00 46.19 42.73 2i76 s LEU 29 CO -0.06 0.05 0.52 -0.55 0.23 0.00 0.00 176.35 176.53 2i76 s SER 30 N -2.24 -0.32 0.40 2.29 0.15 -1.26 -0.36 113.70 112.36 2i76 s SER 30 Ca 0.41 -0.35 0.19 0.00 0.70 0.00 0.00 55.95 56.90 2i76 s SER 30 Cb -0.12 0.56 0.80 0.00 -1.71 0.00 0.00 66.02 65.56 2i76 s SER 30 CO 0.22 -1.00 1.80 0.08 1.20 0.00 0.00 173.24 175.54 2i76 h ARG 31 N 2.19 0.00 -5.54 5.44 -0.00 -1.98 -3.25 114.38 111.24 2i76 h ARG 31 Ca -0.31 0.00 -0.65 0.00 -0.00 0.00 0.00 59.98 59.02 2i76 h ARG 31 Cb 1.27 0.00 -0.08 0.00 -0.00 0.00 0.00 29.97 31.16 2i76 h ARG 31 CO 0.39 0.34 -0.48 0.45 -0.00 0.00 0.00 179.97 180.67 2i76 s SER 32 N -6.49 6.33 0.16 0.08 0.15 -1.26 -4.87 113.70 107.80 2i76 s SER 32 Ca -0.01 0.40 0.03 0.00 0.70 0.00 0.00 55.95 57.07 2i76 s SER 32 Cb 0.12 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 2i76 s SER 32 CO 0.68 0.35 1.35 -0.29 1.20 0.00 0.00 173.24 176.53 2i76 h ILE 33 N 4.17 1.53 0.41 6.45 6.09 -2.00 -2.95 117.51 131.21 2i76 h ILE 33 Ca -0.51 -2.76 -0.02 0.00 -1.37 0.00 0.00 64.86 60.20 2i76 h ILE 33 Cb 1.21 2.55 0.00 0.00 0.47 0.00 0.00 36.82 41.05 2i76 h ILE 33 CO 0.63 0.80 -0.20 0.44 -3.07 0.00 0.00 178.15 176.75 2i76 h ASP 34 N 0.08 -0.47 -1.00 2.19 5.19 -1.97 -0.03 116.42 120.41 2i76 h ASP 34 Ca -0.04 -0.11 0.21 0.00 -0.62 0.00 0.00 57.03 56.47 2i76 h ASP 34 Cb 1.57 0.12 -0.11 0.00 0.18 0.00 0.00 39.33 41.09 2i76 h ASP 34 CO 0.14 -0.13 0.61 0.03 -3.12 0.00 0.00 179.24 176.76 2i76 h ARG 35 N -0.84 0.68 -0.08 3.56 3.08 -1.98 0.48 114.38 119.27 2i76 h ARG 35 Ca -0.06 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.78 2i76 h ARG 35 Cb 0.55 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.46 2i76 h ARG 35 CO 0.09 0.45 -0.64 0.00 -1.07 0.00 0.00 179.97 178.80 2i76 h ALA 36 N 1.67 0.18 0.00 0.04 0.00 -1.49 -3.11 119.26 116.55 2i76 h ALA 36 Ca 0.60 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2i76 h ALA 36 Cb 1.02 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2i76 h ALA 36 CO -0.41 0.47 -0.04 0.00 0.00 0.00 0.00 179.25 179.27 2i76 h ARG 37 N 0.18 0.00 0.08 0.00 3.08 0.12 -1.45 114.38 116.38 2i76 h ARG 37 Ca -0.06 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.74 2i76 h ARG 37 Cb 1.30 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.37 2i76 h ARG 37 CO 0.13 0.04 -1.04 -0.97 -1.07 0.00 0.00 179.97 177.06 2i76 h ASN 38 N 0.00 0.79 0.91 7.04 -0.73 -0.12 -1.62 115.58 121.84 2i76 h ASN 38 Ca -0.00 -0.81 -0.09 0.00 1.87 0.00 0.00 56.30 57.27 2i76 h ASN 38 Cb 0.11 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 2i76 h ASN 38 CO 0.00 1.51 -0.44 -0.07 -0.37 0.00 0.00 177.43 178.06 2i76 h LEU 39 N 0.17 0.00 -0.52 0.34 3.38 -1.45 -1.63 115.31 115.60 2i76 h LEU 39 Ca -0.15 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.65 2i76 h LEU 39 Cb 1.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 2i76 h LEU 39 CO 0.20 0.44 -0.65 0.00 0.09 0.00 0.00 178.44 178.52 2i76 h ALA 40 N 1.56 0.72 -0.17 1.53 0.00 -1.29 0.16 119.26 121.77 2i76 h ALA 40 Ca -0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 2i76 h ALA 40 Cb 1.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2i76 h ALA 40 CO 0.06 0.74 -0.27 1.49 0.00 0.00 0.00 179.25 181.27 2i76 h GLU 41 N 0.25 0.32 0.00 0.00 4.81 -0.78 0.44 114.58 119.62 2i76 h GLU 41 Ca -0.01 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2i76 h GLU 41 Cb 1.19 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2i76 h GLU 41 CO 0.11 0.56 -1.17 0.28 -0.73 0.00 0.00 179.01 178.06 2i76 n VAL 42 N -4.14 0.25 0.00 0.32 0.31 -0.66 -4.75 118.33 109.67 2i76 n VAL 42 Ca -0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 2i76 n VAL 42 Cb 0.39 0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 2i76 n VAL 42 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2i76 n TYR 43 N -2.17 0.00 0.00 3.52 4.02 0.53 -5.07 117.16 118.00 2i76 n TYR 43 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2i76 n TYR 43 Cb 0.48 0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.97 2i76 n TYR 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2i76 n GLY 44 N 2.20 1.79 0.00 2.72 0.00 0.15 -4.99 105.19 107.06 2i76 n GLY 44 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2i76 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i76 n GLY 45 N 0.00 2.04 0.00 -0.02 0.00 -1.24 -4.07 105.19 101.91 2i76 n GLY 45 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2i76 n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i76 n LYS 46 N 0.00 0.00 -3.11 1.61 4.01 -1.26 -4.71 118.16 114.70 2i76 n LYS 46 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2i76 n LYS 46 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2i76 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2i76 n ALA 47 N -3.00 0.00 -0.93 7.82 0.00 -1.24 -4.04 120.51 119.11 2i76 n ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2i76 n ALA 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2i76 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i76 n ALA 48 N 0.00 -1.41 -0.41 0.00 0.00 -1.26 -4.30 120.51 113.12 2i76 n ALA 48 Ca 0.00 0.29 0.08 0.00 0.00 0.00 0.00 53.44 53.81 2i76 n ALA 48 Cb 0.00 -1.07 0.25 0.00 0.00 0.00 0.00 19.45 18.63 2i76 n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2i76 n THR 49 N -2.01 1.33 -2.44 0.00 -1.04 -1.22 -2.82 114.28 106.07 2i76 n THR 49 Ca 0.00 -1.14 -0.13 0.00 -2.04 0.00 0.00 64.05 60.74 2i76 n THR 49 Cb 0.25 0.34 0.03 0.00 -1.82 0.00 0.00 70.33 69.13 2i76 n THR 49 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2i76 n LEU 50 N 0.81 3.26 0.00 -4.42 4.77 -1.26 -4.99 117.00 115.17 2i76 n LEU 50 Ca 0.19 -3.98 -0.23 0.00 -0.03 0.00 0.00 56.01 51.97 2i76 n LEU 50 Cb 0.63 0.05 0.21 0.00 -2.33 0.00 0.00 43.42 41.98 2i76 n LEU 50 CO 0.14 1.62 0.34 -1.84 -1.33 0.00 0.00 177.39 176.33 2i76 n GLU 51 N -0.61 -3.57 0.00 3.23 -0.00 -1.13 -5.08 120.64 113.48 2i76 n GLU 51 Ca 0.26 -1.19 0.00 0.00 -0.00 0.00 0.00 57.16 56.23 2i76 n GLU 51 Cb 0.87 -1.35 0.00 0.00 -0.00 0.00 0.00 31.44 30.95 2i76 n GLU 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2i76 n LYS 52 N -4.54 0.00 -2.71 3.44 5.02 -1.26 -5.02 118.16 113.08 2i76 n LYS 52 Ca 0.11 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.33 2i76 n LYS 52 Cb 0.45 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.55 2i76 n LYS 52 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2i76 n HIS 53 N 0.00 -2.17 -0.90 2.13 -0.00 -1.26 -5.08 115.22 107.94 2i76 n HIS 53 Ca 0.00 -1.60 -0.35 0.00 -0.00 0.00 0.00 57.72 55.77 2i76 n HIS 53 Cb 0.00 1.47 0.08 0.00 -0.00 0.00 0.00 29.99 31.54 2i76 n HIS 53 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2i76 n PRO 54 N 0.73 -0.22 0.00 1.57 -0.02 -1.26 -4.72 135.00 131.08 2i76 n PRO 54 Ca 0.03 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2i76 n PRO 54 Cb 0.70 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 2i76 n PRO 54 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2i76 n GLU 55 N 0.50 0.00 -1.67 -0.52 -0.00 -1.26 -3.87 120.64 113.82 2i76 n GLU 55 Ca 0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 57.16 56.80 2i76 n GLU 55 Cb 0.57 0.00 0.06 0.00 -0.00 0.00 0.00 31.44 32.07 2i76 n GLU 55 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2i76 n VAL 59 N 0.00 4.24 -3.90 3.84 0.24 -1.02 -4.50 118.33 117.24 2i76 n VAL 59 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.50 2i76 n VAL 59 Cb 0.00 -1.34 -0.16 0.00 -1.47 0.00 0.00 33.84 30.88 2i76 n VAL 59 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2i76 s VAL 60 N -1.44 1.42 -0.28 3.34 1.01 0.05 -2.32 120.40 122.19 2i76 s VAL 60 Ca 0.78 -1.