#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4n n ASP 3 N 0.00 0.00 -4.37 1.61 5.75 -1.25 -4.45 116.55 113.84 3a4n n ASP 3 Ca 0.00 -0.23 -0.32 0.00 -0.01 0.00 0.00 54.79 54.23 3a4n n ASP 3 Cb 0.00 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 39.94 3a4n n ASP 3 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3a4n s ILE 4 N 0.00 2.66 0.02 2.12 1.01 -1.26 -4.85 121.20 120.89 3a4n s ILE 4 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 3a4n s ILE 4 Cb 0.00 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 3a4n s ILE 4 CO 0.00 0.57 -0.01 -0.32 0.00 0.00 0.00 174.94 175.18 3a4n s MET 5 N -0.27 0.35 -0.23 2.79 -2.45 -1.26 -3.76 119.30 114.46 3a4n s MET 5 Ca 0.01 -0.60 -0.06 0.00 -1.25 0.00 0.00 55.69 53.78 3a4n s MET 5 Cb -0.13 0.13 -0.02 0.00 1.25 0.00 0.00 34.83 36.05 3a4n s MET 5 CO 0.03 -0.06 0.03 -1.17 1.05 0.00 0.00 175.02 174.90 3a4n s LEU 6 N -1.51 3.28 -0.26 4.11 2.96 -0.53 -2.33 118.68 124.41 3a4n s LEU 6 Ca -0.15 -0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 53.44 3a4n s LEU 6 Cb -0.09 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 3a4n s LEU 6 CO -0.01 -0.01 0.09 -0.63 -1.32 0.00 0.00 176.35 174.46 3a4n s ILE 7 N 1.48 4.41 -0.32 6.68 1.01 0.14 -1.82 121.20 132.77 3a4n s ILE 7 Ca 0.05 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.45 3a4n s ILE 7 Cb -0.15 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.25 3a4n s ILE 7 CO 0.02 0.31 0.14 -0.63 0.00 0.00 0.00 174.94 174.77 3a4n s ILE 8 N 1.63 4.34 0.39 2.92 1.01 -0.37 0.17 121.20 131.28 3a4n s ILE 8 Ca 0.06 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 3a4n s ILE 8 Cb -0.15 -3.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.98 3a4n s ILE 8 CO 0.04 -0.01 0.74 -0.76 0.00 0.00 0.00 174.94 174.96 3a4n s LEU 9 N 1.55 3.85 -0.22 2.97 1.43 -0.89 -0.31 118.68 127.06 3a4n s LEU 9 Ca 0.03 1.08 -0.20 0.00 -1.03 0.00 0.00 54.13 54.01 3a4n s LEU 9 Cb -0.18 -3.95 0.06 0.00 0.03 0.00 0.00 46.19 42.15 3a4n s LEU 9 CO 0.05 -0.38 0.59 0.28 0.23 0.00 0.00 176.35 177.12 3a4n s THR 10 N -2.34 -0.00 0.00 5.49 -1.32 -0.98 -4.56 115.64 111.93 3a4n s THR 10 Ca 0.50 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 3a4n s THR 10 Cb -0.10 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 3a4n s THR 10 CO 0.31 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.34 3a4n n GLY 11 N 2.91 3.73 3.72 6.08 0.00 -0.73 -1.95 105.19 118.96 3a4n n GLY 11 Ca -0.14 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 3a4n n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a4n s LEU 12 N 0.00 3.28 0.41 0.99 1.43 -1.26 -4.49 118.68 119.04 3a4n s LEU 12 Ca 0.00 2.31 -0.25 0.00 -1.03 0.00 0.00 54.13 55.16 3a4n s LEU 12 Cb 0.00 -4.58 -0.11 0.00 0.03 0.00 0.00 46.19 41.53 3a4n s LEU 12 CO 0.00 -2.29 1.16 -2.65 0.23 0.00 0.00 176.35 172.80 3a4n n PRO 13 N -2.83 1.68 -0.04 1.29 -0.02 -1.26 -2.09 135.00 131.73 3a4n n PRO 13 Ca 0.13 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3a4n n PRO 13 Cb 0.50 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3a4n n PRO 13 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a4n n GLY 14 N 0.98 1.60 0.12 -1.23 0.00 -1.26 -4.90 105.19 100.50 3a4n