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 2i76 s VAL 60 Cb -0.40 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.19 2i76 s VAL 60 CO 0.44 -0.25 1.04 -0.36 0.00 0.00 0.00 175.10 175.98 2i76 s PHE 61 N 1.42 3.23 -1.03 5.22 0.40 -0.83 -2.11 117.98 124.28 2i76 s PHE 61 Ca -0.01 1.29 -0.07 0.00 -0.60 0.00 0.00 56.93 57.53 2i76 s PHE 61 Cb -0.18 -3.48 0.26 0.00 0.51 0.00 0.00 43.02 40.13 2i76 s PHE 61 CO -0.09 -0.63 1.00 0.08 0.70 0.00 0.00 175.22 176.28 2i76 s VAL 62 N 3.41 5.51 -1.21 -0.44 1.01 -0.02 -0.79 120.40 127.87 2i76 s VAL 62 Ca 0.44 -3.51 -0.12 0.00 0.00 0.00 0.00 61.98 58.79 2i76 s VAL 62 Cb -0.13 -4.34 0.19 0.00 0.00 0.00 0.00 36.38 32.10 2i76 s VAL 62 CO 0.11 -1.15 1.45 -0.38 0.00 0.00 0.00 175.10 175.13 2i76 n ILE 63 N 2.66 4.33 -4.03 2.22 5.41 -0.95 -4.53 119.36 124.47 2i76 n ILE 63 Ca 0.23 -4.80 -0.08 0.00 1.00 0.00 0.00 62.75 59.10 2i76 n ILE 63 Cb 0.39 -2.46 -0.09 0.00 -0.71 0.00 0.00 39.64 36.76 2i76 n ILE 63 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2i76 s VAL 64 N 0.97 0.20 0.05 1.39 -7.23 -1.26 -4.44 120.40 110.07 2i76 s VAL 64 Ca 0.41 -1.62 -0.22 0.00 -1.81 0.00 0.00 61.98 58.74 2i76 s VAL 64 Cb -0.02 -1.42 -0.12 0.00 0.56 0.00 0.00 36.38 35.38 2i76 s VAL 64 CO -0.01 -0.89 0.54 -2.65 -0.31 0.00 0.00 175.10 171.79 2i76 n PRO 65 N 0.14 0.00 0.19 4.82 -0.02 -1.26 -4.55 135.00 134.32 2i76 n PRO 65 Ca -0.15 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.46 2i76 n PRO 65 Cb 0.61 -0.83 0.43 0.00 -0.02 0.00 0.00 33.50 33.69 2i76 n PRO 65 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2i76 h ASP 66 N 1.41 0.00 1.22 2.55 5.19 -2.00 -0.21 116.42 124.59 2i76 h ASP 66 Ca -0.27 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.11 2i76 h ASP 66 Cb 0.91 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 2i76 h ASP 66 CO 0.39 0.00 -0.17 -0.09 -3.12 0.00 0.00 179.24 176.26 2i76 h ARG 67 N 0.00 0.00 0.00 3.56 2.43 -2.04 -3.35 114.38 114.98 2i76 h ARG 67 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2i76 h ARG 67 Cb 1.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 2i76 h ARG 67 CO -0.00 0.17 0.00 0.66 -1.51 0.00 0.00 179.97 179.29 2i76 n TYR 68 N -3.24 0.00 -0.27 2.20 4.02 -0.10 -4.82 117.16 114.95 2i76 n TYR 68 Ca 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2i76 n TYR 68 Cb 0.46 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.84 2i76 n TYR 68 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 2i76 h ILE 69 N 0.06 0.18 0.54 -0.72 2.04 -1.68 0.16 117.51 118.09 2i76 h ILE 69 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2i76 h ILE 69 Cb 0.03 0.18 0.01 0.00 -0.74 0.00 0.00 36.82 36.29 2i76 h ILE 69 CO 0.00 0.00 -0.26 0.50 0.00 0.00 0.00 178.15 178.39 2i76 h LYS 70 N -0.05 -0.70 -0.19 2.37 3.64 -1.87 -1.44 116.57 118.33 2i76 h LYS 70 Ca 0.33 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.78 2i76 h LYS 70 Cb 0.57 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 2i76 h LYS 70 CO -0.79 -0.47 -0.30 0.00 -2.27 0.00 0.00 179.45 175.62 2i76 h THR 71 N -0.88 0.00 -0.79 1.00 1.03 -1.82 -1.07 112.91 110.38 2i76 h THR 71 Ca -0.07 0.00 0.18 0.00 -0.01 0.00 0.00 66.41 66.51 2i76 h THR 71 Cb 0.56 0.00 -0.14 0.00 -1.07 0.00 0.00 68.15 67.49 2i76 h THR 71 CO 0.12 0.00 -0.03 0.58 -0.01 0.00 0.00 175.52 176.18 2i76 h VAL 72 N -0.24 0.28 0.00 0.00 2.07 -0.78 0.96 116.25 118.55 2i76 h VAL 72 Ca 0.03 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2i76 h VAL 72 Cb 0.33 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2i76 h VAL 72 CO -0.30 0.01 -0.00 0.00 0.02 0.00 0.00 177.57 177.30 2i76 h ALA 73 N 1.75 1.01 -0.15 1.67 0.00 -0.26 0.18 119.26 123.47 2i76 h ALA 73 Ca 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2i76 h ALA 73 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2i76 h ALA 73 CO -0.72 0.00 0.00 0.09 0.00 0.00 0.00 179.25 178.62 2i76 n ASN 74 N -3.10 2.58 -0.21 0.00 4.13 0.33 -3.58 115.26 115.40 2i76 n ASN 74 Ca -0.02 -1.85 0.02 0.00 1.68 0.00 0.00 54.58 54.41 2i76 n ASN 74 Cb 0.11 -0.08 0.05 0.00 -1.54 0.00 0.00 39.78 38.31 2i76 n ASN 74 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2i76 n HIS 75 N 0.97 0.13 -0.05 3.10 -0.00 0.59 -4.53 115.22 115.43 2i76 n HIS 75 Ca 0.17 -0.41 -0.19 0.00 0.46 0.00 0.00 57.72 57.75 2i76 n HIS 75 Cb 0.50 -0.03 -0.13 0.00 -0.12 0.00 0.00 29.99 30.21 2i76 n HIS 75 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2i76 n LEU 76 N -0.08 2.51 -0.93 0.27 4.77 -0.87 -5.01 117.00 117.66 2i76 n LEU 76 Ca 0.04 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2i76 n LEU 76 Cb 0.27 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2i76 n LEU 76 CO 0.03 0.84 0.00 0.59 -1.33 0.00 0.00 177.39 177.51 2i76 n ASN 77 N -3.33 -2.10 -3.96 -1.43 5.03 -1.26 -4.97 115.26 103.24 2i76 n ASN 77 Ca -0.36 0.31 -0.09 0.00 0.87 0.00 0.00 54.58 55.31 2i76 n ASN 77 Cb 1.03 -0.49 -0.05 0.00 -1.02 0.00 0.00 39.78 39.25 2i76 n ASN 77 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2i76 s LEU 78 N 0.00 0.24 -0.06 3.41 1.43 -1.26 -4.96 118.68 117.47 2i76 s LEU 78 Ca 0.00 -0.85 0.04 0.00 -1.03 0.00 0.00 54.13 52.29 2i76 s LEU 78 Cb 0.00 1.91 -0.02 0.00 0.03 0.00 0.00 46.19 48.11 2i76 s LEU 78 CO 0.00 -1.16 -0.17 -0.83 0.23 0.00 0.00 176.35 174.42 2i76 s GLY 79 N -2.99 1.47 -0.32 -3.19 0.00 -1.25 -4.86 107.32 96.17 2i76 s GLY 79 Ca 0.20 -0.99 -0.03 0.00 0.00 0.00 0.00 44.72 43.89 2i76 s GLY 79 CO 0.08 -0.67 0.13 1.34 0.00 0.00 0.00 173.10 173.98 2i76 n ASP 80 N 2.64 -7.67 -3.42 1.64 2.03 -1.26 -4.57 116.55 105.94 2i76 n ASP 80 Ca -0.17 1.17 0.01 0.00 0.52 0.00 0.00 54.79 56.32 2i76 n ASP 80 Cb 0.52 -5.10 -0.04 0.00 -0.72 0.00 0.00 41.12 35.77 2i76 n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2i76 s ALA 81 N -1.75 -2.70 0.25 -1.67 0.00 -1.26 -4.47 121.76 110.15 2i76 s ALA 81 Ca 0.05 2.05 -0.30 0.00 0.00 0.00 0.00 51.96 53.76 2i76 s ALA 81 Cb -0.01 -2.03 -0.09 0.00 0.00 0.00 0.00 23.12 20.98 2i76 s ALA 81 CO 0.74 -0.87 1.28 0.08 0.00 0.00 0.00 175.76 176.99 2i76 s VAL 82 N 2.25 3.11 -0.07 0.00 1.01 -1.26 -4.77 120.40 120.67 2i76 s VAL 82 Ca -0.03 0.99 -0.04 0.00 0.00 0.00 0.00 61.98 62.90 2i76 s VAL 82 Cb -0.05 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2i76 s VAL 82 CO -0.17 0.18 0.09 -0.76 0.00 0.00 0.00 175.10 174.45 2i76 s LEU 83 N -0.77 4.05 -0.12 3.92 1.43 0.10 -0.77 118.68 126.52 2i76 s LEU 83 Ca 0.53 0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 53.82 2i76 s LEU 83 Cb -0.37 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 43.79 2i76 s LEU 83 CO 0.43 0.35 0.32 0.68 0.23 0.00 0.00 176.35 178.36 2i76 s VAL 84 N -1.06 -0.01 0.36 -1.59 -7.23 -0.90 -0.07 120.40 109.91 2i76 s VAL 84 Ca 0.18 0.03 0.05 0.00 -1.81 0.00 0.00 61.98 60.43 2i76 s VAL 84 Cb -0.12 -0.46 -0.07 0.00 0.56 0.00 0.00 36.38 36.29 2i76 s VAL 84 CO 0.07 0.01 0.04 -1.38 -0.31 0.00 0.00 175.10 173.53 2i76 s HIS 85 N 0.49 2.21 -0.23 2.82 -3.43 -1.18 -0.84 115.29 115.13 2i76 s HIS 85 Ca -0.03 -0.83 0.16 0.00 -0.80 0.00 0.00 55.06 53.56 2i76 s HIS 85 Cb -0.04 -1.50 0.45 0.00 -1.43 0.00 0.00 32.58 30.05 2i76 s HIS 85 CO -0.03 0.20 1.34 0.00 -2.00 0.00 0.00 174.74 174.26 2i76 n SER 87 N -0.62 3.83 0.19 0.00 2.88 -1.26 -4.49 113.62 114.15 2i76 n SER 87 Ca 0.19 1.11 0.10 0.00 -1.33 0.00 0.00 58.87 58.94 2i76 n SER 87 Cb 0.79 -1.57 0.12 0.00 -0.75 0.00 0.00 64.21 62.80 2i76 n SER 87 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2i76 h GLY 88 N 5.57 0.00 0.00 0.46 0.00 -1.95 -3.39 103.07 103.76 2i76 h GLY 88 Ca -0.45 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 2i76 h GLY 88 CO 0.86 0.00 -1.15 0.33 0.00 0.00 0.00 176.54 176.58 2i76 n PHE 89 N -3.07 0.00 -1.52 5.60 7.35 -1.26 -4.02 