n GLY 14 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3a4n n GLY 14 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3a4n h VAL 15 N 0.00 0.00 0.00 1.61 3.04 -1.76 -3.44 116.25 115.70 3a4n h VAL 15 Ca 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3a4n h VAL 15 Cb 0.00 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 3a4n h VAL 15 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.17 3a4n n GLY 16 N 1.02 1.69 0.34 3.17 0.00 -1.26 -4.83 105.19 105.31 3a4n n GLY 16 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3a4n n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a4n h LYS 17 N 0.00 1.17 -0.22 1.61 1.57 -1.91 -1.98 116.57 116.81 3a4n h LYS 17 Ca 0.00 -0.12 -0.20 0.00 -1.87 0.00 0.00 60.65 58.46 3a4n h LYS 17 Cb 0.00 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.08 3a4n h LYS 17 CO 0.00 0.83 -0.64 0.77 -0.57 0.00 0.00 179.45 179.84 3a4n h SER 18 N 1.18 0.94 -0.39 0.86 0.02 -1.96 -1.09 113.55 113.11 3a4n h SER 18 Ca 0.31 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3a4n h SER 18 Cb -0.02 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 3a4n h SER 18 CO -0.05 1.36 0.25 0.74 -1.14 0.00 0.00 176.83 177.98 3a4n h THR 19 N 0.58 1.11 -0.01 -2.27 2.02 -1.98 -1.01 112.91 111.35 3a4n h THR 19 Ca -0.02 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 66.96 3a4n h THR 19 Cb 1.27 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 3a4n h THR 19 CO 0.14 0.11 -0.22 0.15 0.37 0.00 0.00 175.52 176.07 3a4n h PHE 20 N 0.52 -0.59 -0.76 3.16 3.04 -1.28 -1.95 116.94 119.08 3a4n h PHE 20 Ca 0.14 0.02 0.17 0.00 3.98 0.00 0.00 57.97 62.28 3a4n h PHE 20 Cb -0.03 0.26 -0.13 0.00 2.56 0.00 0.00 35.95 38.61 3a4n h PHE 20 CO -0.04 -0.31 -0.03 0.77 -2.02 0.00 0.00 178.31 176.67 3a4n h SER 21 N -0.35 -0.42 0.01 0.41 0.02 -0.91 0.20 113.55 112.51 3a4n h SER 21 Ca 0.06 0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 61.12 3a4n h SER 21 Cb 0.43 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 3a4n h SER 21 CO -0.21 -0.20 -0.29 0.11 -1.14 0.00 0.00 176.83 175.10 3a4n h LYS 22 N 0.08 0.43 -0.03 3.45 1.57 -0.91 0.12 116.57 121.27 3a4n h LYS 22 Ca 0.41 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3a4n h LYS 22 Cb 0.70 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3a4n h LYS 22 CO -0.69 0.68 -0.12 -0.91 -0.57 0.00 0.00 179.45 177.84 3a4n h ASN 23 N 0.37 0.15 0.22 0.86 2.35 -0.57 -2.48 115.58 116.49 3a4n h ASN 23 Ca 0.05 -0.65 0.01 0.00 -0.55 0.00 0.00 56.30 55.16 3a4n h ASN 23 Cb 0.70 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.99 3a4n h ASN 23 CO 0.05 0.78 -0.38 0.25 -1.65 0.00 0.00 177.43 176.48 3a4n h LEU 24 N -0.47 -1.09 -0.70 1.61 5.85 -1.02 -1.23 115.31 118.26 3a4n h LEU 24 Ca -0.01 0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.96 3a4n h LEU 24 Cb 0.77 0.39 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 3a4n h LEU 24 CO 0.02 -0.49 0.25 0.00 -0.34 0.00 0.00 178.44 177.88 3a4n h ALA 25 N -0.19 0.94 0.25 1.25 0.00 -0.82 0.32 119.26 121.00 3a4n h ALA 25 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3a4n h ALA 25 Cb 0.67 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3a4n h ALA 25 CO -0.16 -0.24 -0.12 -0.22 0.00 0.00 0.00 179.25 178.51 3a4n h LYS 26 N 0.39 -0.32 -0.71 0.00 3.64 -1.18 0.11 116.57 118.50 3a4n h LYS 26 Ca 0.38 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.74 3a4n h LYS 26 Cb 0.57 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 3a4n h LYS 26 CO -0.40 -0.20 0.30 0.97 -2.27 0.00 0.00 179.45 177.85 3a4n h ILE 27 N -0.35 1.24 -0.74 2.00 2.10 -0.63 0.33 117.51 121.46 3a4n h ILE 27 Ca -0.03 -0.73 -0.01 0.00 1.08 0.00 0.00 64.86 65.17 3a4n h ILE 27 Cb 0.27 0.37 -0.04 0.00 -1.09 0.00 0.00 36.82 36.33 3a4n h ILE 27 CO 0.06 0.30 0.42 -0.07 -1.08 0.00 0.00 178.15 177.77 3a4n h LEU 28 N 1.02 0.89 -0.10 2.19 3.38 -0.76 -2.35 115.31 119.59 3a4n h LEU 28 Ca 0.24 -0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 3a4n h LEU 28 Cb 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3a4n h LEU 28 CO -0.02 0.70 -0.97 0.77 0.09 0.00 0.00 178.44 179.01 3a4n h SER 29 N 1.02 0.08 -0.49 -0.43 4.64 0.55 0.47 113.55 119.39 3a4n h SER 29 Ca 0.26 -0.08 0.05 0.00 -0.47 0.00 0.00 61.79 61.55 3a4n h SER 29 Cb -0.01 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 3a4n h SER 29 CO -0.05 1.00 0.33 0.50 -0.87 0.00 0.00 176.83 177.74 3a4n h LYS 30 N 0.02 0.44 -0.90 4.77 3.64 -0.09 -0.70 116.57 123.75 3a4n h LYS 30 Ca -0.03 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3a4n h LYS 30 Cb 1.69 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 3a4n h LYS 30 CO 0.13 0.29 0.02 0.09 -2.27 0.00 0.00 179.45 177.72 3a4n n ASN 31 N -4.48 2.45 -2.36 4.20 4.13 -0.91 -4.90 115.26 113.39 3a4n n ASN 31 Ca 0.06 -2.29 -0.21 0.00 1.68 0.00 0.00 54.58 53.83 3a4n n ASN 31 Cb 0.23 -0.56 -0.01 0.00 -1.54 0.00 0.00 39.78 37.90 3a4n n ASN 31 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3a4n n ASN 32 N 0.16 -5.89 -4.68 6.41 4.05 -0.27 -5.00 115.26 110.04 3a4n n ASN 32 Ca 0.09 -0.01 -0.36 0.00 0.45 0.00 0.00 54.58 54.74 3a4n n ASN 32 Cb 0.56 -4.90 -0.09 0.00 1.23 0.00 0.00 39.78 36.58 3a4n n ASN 32 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3a4n s ILE 33 N -3.03 5.35 -0.44 -1.44 1.01 0.12 -5.00 121.20 117.77 3a4n s ILE 33 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.62 3a4n s ILE 33 Cb 0.00 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.97 3a4n s ILE 33 CO 0.00 0.36 1.10 -1.81 0.00 0.00 0.00 174.94 174.59 3a4n s ASP 34 N 0.86 6.68 0.02 3.58 1.01 -1.26 -3.87 116.67 123.70 3a4n s ASP 34 Ca 0.09 0.56 0.01 0.00 0.71 0.00 0.00 52.55 53.92 3a4n s ASP 34 Cb -0.13 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 3a4n s ASP 34 CO 0.03 -1.15 -0.04 0.54 0.21 0.00 0.00 175.17 174.76 3a4n s VAL 35 N 4.22 0.24 0.00 -1.27 0.11 -1.26 -0.94 120.40 121.50 3a4n s VAL 35 Ca 0.46 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 3a4n s VAL 35 Cb -0.08 -0.35 -0.01 0.00 -1.53 0.00 0.00 36.38 34.41 3a4n s VAL 35 CO 0.28 -0.40 -0.11 -0.51 -3.33 0.00 0.00 175.10 171.03 3a4n s ILE 36 N -1.27 0.85 -0.26 7.04 2.07 -0.65 -4.96 121.20 124.03 3a4n s ILE 36 Ca -0.12 -0.58 -0.09 0.00 -1.41 0.00 0.00 60.65 58.45 3a4n s ILE 36 Cb -0.09 -0.74 -0.04 0.00 0.13 0.00 0.00 42.46 41.73 3a4n s ILE 36 CO -0.00 0.16 0.12 -0.69 -1.91 0.00 0.00 174.94 172.62 3a4n s VAL 37 N -0.41 4.81 0.01 4.00 1.01 -1.26 -0.87 120.40 127.69 3a4n s VAL 37 Ca 0.03 -0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.07 3a4n s VAL 37 Cb -0.05 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 3a4n s VAL 37 CO -0.00 0.31 -0.19 -0.76 0.00 0.00 0.00 175.10 174.46 3a4n s LEU 38 N 1.57 2.10 0.17 3.92 1.43 -0.45 -4.97 118.68 122.44 3a4n s LEU 38 Ca 0.06 -0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 52.56 3a4n s LEU 38 Cb -0.15 -0.93 0.04 0.00 0.03 0.00 0.00 46.19 45.18 3a4n s LEU 38 CO 0.07 0.18 0.52 -0.83 0.23 0.00 0.00 176.35 176.52 3a4n s GLY 39 N -0.78 -0.30 0.66 -3.19 0.00 -1.26 -0.35 107.32 102.10 3a4n s GLY 39 Ca 0.07 0.04 0.44 0.00 0.00 0.00 0.00 44.72 45.26 3a4n s GLY 39 CO 0.00 -0.14 2.37 1.48 0.00 0.00 0.00 173.10 176.81 3a4n h SER 40 N 2.17 0.00 0.96 1.64 4.64 -1.93 -1.92 113.55 119.12 3a4n h SER 40 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3a4n h SER 40 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3a4n h SER 40 CO 0.39 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.79 3a4n h ASP 41 N 0.00 0.00 -0.13 4.97 3.45 -1.97 -0.60 116.42 122.15 3a4n h ASP 41 Ca -0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 3a4n h ASP 41 Cb 0.01 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 3a4n h ASP 41 CO 0.00 0.00 0.04 0.25 -1.57 0.00 0.00 179.24 177.96 3a4n h LEU 42 N 0.00 0.18 0.16 1.55 5.85 -1.76 -1.34 115.31 119.95 3a4n h LEU 42 Ca 0.00 -0.19 -0.21 0.00 0.84 0.00 0.00 57.88 58.32 3a4n h LEU 42 Cb 0.48 -0.05 0.02 0.00 0.37 0.00 0.00 40.66 41.49 3a4n h LEU 42 CO 0.00 0.32 -0.92 0.40 -0.34 0.00 0.00 178.44 177.90 3a4n h ILE 43 N 0.03 1.47 -0.69 4.05 1.08 -1.65 -3.28 117.51 118.52 3a4n h ILE 43 Ca 0.04 -2.56 0.04 0.00 -0.39 0.00 0.00 64.86 61.99 3a4n h ILE 43 Cb 0.20 3.18 -0.04 0.00 -3.07 0.00 0.00 36.82 37.09 3a4n h ILE 43 CO -0.00 0.73 0.46 -0.09 -0.69 0.00 0.00 178.15 178.56 3a4n h ARG 44 N -0.30 0.80 -0.09 2.37 2.43 -1.11 -1.79 114.38 116.69 3a4n h ARG 44 Ca -0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3a4n h ARG 44 Cb 1.72 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 31.09 3a4n h ARG 44 CO 0.17 0.53 0.00 0.39 -1.51 0.00 0.00 179.97 179.55 3a4n n GLU 45 N -4.46 1.67 0.09 0.20 1.02 -0.51 -3.19 120.64 115.46 3a4n n GLU 45 Ca 0.09 -0.99 0.13 0.00 -0.02 0.00 0.00 57.16 56.36 3a4n n GLU 45 Cb 0.14 -1.43 0.38 0.00 -0.02 0.00 0.00 31.44 30.50 3a4n n GLU 45 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3a4n n SER 46 N 0.21 0.77 -4.84 1.62 7.64 -0.67 -4.78 113.62 113.56 3a4n n SER 46 Ca 0.18 0.50 -0.32 0.00 1.01 0.00 0.00 58.87 60.23 3a4n n SER 46 Cb 0.33 -0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 62.85 3a4n n SER 46 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3a4n s PHE 47 N -3.11 3.37 0.15 1.43 0.40 -1.19 -4.99 117.98 114.05 3a4n s PHE 47 Ca 0.10 1.38 0.15 0.00 -0.60 0.00 0.00 56.93 57.96 3a4n s PHE 47 Cb 0.13 -2.68 0.46 0.00 0.51 0.00 0.00 43.02 41.44 3a4n s PHE 47 CO 0.61 -0.07 1.63 -1.00 0.70 0.00 0.00 175.22 177.10 3a4n h PRO 48 N 1.81 0.00 -5.27 0.24 0.14 -1.90 -3.46 132.00 123.56 3a4n h PRO 48 Ca -0.48 0.00 -0.38 0.00 0.14 0.00 0.00 66.00 65.28 3a4n h PRO 48 Cb 1.18 0.00 -0.15 0.00 0.14 0.00 0.00 31.00 