117.46 120.54 2i76 n PHE 89 Ca 0.03 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.37 2i76 n PHE 89 Cb 0.58 -0.53 0.08 0.00 0.35 0.00 0.00 39.48 39.96 2i76 n PHE 89 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2i76 s LEU 90 N -7.77 3.37 0.19 -2.13 1.43 -1.26 -4.32 118.68 108.18 2i76 s LEU 90 Ca -0.28 2.35 0.06 0.00 -1.03 0.00 0.00 54.13 55.23 2i76 s LEU 90 Cb 0.05 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 2i76 s LEU 90 CO 0.41 -2.15 0.15 -0.55 0.23 0.00 0.00 176.35 174.44 2i76 s SER 91 N -1.99 5.50 0.21 2.29 0.15 -1.26 -4.65 113.70 113.94 2i76 s SER 91 Ca 0.75 -0.17 -0.10 0.00 0.70 0.00 0.00 55.95 57.12 2i76 s SER 91 Cb -0.29 -1.42 0.28 0.00 -1.71 0.00 0.00 66.02 62.88 2i76 s SER 91 CO 0.44 0.04 1.71 0.77 1.20 0.00 0.00 173.24 177.39 2i76 h SER 92 N 2.15 0.02 0.00 5.45 4.64 -1.80 -0.92 113.55 123.10 2i76 h SER 92 Ca -0.48 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2i76 h SER 92 Cb 1.21 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2i76 h SER 92 CO 0.62 0.02 0.74 -0.33 -0.87 0.00 0.00 176.83 177.02 2i76 h GLU 93 N 0.27 0.00 0.00 4.77 5.08 -1.92 0.29 114.58 123.06 2i76 h GLU 93 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2i76 h GLU 93 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2i76 h GLU 93 CO -0.38 0.00 0.00 1.51 -1.00 0.00 0.00 179.01 179.14 2i76 n ILE 94 N -2.38 1.07 0.16 3.13 3.06 -0.35 -1.68 119.36 122.38 2i76 n ILE 94 Ca -0.00 0.50 0.08 0.00 -2.50 0.00 0.00 62.75 60.83 2i76 n ILE 94 Cb 0.76 -1.45 0.08 0.00 0.54 0.00 0.00 39.64 39.56 2i76 n ILE 94 CO 0.00 0.00 0.00 -0.26 -2.50 0.00 0.00 176.55 173.79 2i76 h PHE 95 N 0.00 0.00 -6.80 9.51 0.05 -0.65 -3.46 116.94 115.59 2i76 h PHE 95 Ca 0.00 0.00 -0.53 0.00 3.82 0.00 0.00 57.97 61.26 2i76 h PHE 95 Cb 0.15 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.09 2i76 h PHE 95 CO 0.00 0.18 -1.04 1.63 -0.18 0.00 0.00 178.31 178.90 2i76 n LYS 96 N -3.05 -0.97 -3.85 1.51 4.76 -0.68 -4.98 118.16 110.92 2i76 n LYS 96 Ca 0.02 0.46 -0.10 0.00 -2.87 0.00 0.00 58.31 55.83 2i76 n LYS 96 Cb 0.61 -2.47 -0.06 0.00 -1.84 0.00 0.00 35.03 31.27 2i76 n LYS 96 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2i76 s LYS 97 N -6.02 1.22 0.35 1.97 2.20 -1.26 -5.08 119.74 113.12 2i76 s LYS 97 Ca 0.23 -1.01 0.15 0.00 -0.36 0.00 0.00 55.97 54.98 2i76 s LYS 97 Cb -0.12 0.44 0.65 0.00 -1.51 0.00 0.00 37.83 37.29 2i76 s LYS 97 CO 0.93 -0.47 1.75 1.03 -0.36 0.00 0.00 175.35 178.22 2i76 h SER 98 N 2.41 0.00 -4.19 1.43 0.87 -1.98 -3.38 113.55 108.71 2i76 h SER 98 Ca -0.31 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.61 2i76 h SER 98 Cb 1.24 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.79 2i76 h SER 98 CO 0.44 0.43 -0.61 -0.83 -0.53 0.00 0.00 176.83 175.73 2i76 s GLY 99 N -4.36 2.53 0.38 5.77 0.00 -1.26 -4.78 107.32 105.60 2i76 s GLY 99 Ca -0.01 -3.36 0.04 0.00 0.00 0.00 0.00 44.72 41.39 2i76 s GLY 99 CO 0.71 1.02 0.06 1.09 0.00 0.00 0.00 173.10 175.98 2i76 s ARG 100 N -0.46 1.84 0.04 2.90 1.70 -1.26 0.03 118.95 123.74 2i76 s ARG 100 Ca 0.18 -2.07 -0.28 0.00 -0.47 0.00 0.00 55.73 53.09 2i76 s ARG 100 Cb -0.23 -1.05 0.10 0.00 -0.57 0.00 0.00 34.95 33.21 2i76 s ARG 100 CO -0.02 -0.25 1.20 0.00 -1.08 0.00 0.00 175.30 175.15 2i76 s ALA 101 N -3.11 -2.11 -0.19 7.88 0.00 0.89 0.15 121.76 125.28 2i76 s ALA 101 Ca 0.29 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.51 2i76 s ALA 101 Cb 0.07 0.57 0.09 0.00 0.00 0.00 0.00 23.12 23.85 2i76 s ALA 101 CO 0.14 -1.08 0.37 0.45 0.00 0.00 0.00 175.76 175.65 2i76 s SER 102 N -3.21 -0.03 -0.19 0.00 0.15 0.13 -3.09 113.70 107.45 2i76 s SER 102 Ca 0.18 0.80 0.01 0.00 0.70 0.00 0.00 55.95 57.64 2i76 s SER 102 Cb 0.02 1.15 0.02 0.00 -1.71 0.00 0.00 66.02 65.50 2i76 s SER 102 CO -0.01 -0.24 -0.18 -0.51 1.20 0.00 0.00 173.24 173.50 2i76 s ILE 103 N 2.55 2.15 -0.26 6.45 2.07 -0.21 -1.44 121.20 132.52 2i76 s ILE 103 Ca 0.01 -1.02 0.03 0.00 -1.41 0.00 0.00 60.65 58.25 2i76 s ILE 103 Cb -0.12 -1.96 0.06 0.00 0.13 0.00 0.00 42.46 40.57 2i76 s ILE 103 CO -0.12 0.45 -0.09 -2.28 -1.91 0.00 0.00 174.94 170.99 2i76 s HIS 104 N 1.27 3.18 -0.27 3.50 5.65 0.31 -3.90 115.29 125.03 2i76 s HIS 104 Ca 0.03 -2.30 -0.27 0.00 0.25 0.00 0.00 55.06 52.78 2i76 s HIS 104 Cb -0.14 -1.95 0.01 0.00 -1.18 0.00 0.00 32.58 29.31 2i76 s HIS 104 CO -0.11 -0.87 0.94 -1.25 -0.65 0.00 0.00 174.74 172.80 2i76 s PRO 105 N 1.13 4.15 -0.98 2.88 0.04 -1.26 0.08 135.00 141.03 2i76 s PRO 105 Ca -0.07 1.04 -0.23 0.00 0.04 0.00 0.00 61.00 61.78 2i76 s PRO 105 Cb -0.20 -3.68 0.06 0.00 0.04 0.00 0.00 34.50 30.72 2i76 s PRO 105 CO -0.05 -0.66 1.40 -0.80 0.04 0.00 0.00 177.00 176.92 2i76 s ASN 106 N 1.41 6.48 -0.13 6.66 -0.87 -1.12 -4.84 114.94 122.53 2i76 s ASN 106 Ca 0.40 -1.42 -0.33 0.00 -1.57 0.00 0.00 52.86 49.93 2i76 s ASN 106 Cb -0.14 -2.55 0.13 0.00 -0.02 0.00 0.00 41.25 38.66 2i76 s ASN 106 CO 0.09 -1.49 1.11 0.12 -2.57 0.00 0.00 177.10 174.36 2i76 s PHE 107 N 4.79 -0.19 -0.18 2.20 2.19 -1.26 -4.64 117.98 120.89 2i76 s PHE 107 Ca 0.43 0.11 -0.05 0.00 0.33 0.00 0.00 56.93 57.76 2i76 s PHE 107 Cb -0.01 0.52 -0.03 0.00 -1.31 0.00 0.00 43.02 42.19 2i76 s PHE 107 CO -0.08 -0.32 -0.01 0.45 1.83 0.00 0.00 175.22 177.09 2i76 s SER 108 N -2.30 4.85 -0.44 6.13 0.15 -1.26 -5.18 113.70 115.66 2i76 s SER 108 Ca 0.08 -0.16 -0.08 0.00 0.70 0.00 0.00 55.95 56.49 2i76 s SER 108 Cb -0.01 -1.81 0.10 0.00 -1.71 0.00 0.00 66.02 62.59 2i76 s SER 108 CO -0.06 0.11 0.28 -0.36 1.20 0.00 0.00 173.24 174.42 2i76 s PHE 109 N 0.70 3.39 0.19 3.44 0.40 -1.26 -4.95 117.98 119.90 2i76 s PHE 109 Ca -0.01 -1.75 -0.32 0.00 -0.60 0.00 0.00 56.93 54.26 2i76 s PHE 109 Cb -0.14 -3.18 -0.16 0.00 0.51 0.00 0.00 43.02 40.05 2i76 s PHE 109 CO 0.02 -0.92 1.00 -0.11 0.70 0.00 0.00 175.22 175.92 2i76 n LEU 112 N 4.88 0.93 -0.19 -0.37 0.00 -1.26 -5.10 117.00 115.88 2i76 n LEU 112 Ca -0.09 1.15 -0.07 0.00 0.00 0.00 0.00 56.01 57.01 2i76 n LEU 112 Cb 0.42 -1.15 0.03 0.00 0.00 0.00 0.00 43.42 42.71 2i76 n LEU 112 CO 0.40 -1.69 1.09 -0.08 0.00 0.00 0.00 177.39 177.11 2i76 h GLU 113 N 2.61 0.75 0.00 1.96 4.57 -1.95 -3.14 114.58 119.39 2i76 h GLU 113 Ca -0.40 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2i76 h GLU 113 Cb 1.37 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2i76 h GLU 113 CO 0.65 0.53 -0.61 0.87 -1.18 0.00 0.00 179.01 179.27 2i76 h LYS 114 N 0.76 0.00 -0.11 1.92 6.56 -2.00 -3.10 116.57 120.59 2i76 h LYS 114 Ca 0.20 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.83 2i76 h LYS 114 Cb -0.04 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.61 2i76 h LYS 114 CO -0.04 0.00 0.21 0.00 -2.06 0.00 0.00 179.45 177.56 2i76 h ALA 115 N 2.02 1.55 0.00 3.86 0.00 -1.95 0.53 119.26 125.27 2i76 h ALA 115 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2i76 h ALA 115 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2i76 h ALA 115 CO 0.00 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.27 2i76 n LEU 116 N -3.44 2.41 -3.61 0.00 4.77 -1.17 -4.50 117.00 111.46 2i76 n LEU 116 Ca 0.00 -1.15 -0.40 0.00 -0.03 0.00 0.00 56.01 54.43 2i76 n LEU 116 Cb 0.30 -0.45 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 2i76 n LEU 116 CO 0.23 0.43 1.38 1.21 -1.33 0.00 0.00 177.39 179.30 2i76 n GLU 117 N 1.00 5.34 0.00 3.23 2.13 0.19 -4.92 120.64 127.61 2i76 n GLU 117 Ca 0.00 -4.68 0.00 0.00 0.66 0.00 0.00 57.16 53.14 2i76 n GLU 117 Cb 0.32 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.57 2i76 n GLU 117 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2i76 n LYS 119 N -0.05 0.00 0.28 5.31 -0.00 -1.26 -4.95 118.16 117.48 2i76 n LYS 119 Ca 0.46 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.89 