32.17 3a4n h PRO 48 CO 0.63 0.50 -0.72 0.14 0.14 0.00 0.00 178.00 178.69 3a4n s VAL 49 N -3.47 1.40 0.12 1.56 -7.23 -1.26 -5.15 120.40 106.38 3a4n s VAL 49 Ca 0.00 -2.12 -0.15 0.00 -1.81 0.00 0.00 61.98 57.90 3a4n s VAL 49 Cb 0.11 -1.92 -0.07 0.00 0.56 0.00 0.00 36.38 35.06 3a4n s VAL 49 CO 0.72 -0.68 0.54 0.86 -0.31 0.00 0.00 175.10 176.23 3a4n s TRP 50 N -3.17 3.66 -0.10 2.82 -0.00 -1.26 -5.06 118.94 115.84 3a4n s TRP 50 Ca 0.19 1.10 -0.13 0.00 -0.00 0.00 0.00 56.10 57.26 3a4n s TRP 50 Cb 0.01 -2.39 0.03 0.00 -0.00 0.00 0.00 33.47 31.12 3a4n s TRP 50 CO 0.03 0.48 0.33 0.15 -0.00 0.00 0.00 176.95 177.94 3a4n s LYS 51 N -1.71 0.47 0.48 5.86 1.02 -1.26 -5.04 119.74 119.56 3a4n s LYS 51 Ca 0.35 0.29 0.30 0.00 0.02 0.00 0.00 55.97 56.93 3a4n s LYS 51 Cb -0.16 0.22 1.39 0.00 -0.52 0.00 0.00 37.83 38.76 3a4n s LYS 51 CO 0.19 -0.08 1.77 1.49 -0.92 0.00 0.00 175.35 177.79 3a4n h GLU 52 N 5.13 0.14 0.00 1.68 4.57 -1.98 -0.88 114.58 123.24 3a4n h GLU 52 Ca -0.27 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 3a4n h GLU 52 Cb 1.18 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3a4n h GLU 52 CO 0.32 0.09 0.00 1.57 -1.18 0.00 0.00 179.01 179.81 3a4n h LYS 53 N 0.14 0.00 0.00 1.92 2.10 -2.03 -2.96 116.57 115.75 3a4n h LYS 53 Ca 0.62 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.19 3a4n h LYS 53 Cb 2.09 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.41 3a4n h LYS 53 CO -0.15 0.00 -0.35 1.88 -2.00 0.00 0.00 179.45 178.83 3a4n h TYR 54 N 0.00 0.00 -0.56 0.07 0.05 -1.57 -3.33 116.97 111.63 3a4n h TYR 54 Ca 0.00 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.86 3a4n h TYR 54 Cb 0.79 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.49 3a4n h TYR 54 CO 0.00 0.35 0.38 0.93 -1.05 0.00 0.00 178.16 178.77 3a4n h GLU 55 N 0.00 0.41 -0.33 4.88 4.39 -1.66 -0.36 114.58 121.91 3a4n h GLU 55 Ca -0.00 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 3a4n h GLU 55 Cb 0.69 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3a4n h GLU 55 CO 0.05 0.27 0.06 1.49 -1.16 0.00 0.00 179.01 179.72 3a4n h GLU 56 N 0.43 0.55 0.00 2.33 4.81 -1.80 0.46 114.58 121.36 3a4n h GLU 56 Ca 0.25 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 59.21 3a4n h GLU 56 Cb 0.44 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3a4n h GLU 56 CO -0.07 0.62 -0.60 0.35 -0.73 0.00 0.00 179.01 178.58 3a4n h PHE 57 N 0.38 0.00 0.01 0.92 3.57 -1.33 -1.48 116.94 119.02 3a4n h PHE 57 Ca 0.10 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 3a4n h PHE 57 Cb 0.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3a4n h PHE 57 CO 0.02 0.60 -0.01 0.82 -2.23 0.00 0.00 178.31 177.52 3a4n h ILE 58 N 0.00 1.33 0.11 1.41 2.04 -1.11 -0.10 117.51 121.19 3a4n h ILE 58 Ca -0.01 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.82 3a4n h ILE 58 Cb 1.13 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 39.19 3a4n h ILE 58 CO 0.08 0.27 -0.49 0.50 0.00 0.00 0.00 178.15 178.51 3a4n h LYS 59 N -0.47 -0.67 -0.90 2.37 3.64 -0.85 -2.01 116.57 117.69 3a4n h LYS 59 Ca -0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3a4n h LYS 59 Cb 0.45 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 3a4n h LYS 59 CO 0.00 -0.45 0.56 -0.22 -2.27 0.00 0.00 179.45 177.08 3a4n h LYS 60 N -0.69 1.21 -0.55 1.90 3.64 -1.31 -2.51 116.57 118.26 3a4n h LYS 60 Ca -0.01 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3a4n h LYS 60 Cb 0.70 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3a4n h LYS 60 CO -0.27 0.83 0.25 0.77 -2.27 0.00 0.00 179.45 178.77 3a4n h SER 61 N 1.23 0.73 0.25 4.20 0.02 -0.90 -0.30 113.55 118.78 3a4n h SER 61 Ca 0.33 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3a4n h SER 61 Cb -0.08 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 3a4n h SER 61 CO -0.06 0.66 -0.25 0.74 -1.14 0.00 0.00 176.83 176.78 3a4n h THR 62 N 0.74 0.46 -0.92 -2.27 2.02 -1.01 -0.06 112.91 111.87 3a4n h THR 62 Ca 0.19 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.47 3a4n h THR 62 Cb 0.14 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 66.94 3a4n h THR 62 CO -0.02 0.00 0.59 1.88 0.37 0.00 0.00 175.52 178.34 3a4n h TYR 63 N -0.54 1.00 -0.59 3.16 0.05 -1.36 -1.05 116.97 117.65 3a4n h TYR 63 Ca -0.01 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.75 3a4n h TYR 63 Cb 0.50 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 3a4n h TYR 63 CO -0.17 0.44 0.17 0.00 -1.05 0.00 0.00 178.16 177.56 3a4n h ARG 64 N 0.91 0.92 -0.56 4.88 3.08 -0.53 0.74 114.38 123.83 3a4n h ARG 64 Ca 0.44 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 60.20 3a4n h ARG 64 Cb 0.44 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3a4n h ARG 64 CO -0.20 0.83 0.03 -0.07 -1.07 0.00 0.00 179.97 179.49 3a4n h LEU 65 N 0.83 0.95 0.10 3.04 3.38 -0.38 -2.11 115.31 121.13 3a4n h LEU 65 Ca 0.19 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3a4n h LEU 65 Cb 0.30 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3a4n h LEU 65 CO -0.00 1.01 -0.05 0.40 0.09 0.00 0.00 178.44 179.88 3a4n h ILE 66 N 0.86 1.10 -0.46 1.22 2.04 -1.03 0.32 117.51 121.55 3a4n h ILE 66 Ca 0.16 -0.88 0.08 0.00 1.00 0.00 0.00 64.86 65.22 3a4n h ILE 66 Cb 0.50 1.65 -0.10 0.00 -0.74 0.00 0.00 36.82 38.13 3a4n h ILE 66 CO 0.02 0.21 -0.36 -0.78 0.00 0.00 0.00 178.15 177.24 3a4n h ASP 67 N -0.56 -1.21 -0.48 1.72 1.82 -0.86 0.41 116.42 117.25 3a4n h ASP 67 Ca -0.01 0.21 -0.13 0.00 -0.39 0.00 0.00 57.03 56.70 3a4n h ASP 67 Cb 0.45 0.56 -0.01 0.00 0.68 0.00 0.00 39.33 41.01 3a4n h ASP 67 CO 0.02 -0.33 -0.21 -1.28 -1.61 0.00 0.00 179.24 175.83 3a4n h SER 68 N -0.25 1.03 -0.65 2.28 0.87 -1.32 -2.78 113.55 112.73 3a4n h SER 68 Ca 0.18 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 60.30 3a4n h SER 68 Cb 0.56 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 3a4n h SER 68 CO -0.59 1.19 0.20 0.00 -0.53 0.00 0.00 176.83 177.10 3a4n h ALA 69 N 0.88 0.86 0.00 6.23 0.00 0.17 -3.09 119.26 124.30 3a4n h ALA 69 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3a4n h ALA 69 Cb 0.79 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3a4n h ALA 69 CO 0.07 0.54 0.00 1.25 0.00 0.00 0.00 179.25 181.10 3a4n h LEU 70 N 0.95 0.00 -0.83 0.00 5.85 0.09 0.31 115.31 121.68 3a4n h LEU 70 Ca 0.21 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3a4n h LEU 70 Cb 0.31 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3a4n h LEU 70 CO -0.01 0.00 -0.26 0.07 -0.34 0.00 0.00 178.44 177.90 3a4n h LYS 71 N 0.00 0.00 0.00 1.25 2.10 -1.53 -3.36 116.57 115.03 3a4n h LYS 71 Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 3a4n h LYS 71 Cb 0.14 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.44 3a4n h LYS 71 CO 0.00 0.26 -1.64 0.09 -2.00 0.00 0.00 179.45 176.17 3a4n n ASN 72 N -3.34 2.74 -4.15 7.07 3.02 0.80 -5.08 115.26 116.33 3a4n n ASN 72 Ca 0.01 -0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 3a4n n ASN 72 Cb 0.49 0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 40.23 3a4n n ASN 72 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3a4n s TYR 73 N -2.22 0.81 0.50 3.10 2.02 0.41 -4.99 117.35 116.97 3a4n s TYR 73 Ca -0.05 -0.92 -0.23 0.00 -0.37 0.00 0.00 57.07 55.50 3a4n s TYR 73 Cb 0.03 -0.48 -0.06 0.00 -0.40 0.00 0.00 41.96 41.04 3a4n s TYR 73 CO 0.37 -0.19 1.31 -1.58 -1.57 0.00 0.00 175.55 173.89 3a4n s TRP 74 N -3.55 2.50 -0.06 2.71 0.52 -0.12 -4.20 118.94 116.75 3a4n s TRP 74 Ca 0.10 1.41 0.02 0.00 0.02 0.00 0.00 56.10 57.64 3a4n s TRP 74 Cb 0.05 -3.69 0.01 0.00 -1.15 0.00 0.00 33.47 28.69 3a4n s TRP 74 CO -0.05 -2.47 -0.11 0.08 0.02 0.00 0.00 176.95 174.42 3a4n s VAL 75 N -1.35 1.01 -0.27 4.03 1.01 -0.98 -1.64 120.40 122.21 3a4n s VAL 75 Ca 0.67 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 3a4n s VAL 75 Cb -0.37 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3a4n s VAL 75 CO 0.45 0.33 0.15 -0.63 0.00 0.00 0.00 175.10 175.40 3a4n s ILE 76 N 0.69 5.00 -0.42 2.22 1.01 -0.05 0.27 121.20 129.92 3a4n s ILE 76 Ca -0.14 0.06 -0.21 0.00 0.00 0.00 0.00 60.65 60.37 3a4n s ILE 76 Cb -0.15 -3.37 0.02 0.00 0.01 0.00 0.00 42.46 38.97 3a4n s ILE 76 CO 0.03 0.28 0.64 -0.69 0.00 0.00 0.00 174.94 175.20 3a4n s VAL 77 N 1.67 4.84 -1.13 2.92 1.01 0.13 -1.35 120.40 128.50 3a4n s VAL 77 Ca 0.07 0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.21 3a4n s VAL 77 Cb -0.16 -4.17 0.27 0.00 0.00 0.00 0.00 36.38 32.33 3a4n s VAL 77 CO 0.08 -0.53 1.45 -0.67 0.00 0.00 0.00 175.10 175.44 3a4n n ASP 78 N 6.20 5.95 -4.30 3.32 4.64 0.53 -2.09 116.55 130.80 3a4n n ASP 78 Ca -0.02 -3.25 -0.16 0.00 -1.38 0.00 0.00 54.79 49.98 3a4n n ASP 78 Cb 0.48 -1.35 -0.10 0.00 -1.04 0.00 0.00 41.12 39.11 3a4n n ASP 78 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 3a4n s ASP 79 N -0.38 2.15 0.20 1.67 1.01 -1.26 -4.43 116.67 115.63 3a4n s ASP 79 Ca 0.33 -1.02 -0.17 0.00 0.71 0.00 0.00 52.55 52.40 3a4n s ASP 79 Cb 0.02 -0.07 0.18 0.00 1.01 0.00 0.00 42.92 44.06 3a4n s ASP 79 CO 0.04 -0.26 1.61 0.74 0.21 0.00 0.00 175.17 177.51 3a4n h THR 80 N 2.67 0.30 -6.48 -1.27 2.02 -1.87 -3.36 112.91 104.91 3a4n h THR 80 Ca -0.37 0.00 -0.50 0.00 0.77 0.00 0.00 66.41 66.31 3a4n h THR 80 Cb 1.20 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 3a4n h THR 80 CO 0.63 0.00 -0.88 0.59 0.37 0.00 0.00 175.52 176.23 3a4n n ASN 81 N -5.43 -0.53 -0.32 4.18 3.02 -1.26 -1.77 115.26 113.16 3a4n n ASN 81 Ca 0.06 -0.99 0.07 0.00 -0.03 0.00 0.00 54.58 53.69 3a4n n ASN 81 Cb 0.34 -3.10 0.23 0.00 -0.61 0.00 0.00 39.78 36.64 3a4n n ASN 81 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3a4n h TYR 82 N -1.83 0.92 -2.71 3.10 3.20 -1.92 -3.43 