2i76 n LYS 119 Cb 0.27 0.00 0.79 0.00 -0.00 0.00 0.00 35.03 36.08 2i76 n LYS 119 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2i76 h ASP 120 N 0.98 0.00 -2.04 -5.58 3.04 -1.92 -3.23 116.42 107.68 2i76 h ASP 120 Ca 0.00 0.00 -0.65 0.00 -3.24 0.00 0.00 57.03 53.14 2i76 h ASP 120 Cb 0.00 0.00 -0.37 0.00 -1.04 0.00 0.00 39.33 37.92 2i76 h ASP 120 CO 0.00 0.04 -0.15 0.00 -2.04 0.00 0.00 179.24 177.09 2i76 n GLN 121 N -3.99 3.65 -3.90 4.15 10.64 -1.26 -4.69 117.38 121.98 2i76 n GLN 121 Ca -0.03 -4.58 -0.30 0.00 -1.83 0.00 0.00 57.00 50.26 2i76 n GLN 121 Cb 0.13 -2.29 -0.15 0.00 -0.86 0.00 0.00 30.24 27.07 2i76 n GLN 121 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2i76 s ILE 122 N -4.81 1.65 0.01 -0.39 1.01 -1.22 -5.07 121.20 112.38 2i76 s ILE 122 Ca 0.47 -1.85 -0.30 0.00 0.00 0.00 0.00 60.65 58.97 2i76 s ILE 122 Cb 0.31 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 2i76 s ILE 122 CO -0.18 -0.57 1.27 -0.69 0.00 0.00 0.00 174.94 174.77 2i76 s VAL 123 N 1.23 3.96 -0.04 2.92 1.01 -1.26 -4.65 120.40 123.57 2i76 s VAL 123 Ca 0.08 1.35 -0.09 0.00 0.00 0.00 0.00 61.98 63.33 2i76 s VAL 123 Cb -0.18 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 2i76 s VAL 123 CO -0.14 0.04 0.25 -0.36 0.00 0.00 0.00 175.10 174.89 2i76 s PHE 124 N 1.86 3.62 -0.47 5.22 0.40 -0.56 -2.81 117.98 125.25 2i76 s PHE 124 Ca 0.60 0.66 -0.11 0.00 -0.60 0.00 0.00 56.93 57.48 2i76 s PHE 124 Cb -0.29 -2.04 0.10 0.00 0.51 0.00 0.00 43.02 41.30 2i76 s PHE 124 CO 0.26 0.67 0.35 0.20 0.70 0.00 0.00 175.22 177.39 2i76 s GLY 125 N -1.30 2.03 0.34 4.36 0.00 0.11 -1.44 107.32 111.42 2i76 s GLY 125 Ca 0.22 -2.37 0.07 0.00 0.00 0.00 0.00 44.72 42.64 2i76 s GLY 125 CO 0.11 1.07 0.47 1.08 0.00 0.00 0.00 173.10 175.83 2i76 s LEU 126 N 1.45 3.91 0.00 0.66 1.43 -1.03 -0.53 118.68 124.57 2i76 s LEU 126 Ca 0.04 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2i76 s LEU 126 Cb -0.26 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.26 2i76 s LEU 126 CO 0.02 -0.46 0.00 1.21 0.23 0.00 0.00 176.35 177.34 2i76 n GLU 127 N -1.65 0.00 -2.57 1.70 0.00 -0.52 -2.23 120.64 115.37 2i76 n GLU 127 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.12 2i76 n GLU 127 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 32.00 2i76 n GLU 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2i76 n GLY 128 N 0.00 3.67 3.40 8.31 0.00 -1.26 0.18 105.19 119.48 2i76 n GLY 128 Ca 0.00 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 2i76 n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2i76 s ASP 129 N -1.62 -0.47 0.03 1.61 -1.08 0.41 -4.53 116.67 111.02 2i76 s ASP 129 Ca 0.10 0.73 -0.26 0.00 -0.52 0.00 0.00 52.55 52.61 2i76 s ASP 129 Cb 0.00 -1.01 -0.17 0.00 -1.46 0.00 0.00 42.92 40.28 2i76 s ASP 129 CO 0.07 -4.99 1.40 1.05 0.52 0.00 0.00 175.17 173.23 2i76 h GLU 130 N -3.17 -0.32 -0.00 4.34 -0.00 -1.86 -1.21 114.58 112.36 2i76 h GLU 130 Ca -0.43 0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.95 2i76 h GLU 130 Cb 1.32 0.07 0.00 0.00 -0.00 0.00 0.00 28.75 30.14 2i76 h GLU 130 CO 0.29 -0.04 -0.48 2.89 -0.00 0.00 0.00 179.01 181.67 2i76 n ARG 131 N -5.13 0.47 0.09 1.06 1.85 -1.26 -3.90 116.66 109.84 2i76 n ARG 131 Ca -0.09 -0.31 0.08 0.00 -1.00 0.00 0.00 57.85 56.52 2i76 n ARG 131 Cb 0.22 -1.49 -0.02 0.00 -1.05 0.00 0.00 32.46 30.12 2i76 n ARG 131 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2i76 h GLY 132 N 4.95 0.00 0.62 2.89 0.00 -1.66 -3.39 103.07 106.49 2i76 h GLY 132 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2i76 h GLY 132 CO 0.00 0.00 -0.05 -2.00 0.00 0.00 0.00 176.54 174.49 2i76 h LEU 133 N 0.00 -0.12 -2.40 3.11 5.85 -1.33 -3.06 115.31 117.37 2i76 h LEU 133 Ca -0.04 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2i76 h LEU 133 Cb 1.16 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2i76 h LEU 133 CO 0.01 0.26 0.08 1.55 -0.34 0.00 0.00 178.44 180.01 2i76 h PRO 134 N -0.51 0.00 -0.13 5.25 0.13 -1.76 0.18 132.00 135.15 2i76 h PRO 134 Ca -0.01 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.91 2i76 h PRO 134 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2i76 h PRO 134 CO 0.02 0.00 -0.75 0.82 -0.23 0.00 0.00 178.00 177.87 2i76 h ILE 135 N 0.00 1.32 0.06 -3.56 2.04 -1.74 -1.23 117.51 114.40 2i76 h ILE 135 Ca 0.00 -2.02 -0.30 0.00 1.00 0.00 0.00 64.86 63.53 2i76 h ILE 135 Cb 0.16 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 2i76 h ILE 135 CO 0.00 0.63 -1.63 0.58 0.00 0.00 0.00 178.15 177.73 2i76 h VAL 136 N 0.44 0.99 -0.90 1.67 2.07 -1.39 -3.16 116.25 115.97 2i76 h VAL 136 Ca -0.04 -2.74 0.03 0.00 0.82 0.00 0.00 66.70 64.77 2i76 h VAL 136 Cb 1.35 2.59 -0.05 0.00 -1.52 0.00 0.00 31.29 33.66 2i76 h VAL 136 CO 0.14 0.72 0.59 0.50 0.02 0.00 0.00 177.57 179.54 2i76 h LYS 137 N 0.04 1.12 -0.46 1.57 3.64 -0.71 -1.42 116.57 120.34 2i76 h LYS 137 Ca -0.27 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 58.97 2i76 h LYS 137 Cb 1.99 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 33.54 2i76 h LYS 137 CO 0.11 0.74 0.02 -0.22 -2.27 0.00 0.00 179.45 177.84 2i76 h LYS 138 N 1.16 0.80 -0.45 1.90 1.63 -1.31 -2.85 116.57 117.44 2i76 h LYS 138 Ca 0.35 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 2i76 h LYS 138 Cb -0.04 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 2i76 h LYS 138 CO -0.10 0.84 0.04 0.82 -3.45 0.00 0.00 179.45 177.60 2i76 h ILE 139 N 0.65 1.25 -0.68 2.00 2.04 -1.38 -2.85 117.51 118.54 2i76 h ILE 139 Ca 0.13 -0.97 -0.07 0.00 1.00 0.00 0.00 64.86 64.95 2i76 h ILE 139 Cb 0.47 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2i76 h ILE 139 CO 0.02 0.34 0.14 0.00 0.00 0.00 0.00 178.15 178.64 2i76 h ALA 140 N 0.93 0.96 -0.55 1.87 0.00 -1.30 -1.53 119.26 119.64 2i76 h ALA 140 Ca 0.13 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.89 2i76 h ALA 140 Cb 0.44 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2i76 h ALA 140 CO 0.02 0.66 0.37 1.49 0.00 0.00 0.00 179.25 181.79 2i76 h GLU 141 N 1.04 0.29 0.00 0.00 4.22 -1.38 -1.08 114.58 117.67 2i76 h GLU 141 Ca 0.21 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.63 2i76 h GLU 141 Cb 0.40 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2i76 h GLU 141 CO 0.01 0.19 0.00 0.39 -2.18 0.00 0.00 179.01 177.42 2i76 n GLU 142 N -4.46 0.00 -0.34 1.92 1.02 -0.67 -3.49 120.64 114.63 2i76 n GLU 142 Ca 0.09 0.37 0.06 0.00 -0.02 0.00 0.00 57.16 57.66 2i76 n GLU 142 Cb 0.40 -0.94 0.13 0.00 -0.02 0.00 0.00 31.44 31.02 2i76 n GLU 142 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2i76 n ILE 143 N -1.62 -0.40 -3.17 -3.67 5.41 -0.67 -4.44 119.36 110.80 2i76 n ILE 143 Ca 0.00 2.15 0.04 0.00 1.00 0.00 0.00 62.75 65.94 2i76 n ILE 143 Cb 0.00 -2.97 -0.02 0.00 -0.71 0.00 0.00 39.64 35.94 2i76 n ILE 143 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2i76 s SER 144 N -5.25 -0.84 0.00 4.38 1.04 -0.41 -4.37 113.70 108.25 2i76 s SER 144 Ca -0.14 0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2i76 s SER 144 Cb 0.25 1.72 0.00 0.00 0.10 0.00 0.00 66.02 68.09 2i76 s SER 144 CO 0.73 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.40 2i76 n GLY 145 N 5.43 0.10 3.01 7.32 0.00 -1.22 -4.39 105.19 115.44 2i76 n GLY 145 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2i76 n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i76 s LYS 146 N 1.03 2.19 0.01 1.61 1.02 -1.26 -4.96 119.74 119.38 2i76 s LYS 146 Ca 0.00 -0.52 -0.28 0.00 0.02 0.00 0.00 55.97 55.19 2i76 s LYS 146 Cb 0.00 -2.00 0.10 0.00 -0.52 0.00 0.00 37.83 35.41 2i76 s LYS 146 CO 0.00 -0.20 1.25 1.52 -0.92 0.00 0.00 175.35 176.99 2i76 s TYR 147 N 1.41 0.02 -0.28 3.18 -0.85 -1.26 -1.49 117.35 118.07 2i76 s TYR 147 Ca 0.03 -0.17 -0.21 0.00 -0.52 0.00 0.00 57.07 56.19 2i76 s TYR 147 Cb -0.13 0.58 0.09 0.00 0.38 0.00 0.00 41.96 42.88 2i76 s TYR 147 CO -0.09 -0.37 0.82 -0.59 -1.52 0.00 0.00 175.55 173.80 2i76 s PHE 148 N -2.14 -0.76 0.29 -3.49 -0.12 -0.52 -4.87 117.98 106.36 2i76 s PHE 148 Ca 0.25 1.70 -0.22 0.00 -0.05 0.00 0.00 56.93 58.61 2i76 s PHE 148 Cb 0.00 0.40 -0.09 0.00 -0.63 0.00 0.00 43.02 42.70 2i76 s PHE 148 CO -0.00 -0.37 0.84 0.54 -0.05 0.00 0.00 175.22 176.17 2i76 s VAL 149 N 0.82 4.40 -0.00 -2.49 0.11 -1.26 -2.46 120.40 119.51 2i76 s VAL 149 Ca -0.03 1.52 0.01 0.00 -2.93 0.00 0.00 61.98 60.55 2i76 s VAL 149 Cb -0.05 -3.89 -0.00 0.00 -1.53 0.00 0.00 36.38 30.91 2i76 s VAL 149 CO -0.09 0.11 -0.02 -0.51 -3.33 0.00 0.00 175.10 171.27 2i76 s ILE 150 N -1.64 0.19 0.73 7.04 2.07 -0.95 -4.96 121.20 123.68 2i76 s ILE 150 Ca 0.48 -0.09 -0.15 0.00 -1.41 0.00 0.00 60.65 59.48 2i76 s ILE 150 Cb -0.17 -0.17 0.04 0.00 0.13 0.00 0.00 42.46 42.29 2i76 s ILE 150 CO 0.21 0.06 1.22 -2.16 -1.91 0.00 0.00 174.94 172.36 2i76 s PRO 151 N -0.01 2.10 0.53 3.50 0.04 -1.26 -4.51 135.00 135.38 2i76 s PRO 151 Ca 0.00 1.79 0.24 0.00 0.04 0.00 0.00 61.00 63.08 2i76 s PRO 151 Cb -0.01 -1.83 1.45 0.00 0.04 0.00 0.00 34.50 34.15 2i76 s PRO 151 CO -0.00 -1.87 2.12 0.77 0.04 0.00 0.00 177.00 178.06 2i76 h SER 152 N -0.30 0.00 -0.31 6.66 0.02 -1.94 -2.25 113.55 115.43 2i76 h SER 152 Ca -0.48 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.39 2i76 h SER 152 Cb 1.30 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.79 2i76 h SER 152 CO 0.49 0.08 0.11 -1.84 -1.14 0.00 0.00 176.83 174.54 2i76 n GLU 153 N -3.95 2.17 -0.16 3.45 -0.00 -1.26 -3.57 120.64 117.32 2i76 n GLU 153 Ca -0.02 -1.28 0.00 0.00 -0.00 0.00 0.00 57.16 55.86 2i76 n GLU 153 Cb 0.17 -1.68 0.00 0.00 -0.00 0.00 0.00 31.44 29.93 2i76 n GLU 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2i76 n LYS 154 N 0.08 0.00 0.17 3.44 4.76 -0.85 -4.87 118.16 120.89 2i76 n LYS 154 Ca 0.17 -0.52 0.03 0.00 -2.87 0.00 0.00 58.31 55.12 2i76 n LYS 154 Cb 0.78 -0.40 0.28 0.00 -1.84 0.00 0.00 35.03 33.86 2i76 n LYS 154 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2i76 h LYS 155 N 0.00 0.00 -0.26 1.97 3.64 -1.61 -2.50 116.57 117.80 2i76 h LYS 155 Ca 0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2i76 h LYS 155 Cb 1.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2i76 h LYS 155 CO 0.00 0.45 -0.36 0.87 -2.27 0.00 0.00 179.45 178.14 2i76 h LYS 156 N 0.00 0.57 0.30 1.90 1.57 -1.87 -0.17 116.57 118.87 2i76 h LYS 156 Ca -0.00 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 2i76 h LYS 156 Cb 0.96 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2i76 h LYS 156 CO 0.06 0.85 -0.14 0.00 -0.57 0.00 0.00 179.45 179.65 2i76 h ALA 157 N 1.13 -0.40 -0.46 3.86 0.00 -1.88 -1.54 119.26 119.97 2i76 h ALA 157 Ca 0.05 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2i76 h ALA 157 Cb 0.85 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 2i76 h ALA 157 CO 0.07 -0.59 -0.30 -0.92 0.00 0.00 0.00 179.25 177.51 2i76 h TYR 158 N -0.68 -0.83 -0.61 0.00 3.20 -1.32 -0.46 116.97 116.26 2i76 h TYR 158 Ca -0.04 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.90 2i76 h TYR 158 Cb 0.47 0.43 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 2i76 h TYR 158 CO 0.01 -0.37 0.40 1.25 -1.64 0.00 0.00 178.16 177.82 2i76 h HIS 159 N -0.20 0.76 -0.45 -3.82 2.76 -1.03 -2.24 115.15 110.93 2i76 h HIS 159 Ca 0.20 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.47 2i76 h HIS 159 Cb 0.53 -0.26 -0.10 0.00 1.55 0.00 0.00 27.41 29.13 2i76 h HIS 159 CO -0.55 0.47 -0.38 1.25 -1.30 0.00 0.00 177.93 177.43 2i76 h LEU 160 N 0.82 -1.26 -0.53 0.26 6.46 -0.05 -0.12 115.31 120.88 2i76 h LEU 160 Ca 0.23 0.21 0.11 0.00 -0.12 0.00 0.00 57.88 58.31 2i76 h LEU 160 Cb -0.08 0.58 -0.11 0.00 -0.73 0.00 0.00 40.66 40.33 2i76 h LEU 160 CO -0.06 -0.34 -0.21 0.00 -0.62 0.00 0.00 178.44 177.22 2i76 h ALA 161 N 0.67 0.20 -0.93 1.25 0.00 -0.66 0.77 119.26 120.56 2i76 h ALA 161 Ca 0.17 0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.35 2i76 h ALA 161 Cb 0.56 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2i76 h ALA 161 CO -0.59 -0.53 0.60 0.00 0.00 0.00 0.00 179.25 178.73 2i76 h ALA 162 N 1.31 1.54 -0.63 0.00 0.00 -0.66 -2.08 119.26 118.75 2i76 h ALA 162 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2i76 h ALA 162 Cb 0.47 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2i76 h ALA 162 CO -0.59 0.29 0.37 0.28 0.00 0.00 0.00 179.25 179.60 2i76 h VAL 163 N 1.00 1.19 -0.73 0.00 2.07 0.31 0.52 116.25 120.60 2i76 h VAL 163 Ca 0.42 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 2i76 h VAL 163 Cb 0.30 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2i76 h VAL 163 CO -0.17 0.20 0.30 0.40 0.02 0.00 0.00 177.57 178.31 2i76 h ILE 164 N 0.85 1.25 0.00 4.57 2.04 -0.76 0.49 117.51 125.95 2i76 h ILE 164 Ca 0.22 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2i76 h ILE 164 Cb -0.00 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2i76 h ILE 164 CO -0.04 0.31 -0.44 0.00 0.00 0.00 0.00 178.15 177.98 2i76 h ALA 165 N 1.14 0.75 0.00 1.87 0.00 -1.09 -3.34 119.26 118.59 2i76 h ALA 165 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2i76 h ALA 165 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2i76 h ALA 165 CO -0.02 0.00 -0.82 0.45 0.00 0.00 0.00 179.25 178.86 2i76 n SER 166 N -2.53 1.75 -0.04 0.00 2.88 0.18 -4.75 113.62 111.11 2i76 n SER 166 Ca 0.03 0.29 -0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2i76 n SER 166 Cb 0.49 -0.65 -0.00 0.00 -0.75 0.00 0.00 64.21 63.30 2i76 n SER 166 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2i76 h ASN 167 N -0.78 0.00 -0.65 -3.46 -0.26 -0.25 -3.39 115.58 106.79 2i76 h ASN 167 Ca -0.01 0.00 0.23 0.00 -0.56 0.00 0.00 56.30 55.96 2i76 h ASN 167 Cb 0.80 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 37.94 2i76 h ASN 167 CO -0.01 0.38 0.21 0.49 -1.06 0.00 0.00 177.43 177.45 2i76 n PHE 168 N -4.10 0.62 -0.27 1.19 0.99 -0.37 0.42 117.46 115.94 2i76 n PHE 168 Ca -0.00 0.77 0.12 0.00 -0.00 0.00 0.00 57.45 58.34 2i76 n PHE 168 Cb 0.00 -1.11 0.37 0.00 -1.00 0.00 0.00 39.48 37.74 2i76 n PHE 168 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 2i76 h PRO 169 N 0.00 0.68 -1.01 -1.08 0.11 -1.76 -0.52 132.00 128.42 2i76 h PRO 169 Ca 0.49 -0.04 0.24 0.00 0.11 0.00 0.00 66.00 66.79 2i76 h PRO 169 Cb 1.20 -0.15 -0.11 0.00 0.11 0.00 0.00 31.00 32.04 2i76 h PRO 169 CO -0.54 0.45 0.62 0.28 -0.21 0.00 0.00 178.00 178.59 2i76 h VAL 170 N 0.70 0.57 0.00 3.15 2.07 -0.27 0.98 116.25 123.45 2i76 h VAL 170 Ca 0.44 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 2i76 h VAL 170 Cb 0.70 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2i76 h VAL 170 CO -0.20 0.11 -0.10 0.00 0.02 0.00 0.00 177.57 177.39 2i76 h ALA 171 N 1.68 1.25 0.24 1.67 0.00 -1.24 0.76 119.26 123.63 2i76 h ALA 171 Ca 0.62 -0.10 -0.32 0.00 0.00 0.00 0.00 54.91 55.11 2i76 h ALA 171 Cb 1.21 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 19.02 2i76 h ALA 171 CO -0.41 0.13 -1.44 -0.07 0.00 0.00 0.00 179.25 177.47 2i76 h LEU 172 N 0.00 0.80 -1.36 0.00 3.38 0.90 -2.75 115.31 116.27 2i76 h LEU 172 Ca -0.00 -0.92 -0.03 0.00 0.09 0.00 0.00 57.88 57.01 2i76 h LEU 172 Cb 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2i76 h LEU 172 CO 0.01 1.69 0.07 0.00 0.09 0.00 0.00 178.44 180.30 2i76 h ALA 173 N 0.14 1.49 -0.04 1.53 0.00 -0.28 -2.55 119.26 119.55 2i76 h ALA 173 Ca -0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2i76 h ALA 173 Cb 2.12 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 2i76 h ALA 173 CO 0.26 0.37 -0.01 -0.92 0.00 0.00 0.00 179.25 178.96 2i76 h TYR 174 N 0.48 0.08 -0.57 0.00 3.20 -0.90 -1.48 116.97 117.78 2i76 h TYR 174 Ca 0.11 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.02 2i76 h TYR 174 Cb 0.21 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 2i76 h TYR 174 CO 0.01 0.40 0.29 -0.07 -1.64 0.00 0.00 178.16 177.14 2i76 h LEU 175 N -0.27 0.41 -0.16 2.82 3.38 -1.29 -1.29 115.31 118.91 2i76 h LEU 175 Ca 0.01 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2i76 h LEU 175 Cb 0.37 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2i76 h LEU 175 CO 0.00 0.28 -0.17 0.28 0.09 0.00 0.00 178.44 178.92 2i76 h SER 176 N 0.55 0.43 -0.41 -0.43 0.02 -1.45 -2.76 113.55 109.50 2i76 h SER 176 Ca 0.26 -0.48 0.04 0.00 -0.84 0.00 0.00 61.79 60.76 2i76 h SER 176 Cb 0.17 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2i76 h SER 176 CO -0.18 0.83 0.28 0.50 -1.14 0.00 0.00 176.83 177.12 2i76 h LYS 177 N 0.04 0.38 -0.49 3.45 3.64 -1.13 0.18 116.57 122.64 2i76 h LYS 177 Ca 0.02 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2i76 h LYS 177 Cb 0.71 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 2i76 h LYS 177 CO 0.04 0.25 0.11 0.00 -2.27 0.00 0.00 179.45 177.59 2i76 h ARG 178 N 0.39 0.78 0.00 1.90 3.08 -1.08 -1.83 114.38 117.63 2i76 h ARG 178 Ca 0.17 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2i76 h ARG 178 Cb 0.20 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2i76 h ARG 178 CO -0.04 0.76 -0.14 -0.84 -1.07 0.00 0.00 179.97 178.65 2i76 h ILE 179 N 0.67 0.00 0.00 2.04 -0.00 -0.86 -2.41 117.51 116.95 2i76 h ILE 179 Ca 0.15 -0.71 -0.18 0.00 -0.00 0.00 0.00 64.86 64.12 2i76 h ILE 179 Cb 0.34 1.63 -0.03 0.00 -0.00 0.00 0.00 36.82 38.76 2i76 h ILE 179 CO 0.00 0.00 -0.84 1.88 -0.00 0.00 0.00 178.15 179.19 2i76 h TYR 180 N 0.00 0.00 0.00 0.16 0.99 -0.51 -2.91 116.97 114.70 2i76 h TYR 180 Ca 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 2i76 h TYR 180 Cb 0.86 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.58 2i76 h TYR 180 CO 0.00 0.84 -0.32 1.79 -0.00 0.00 0.00 178.16 180.47 2i76 h THR 181 N 0.00 0.29 0.00 -2.88 1.35 -1.26 0.16 112.91 110.57 2i76 h THR 181 Ca -0.01 -1.43 -0.01 0.00 -0.55 0.00 0.00 66.41 64.42 2i76 h THR 181 Cb 1.55 2.09 -0.00 0.00 -1.73 0.00 0.00 68.15 70.06 2i76 h THR 181 CO 0.11 0.17 -0.03 0.25 -0.25 0.00 0.00 175.52 175.77 2i76 h LEU 182 N 0.00 0.00 -2.22 3.87 5.85 -1.28 -2.06 115.31 119.47 2i76 h LEU 182 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2i76 h LEU 182 Cb 1.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2i76 h LEU 182 CO 0.02 0.03 0.00 0.18 -0.34 0.00 0.00 178.44 178.33 2i76 n LEU 183 N -3.12 3.23 -3.11 2.25 4.32 -1.04 -4.99 117.00 114.53 2i76 n LEU 183 Ca 0.02 -1.40 -0.14 0.00 -0.02 0.00 0.00 56.01 54.47 2i76 n LEU 183 Cb 0.41 -0.18 0.07 0.00 -1.62 0.00 0.00 43.42 42.10 2i76 n LEU 183 CO 0.31 0.67 0.04 0.61 -1.22 0.00 0.00 177.39 177.80 2i76 n GLY 184 N 1.34 -0.81 3.84 -0.72 0.00 -0.77 -5.00 105.19 103.07 2i76 n GLY 184 Ca 0.17 0.40 -0.38 0.00 0.00 0.00 0.00 46.02 46.21 2i76 n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i76 s LEU 185 N -5.35 4.47 0.00 0.99 1.43 -0.01 -4.99 118.68 115.22 2i76 s LEU 185 Ca 0.32 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 2i76 s LEU 185 Cb -0.04 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.54 2i76 s LEU 185 CO 0.67 0.31 0.17 0.47 0.23 0.00 0.00 176.35 178.20 2i76 n ASP 186 N 1.74 0.00 -4.09 2.29 8.00 -1.26 -4.44 116.55 118.79 2i76 n ASP 186 Ca -0.13 0.17 -0.35 0.00 0.71 0.00 0.00 54.79 55.19 2i76 n ASP 186 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.51 2i76 n ASP 186 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2i76 s GLU 187 N -0.35 2.16 0.18 -1.24 2.02 -1.26 -4.96 118.70 115.26 2i76 s GLU 187 Ca 0.00 -2.13 -0.07 0.00 0.02 0.00 0.00 54.97 52.79 2i76 s GLU 187 Cb 0.00 -3.59 0.09 0.00 0.10 0.00 0.00 34.13 30.73 2i76 s GLU 187 CO 0.00 -1.10 1.57 -1.00 0.02 0.00 0.00 175.26 174.75 2i76 h PRO 188 N 7.55 0.87 -1.02 0.39 0.13 -1.96 -3.20 132.00 134.76 2i76 h PRO 188 Ca -0.08 -0.38 0.25 0.00 -0.87 0.00 0.00 66.00 64.92 2i76 h PRO 188 Cb 1.00 -0.02 -0.11 0.00 0.13 0.00 0.00 31.00 31.99 2i76 h PRO 188 CO 0.69 1.02 0.63 0.93 -0.23 0.00 0.00 178.00 181.04 2i76 h GLU 189 N 0.74 0.50 0.74 0.86 3.07 -1.97 0.48 114.58 119.01 2i76 h GLU 189 Ca 0.09 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.89 2i76 h GLU 189 Cb 0.81 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.61 2i76 h GLU 189 CO 0.07 0.33 -0.35 -0.07 -1.40 0.00 0.00 179.01 177.59 2i76 h LEU 190 N 0.52 -0.84 -0.81 1.33 3.38 -1.99 0.40 115.31 117.30 2i76 h LEU 190 Ca 0.63 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.82 2i76 h LEU 190 Cb 1.33 0.22 -0.14 0.00 0.09 0.00 0.00 40.66 42.16 2i76 h LEU 190 CO -0.41 -0.58 0.10 0.25 0.09 0.00 0.00 178.44 177.89 2i76 h LEU 191 N -1.03 -0.21 -0.05 1.67 5.85 -1.09 0.23 115.31 120.68 2i76 h LEU 191 Ca -0.10 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2i76 h LEU 191 Cb 0.76 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 2i76 h LEU 191 CO 0.17 -0.17 0.03 0.40 -0.34 0.00 0.00 178.44 178.53 2i76 h ILE 192 N 0.15 1.08 -0.89 4.05 1.08 0.14 -2.15 117.51 120.97 2i76 h ILE 192 Ca 0.47 -0.23 0.10 0.00 -0.39 0.00 0.00 64.86 64.81 2i76 h ILE 192 Cb 0.88 1.14 -0.07 0.00 -3.07 0.00 0.00 36.82 35.70 2i76 h ILE 192 CO -0.66 0.07 0.53 -0.74 -0.69 0.00 0.00 178.15 176.66 2i76 h HIS 193 N -0.01 0.97 0.25 1.37 2.76 0.17 -2.51 115.15 118.15 2i76 h HIS 193 Ca 0.02 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 2i76 h HIS 193 Cb 0.08 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.74 2i76 h HIS 193 CO -0.05 0.41 -0.12 1.15 -1.30 0.00 0.00 177.93 178.02 2i76 h THR 194 N 0.89 0.79 0.00 6.26 2.02 -0.95 0.20 112.91 122.12 2i76 h THR 194 Ca 0.42 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2i76 h THR 194 Cb 0.36 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2i76 h THR 194 CO -0.24 0.07 0.00 0.18 0.37 0.00 0.00 175.52 175.90 2i76 n LEU 195 N -5.17 0.00 0.00 2.58 4.77 -0.83 -2.70 117.00 115.65 2i76 n LEU 195 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2i76 n LEU 195 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2i76 n LEU 195 CO 0.34 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.57 2i76 n LYS 197 N -0.25 0.00 -0.14 3.23 4.81 0.69 -3.99 118.16 122.51 2i76 n LYS 197 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 2i76 n LYS 197 Cb 0.00 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.28 2i76 n LYS 197 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2i76 h GLY 198 N 0.00 0.89 1.21 3.14 0.00 -1.72 0.28 103.07 106.87 2i76 h GLY 198 Ca 0.00 -0.44 -0.33 0.00 0.00 0.00 0.00 47.33 46.55 2i76 h GLY 198 CO 0.00 0.42 -1.48 -2.08 0.00 0.00 0.00 176.54 173.40 2i76 h VAL 199 N 0.83 1.27 -0.76 4.60 2.07 -1.85 -2.80 116.25 119.60 2i76 h VAL 199 Ca 0.20 -2.68 0.06 0.00 0.82 0.00 0.00 66.70 65.10 2i76 h VAL 199 Cb 0.15 3.04 -0.06 0.00 -1.52 0.00 0.00 31.29 32.89 2i76 h VAL 199 CO -0.02 0.81 0.44 0.00 0.02 0.00 0.00 177.57 178.82 2i76 h ALA 200 N 0.14 1.03 0.04 1.67 0.00 -1.78 -2.88 119.26 117.49 2i76 h ALA 200 Ca -0.26 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2i76 h ALA 200 Cb 2.15 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.78 2i76 h ALA 200 CO 0.27 0.14 -0.32 -0.44 0.00 0.00 0.00 179.25 178.89 2i76 h ASP 201 N 0.80 0.21 -1.26 0.00 3.32 -1.06 -3.32 116.42 115.10 2i76 h ASP 201 Ca 0.34 -0.93 0.37 0.00 0.02 0.00 0.00 57.03 56.83 2i76 h ASP 201 Cb 0.21 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 39.60 2i76 h ASP 201 CO -0.19 1.11 0.84 0.78 -1.72 0.00 0.00 179.24 180.07 2i76 h ASN 202 N -0.67 0.24 0.34 6.45 4.21 -1.44 0.61 115.58 125.31 2i76 h ASN 202 Ca -0.05 0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2i76 h ASN 202 Cb 1.20 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 2i76 h ASN 202 CO 0.06 -0.04 0.00 0.00 -1.29 0.00 0.00 177.43 176.17 2i76 n ILE 203 N -4.49 1.14 0.00 2.81 3.06 -1.10 -2.27 119.36 118.52 2i76 n ILE 203 Ca 0.31 0.28 -0.21 0.00 -2.50 0.00 0.00 62.75 60.63 2i76 n ILE 203 Cb 1.26 -1.10 -0.14 0.00 0.54 0.00 0.00 39.64 40.20 2i76 n ILE 203 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 2i76 h LYS 204 N 0.00 0.24 -0.10 9.51 3.64 0.04 -3.43 116.57 126.47 2i76 h LYS 204 Ca 0.00 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2i76 h LYS 204 Cb 0.17 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2i76 h LYS 204 CO 0.00 1.19 0.00 1.63 -2.27 0.00 0.00 179.45 180.00 2i76 n LYS 205 N -3.90 1.19 -3.33 1.90 5.02 -0.96 -5.13 118.16 112.95 2i76 n LYS 205 Ca -0.26 -0.29 -0.38 0.00 -2.02 0.00 0.00 58.31 55.36 2i76 n LYS 205 Cb 0.91 -1.07 -0.06 0.00 -0.02 0.00 0.00 35.03 34.79 2i76 n LYS 205 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2i76 s ARG 207 N -1.88 4.19 0.12 1.97 0.52 -1.26 -5.13 118.95 117.47 2i76 s ARG 207 Ca 0.05 0.58 -0.23 0.00 -0.52 0.00 0.00 55.73 55.62 2i76 s ARG 207 Cb 0.03 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 32.14 2i76 s ARG 207 CO 0.04 0.47 1.13 0.28 0.02 0.00 0.00 175.30 177.24 2i76 n VAL 208 N 2.46 -0.50 0.07 3.52 0.31 -1.26 0.82 118.33 123.75 2i76 n VAL 208 Ca -0.10 1.78 0.05 0.00 -0.01 0.00 0.00 64.34 66.06 2i76 n VAL 208 Cb 0.51 -2.20 0.24 0.00 -0.91 0.00 0.00 33.84 31.49 2i76 n VAL 208 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2i76 n GLU 209 N -4.91 0.06 -0.21 5.55 0.00 -1.26 -0.98 120.64 118.89 2i76 n GLU 209 Ca 0.01 0.55 0.09 0.00 0.00 0.00 0.00 57.16 57.82 2i76 n GLU 209 Cb 0.19 -1.70 0.26 0.00 0.00 0.00 0.00 31.44 30.19 2i76 n GLU 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2i76 n SER 211 N 0.96 2.12 -4.69 0.00 3.41 -0.15 -4.94 113.62 110.34 2i76 n SER 211 Ca 0.17 -1.56 -0.42 0.00 -0.26 0.00 0.00 58.87 56.80 2i76 n SER 211 Cb 0.45 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 2i76 n SER 211 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2i76 s LEU 212 N -1.44 4.24 0.00 1.04 2.96 -1.25 -4.92 118.68 119.30 2i76 s LEU 212 Ca 0.17 1.41 0.00 0.00 -0.22 0.00 0.00 54.13 55.49 2i76 s LEU 212 Cb 0.13 -3.42 0.00 0.00 0.50 0.00 0.00 46.19 43.40 2i76 s LEU 212 CO 0.23 -0.39 0.00 0.35 -1.32 0.00 0.00 176.35 175.22 2i76 n THR 213 N 4.49 0.00 0.00 3.68 -2.24 -1.26 -4.95 114.28 113.99 2i76 n THR 213 Ca 0.06 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2i76 n THR 213 Cb 0.49 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 2i76 n THR 213 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i76 n GLY 214 N 1.09 -2.82 0.23 3.38 0.00 -1.26 -4.65 105.19 101.16 2i76 n GLY 214 Ca 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 2i76 n GLY 214 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i76 h PRO 215 N 0.00 0.61 -0.14 1.61 0.13 -1.98 -2.61 132.00 129.61 2i76 h PRO 215 Ca 0.00 -0.33 0.03 0.00 -0.87 0.00 0.00 66.00 64.84 2i76 h PRO 215 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 2i76 h PRO 215 CO 0.00 0.93 -0.07 0.28 -0.23 0.00 0.00 178.00 178.91 2i76 h VAL 216 N 0.49 0.78 -0.66 1.56 2.07 -1.91 0.33 116.25 118.92 2i76 h VAL 216 Ca 0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.68 2i76 h VAL 216 Cb 0.96 0.78 -0.13 0.00 -1.52 0.00 0.00 31.29 31.38 2i76 h VAL 216 CO 0.09 0.00 -0.25 0.50 0.02 0.00 0.00 177.57 177.93 2i76 h LYS 217 N -0.05 -0.07 0.00 1.57 1.63 -1.82 0.54 116.57 118.37 2i76 h LYS 217 Ca 0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2i76 h LYS 217 Cb 0.17 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2i76 h LYS 217 CO -0.18 -0.05 0.00 0.00 -3.45 0.00 0.00 179.45 175.77 2i76 h ARG 218 N -0.07 0.00 -0.10 1.90 3.08 -1.01 -3.47 114.38 114.71 2i76 h ARG 218 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2i76 h ARG 218 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2i76 h ARG 218 CO -0.71 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 178.60 2i76 n GLY 219 N 0.25 0.51 2.32 0.04 0.00 0.19 -4.93 105.19 103.58 2i76 n GLY 219 Ca 0.02 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 2i76 n GLY 219 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i76 n ASP 220 N 1.85 6.13 -0.36 1.61 8.00 0.70 -4.68 116.55 129.79 2i76 n ASP 220 Ca 0.00 -2.95 0.34 0.00 0.71 0.00 0.00 54.79 52.88 2i76 n ASP 220 Cb 0.47 -1.30 0.60 0.00 -0.02 0.00 0.00 41.12 40.87 2i76 n ASP 220 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2i76 n TRP 221 N 1.48 0.93 -0.28 1.24 7.02 -1.26 0.79 117.44 127.37 2i76 n TRP 221 Ca 0.48 0.94 0.26 0.00 -1.02 0.00 0.00 57.50 58.16 2i76 n TRP 221 Cb 0.66 -1.36 0.59 0.00 -2.42 0.00 0.00 31.31 28.79 2i76 n TRP 221 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 2i76 h GLN 222 N 0.00 0.24 0.11 -0.99 5.75 -1.97 0.47 115.11 118.72 2i76 h GLN 222 Ca 0.82 -0.01 -0.35 0.00 -0.15 0.00 0.00 58.65 58.96 2i76 h GLN 222 Cb 2.37 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 30.84 2i76 h GLN 222 CO -0.62 0.16 -1.93 -0.39 -2.65 0.00 0.00 178.83 173.41 2i76 h VAL 223 N 0.25 0.69 -0.94 2.39 -1.51 -0.02 -3.12 116.25 113.99 2i76 h VAL 223 Ca 0.54 -2.42 0.13 0.00 -1.23 0.00 0.00 66.70 63.72 2i76 h VAL 223 Cb 1.64 2.52 -0.08 0.00 -2.13 0.00 0.00 31.29 33.24 2i76 h VAL 223 CO -0.17 0.83 0.60 0.58 -1.23 0.00 0.00 177.57 178.18 2i76 h VAL 224 N 0.06 0.88 -0.04 7.19 2.07 -0.55 0.27 116.25 126.13 2i76 h VAL 224 Ca -0.39 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 66.73 2i76 h VAL 224 Cb 2.04 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2i76 h VAL 224 CO 0.10 0.15 -0.39 -0.33 0.02 0.00 0.00 177.57 177.12 2i76 h GLU 225 N 0.85 0.34 -0.27 1.57 5.08 -0.32 -2.91 114.58 118.91 2i76 h GLU 225 Ca 0.47 -0.31 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 2i76 h GLU 225 Cb 0.59 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2i76 h GLU 225 CO -0.23 0.97 -0.43 0.93 -1.00 0.00 0.00 179.01 179.25 2i76 h GLU 226 N -0.19 0.78 -0.02 2.33 5.08 -1.39 -2.82 114.58 118.34 2i76 h GLU 226 Ca -0.04 -0.47 0.01 0.00 -1.00 0.00 0.00 59.36 57.86 2i76 h GLU 226 Cb 1.07 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 2i76 h GLU 226 CO 0.08 1.10 0.07 1.49 -1.00 0.00 0.00 179.01 180.74 2i76 h GLU 227 N 0.53 0.00 0.07 2.33 4.81 -0.57 0.23 114.58 121.98 2i76 h GLU 227 Ca 0.02 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.00 2i76 h GLU 227 Cb 1.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2i76 h GLU 227 CO 0.10 0.00 -1.23 -0.09 -0.73 0.00 0.00 179.01 177.06 2i76 h ARG 228 N 0.00 0.15 0.01 1.92 2.43 -1.29 -0.92 114.38 116.68 2i76 h ARG 228 Ca 0.01 -0.25 -0.20 0.00 -0.81 0.00 0.00 59.98 58.73 2i76 h ARG 228 Cb 0.14 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2i76 h ARG 228 CO -0.00 1.07 -0.93 0.00 -1.51 0.00 0.00 179.97 178.60 2i76 h ARG 229 N 0.04 0.05 -0.43 0.20 2.47 -0.73 -0.64 114.38 115.34 2i76 h ARG 229 Ca -0.11 -0.07 -0.14 0.00 -1.26 0.00 0.00 59.98 58.40 2i76 h ARG 229 Cb 1.90 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 30.24 2i76 h ARG 229 CO 0.16 0.94 -0.27 1.49 0.56 0.00 0.00 179.97 182.84 2i76 h GLU 230 N 0.02 0.94 -0.40 0.04 4.57 -0.69 -0.72 114.58 118.35 2i76 h GLU 230 Ca -0.02 -0.44 -0.02 0.00 -1.18 0.00 0.00 59.36 57.70 2i76 h GLU 230 Cb 1.62 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.18 2i76 h GLU 230 CO 0.13 1.10 0.17 -0.92 -1.18 0.00 0.00 179.01 178.30 2i76 h TYR 231 N 0.77 0.60 -0.13 0.92 3.20 -1.01 -1.54 116.97 119.78 2i76 h TYR 231 Ca 0.09 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2i76 h TYR 231 Cb 0.86 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2i76 h TYR 231 CO 0.06 0.53 0.08 1.49 -1.64 0.00 0.00 178.16 178.67 2i76 h GLU 232 N 0.50 0.17 -0.95 1.82 4.81 -0.98 -1.06 114.58 118.89 2i76 h GLU 232 Ca 0.13 -0.02 0.21 0.00 -0.13 0.00 0.00 59.36 59.56 2i76 h GLU 232 Cb 0.17 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.44 2i76 h GLU 232 CO -0.01 0.16 0.61 0.87 -0.73 0.00 0.00 179.01 179.91 2i76 h LYS 233 N 0.14 0.47 0.04 1.92 1.57 -0.79 0.12 116.57 120.04 2i76 h LYS 233 Ca 0.05 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.49 2i76 h LYS 233 Cb 0.03 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2i76 h LYS 233 CO -0.01 0.31 -1.75 0.82 -0.57 0.00 0.00 179.45 178.25 2i76 h ILE 234 N 0.49 0.84 -0.01 1.86 2.04 -0.74 -3.41 117.51 118.57 2i76 h ILE 234 Ca 0.51 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.73 2i76 h ILE 234 Cb 1.16 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.72 2i76 h ILE 234 CO -0.23 0.64 0.00 0.49 0.00 0.00 0.00 178.15 179.04 2i76 n PHE 235 N -3.20 0.01 0.00 1.37 3.01 -0.45 -5.02 117.46 113.18 2i76 n PHE 235 Ca -0.20 -0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.21 2i76 n PHE 235 Cb 1.05 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.51 2i76 n PHE 235 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2i76 n GLY 236 N 0.18 2.90 1.03 1.37 0.00 0.01 -4.99 105.19 105.69 2i76 n GLY 236 Ca 0.02 -0.44 -0.06 0.00 0.00 0.00 0.00 46.02 45.55 2i76 n GLY 236 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2i76 n ASN 237 N 0.68 -0.30 -0.04 1.61 0.23 -1.26 -4.94 115.26 111.25 2i76 n ASN 237 Ca 0.00 -1.66 0.01 0.00 -0.53 0.00 0.00 54.58 52.40 2i76 n ASN 237 Cb 0.00 0.63 0.01 0.00 -2.08 0.00 0.00 39.78 38.34 2i76 n ASN 237 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2i76 n THR 238 N -0.19 0.61 -0.04 5.53 -2.24 -1.26 -3.82 114.28 112.87 2i76 n THR 238 Ca 0.02 -0.64 -0.07 0.00 -2.27 0.00 0.00 64.05 61.09 2i76 n THR 238 Cb 0.19 0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 2i76 n THR 238 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2i76 h VAL 239 N 1.63 0.00 -0.69 2.28 2.07 -1.99 0.20 116.25 119.75 2i76 h VAL 239 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2i76 h VAL 239 Cb 0.79 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2i76 h VAL 239 CO 0.00 0.00 0.35 0.25 0.02 0.00 0.00 177.57 178.19 2i76 h LEU 240 N -0.22 0.89 0.20 2.57 5.85 -2.01 -2.68 115.31 119.92 2i76 h LEU 240 Ca 0.03 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2i76 h LEU 240 Cb 0.30 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 2i76 h LEU 240 CO -0.25 0.75 -0.37 0.22 -0.34 0.00 0.00 178.44 178.45 2i76 h TYR 241 N 0.95 -1.02 -0.64 1.25 3.20 -1.85 -2.62 116.97 116.25 2i76 h TYR 241 Ca 0.24 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.25 2i76 h TYR 241 Cb 0.09 0.42 -0.09 0.00 1.54 0.00 0.00 36.73 38.69 2i76 h TYR 241 CO 0.00 -0.49 0.17 -0.44 -1.64 0.00 0.00 178.16 175.76 2i76 h ASP 242 N -0.66 0.07 0.38 -2.11 3.45 -0.46 -2.12 116.42 114.97 2i76 h ASP 242 Ca 0.01 0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.57 2i76 h ASP 242 Cb 0.65 0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.55 2i76 h ASP 242 CO -0.17 0.03 -0.23 -0.33 -1.57 0.00 0.00 179.24 176.98 2i76 h GLU 243 N 0.30 -0.56 -0.51 3.56 3.07 -1.22 -1.00 114.58 118.23 2i76 h GLU 243 Ca 0.34 0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 2i76 h GLU 243 Cb 0.51 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 2i76 h GLU 243 CO -0.40 -0.37 0.28 0.82 -1.40 0.00 0.00 179.01 177.94 2i76 h ILE 244 N -0.58 1.17 -0.69 3.13 5.03 -1.36 -2.11 117.51 122.10 2i76 h ILE 244 Ca -0.04 -0.43 0.05 0.00 -0.12 0.00 0.00 64.86 64.32 2i76 h ILE 244 Cb 0.48 0.53 -0.05 0.00 -3.03 0.00 0.00 36.82 34.74 2i76 h ILE 244 CO 0.04 0.18 0.40 0.58 -0.68 0.00 0.00 178.15 178.68 2i76 h VAL 245 N 0.68 1.01 -0.47 1.67 2.07 -1.28 0.38 116.25 120.31 2i76 h VAL 245 Ca 0.18 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.50 2i76 h VAL 245 Cb 0.04 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 29.96 2i76 h VAL 245 CO -0.03 0.14 0.20 0.50 0.02 0.00 0.00 177.57 178.40 2i76 h LYS 246 N 0.75 0.39 -0.35 1.57 3.64 -0.79 -0.14 116.57 121.64 2i76 h LYS 246 Ca 0.30 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 2i76 h LYS 246 Cb 0.14 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2i76 h LYS 246 CO -0.16 0.26 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.12 2i76 h LEU 247 N 0.41 0.69 -0.96 5.20 3.38 -0.60 -2.64 115.31 120.78 2i76 h LEU 247 Ca 0.22 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2i76 h LEU 247 Cb 0.18 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2i76 h LEU 247 CO -0.19 0.90 0.37 -0.07 0.09 0.00 0.00 178.44 179.54 2i76 h LEU 248 N 0.47 1.01 -1.42 1.67 3.38 0.01 0.53 115.31 120.97 2i76 h LEU 248 Ca 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2i76 h LEU 248 Cb 0.60 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2i76 h LEU 248 CO 0.04 0.85 0.00 -0.09 0.09 0.00 0.00 178.44 179.33 2i76 h ARG 249 N 1.10 0.00 0.04 1.13 2.43 -0.94 0.04 114.38 118.19 2i76 h ARG 249 Ca 0.27 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 59.12 2i76 h ARG 249 Cb 0.11 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 2i76 h ARG 249 CO -0.03 0.00 -1.85 -1.91 -1.51 0.00 0.00 179.97 174.66 2i76 n GLU 250 N -2.64 0.68 0.12 0.20 2.13 0.67 -3.02 120.64 118.79 2i76 n GLU 250 Ca 0.00 0.27 -0.02 0.00 0.66 0.00 0.00 57.16 58.08 2i76 n GLU 250 Cb 0.20 -1.75 0.20 0.00 0.27 0.00 0.00 31.44 30.35 2i76 n GLU 250 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2i76 h VAL 251 N 0.03 1.38 0.00 6.31 2.07 0.93 -2.73 116.25 124.24 2i76 h VAL 251 Ca -0.35 -1.86 -0.13 0.00 0.82 0.00 0.00 66.70 65.18 2i76 h VAL 251 Cb 2.03 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 33.74 2i76 h VAL 251 CO 0.08 0.54 -0.62 0.00 0.02 0.00 0.00 177.57 177.59 2i76 h ALA 252 N 1.37 0.64 0.10 1.67 0.00 -1.14 -3.31 119.26 118.59 2i76 h ALA 252 Ca -0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 54.91 54.05 2i76 h ALA 252 Cb 0.98 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2i76 h ALA 252 CO 0.08 0.77 -1.46 0.93 0.00 0.00 0.00 179.25 179.57 2i76 h GLU 253 N 0.00 0.22 -0.97 0.00 5.08 -1.48 -3.22 114.58 114.20 2i76 h GLU 253 Ca -0.01 -0.37 0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2i76 h GLU 253 Cb 1.41 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 30.71 2i76 h GLU 253 CO 0.08 1.08 0.61 0.66 -1.00 0.00 0.00 179.01 180.44 2i76 h SER 254 N 0.06 0.68 0.39 1.42 4.64 -1.57 0.37 113.55 119.53 2i76 h SER 254 Ca -0.21 0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.05 2i76 h SER 254 Cb 1.99 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 64.02 2i76 h SER 254 CO 0.16 0.26 -0.56 -0.33 -0.87 0.00 0.00 176.83 175.50 2i76 h GLU 255 N 0.67 0.17 0.00 4.77 4.39 -1.66 -2.66 114.58 120.26 2i76 h GLU 255 Ca 0.54 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 60.13 2i76 h GLU 255 Cb 0.95 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2i76 h GLU 255 CO -0.30 0.68 0.51 0.00 -1.16 0.00 0.00 179.01 178.74 2i76 h ARG 256 N 0.13 0.00 -0.03 2.33 -0.00 -0.27 -3.53 114.38 113.02 2i76 h ARG 256 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2i76 h ARG 256 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.99 2i76 h ARG 256 CO 0.08 0.00 0.00 2.89 0.00 0.00 0.00 179.97 182.94