116.97 114.30 3a4n h TYR 82 Ca -0.63 0.03 -0.66 0.00 3.14 0.00 0.00 58.73 60.62 3a4n h TYR 82 Cb 1.37 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 39.31 3a4n h TYR 82 CO 0.49 0.28 -0.49 0.71 -1.64 0.00 0.00 178.16 177.51 3a4n s TYR 83 N -5.96 3.57 0.52 -3.82 2.02 -1.26 -4.78 117.35 107.64 3a4n s TYR 83 Ca -0.12 0.46 0.29 0.00 -0.37 0.00 0.00 57.07 57.34 3a4n s TYR 83 Cb 0.22 -1.90 1.69 0.00 -0.40 0.00 0.00 41.96 41.58 3a4n s TYR 83 CO 0.79 0.70 2.18 -2.95 -1.57 0.00 0.00 175.55 174.71 3a4n h ASN 84 N 4.56 0.00 0.48 2.29 7.08 -1.93 -1.18 115.58 126.89 3a4n h ASN 84 Ca -0.53 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 52.63 3a4n h ASN 84 Cb 1.21 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.44 3a4n h ASN 84 CO 0.62 0.05 -0.31 0.77 -2.08 0.00 0.00 177.43 176.47 3a4n h SER 85 N 0.00 0.00 -0.24 6.14 4.64 -1.95 0.10 113.55 122.24 3a4n h SER 85 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3a4n h SER 85 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3a4n h SER 85 CO 0.01 0.31 -0.52 0.24 -0.87 0.00 0.00 176.83 176.00 3a4n h MET 86 N 0.00 0.82 -0.38 4.77 2.86 -1.58 -1.31 114.93 120.12 3a4n h MET 86 Ca -0.00 -0.51 -0.09 0.00 -2.06 0.00 0.00 59.70 57.04 3a4n h MET 86 Cb 0.64 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 3a4n h MET 86 CO 0.04 1.14 -0.14 0.00 1.06 0.00 0.00 176.91 179.01 3a4n h ARG 87 N 0.64 0.69 -0.07 1.72 3.08 -1.30 -2.24 114.38 116.91 3a4n h ARG 87 Ca 0.02 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 3a4n h ARG 87 Cb 1.12 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 3a4n h ARG 87 CO 0.11 0.80 0.04 -0.09 -1.07 0.00 0.00 179.97 179.76 3a4n h ARG 88 N 0.63 0.09 -0.51 0.04 2.43 -0.69 -1.21 114.38 115.16 3a4n h ARG 88 Ca 0.11 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.37 3a4n h ARG 88 Cb 0.59 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.04 3a4n h ARG 88 CO 0.04 0.12 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.15 3a4n h ASP 89 N 0.03 -0.28 -0.53 -3.80 3.32 -0.98 0.41 116.42 114.60 3a4n h ASP 89 Ca 0.02 0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 3a4n h ASP 89 Cb 0.06 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3a4n h ASP 89 CO -0.00 -0.10 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.31 3a4n h LEU 90 N 0.08 0.95 -0.44 1.55 3.38 -1.30 -2.56 115.31 116.97 3a4n h LEU 90 Ca 0.25 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3a4n h LEU 90 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3a4n h LEU 90 CO -0.45 1.04 0.28 0.40 0.09 0.00 0.00 178.44 179.81 3a4n h ILE 91 N 0.83 1.10 -0.13 1.22 2.04 -0.48 -0.20 117.51 121.90 3a4n h ILE 91 Ca 0.15 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.84 3a4n h ILE 91 Cb 0.58 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3a4n h ILE 91 CO 0.03 0.11 0.14 0.78 0.00 0.00 0.00 178.15 179.21 3a4n h ASN 92 N 0.58 0.00 -0.04 1.72 2.35 -0.74 0.12 115.58 119.57 3a4n h ASN 92 Ca 0.16 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3a4n h ASN 92 Cb -0.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 3a4n h ASN 92 CO -0.04 0.00 -0.00 0.40 -1.65 0.00 0.00 177.43 176.13 3a4n h ILE 93 N 0.00 1.27 -0.46 2.81 2.04 -0.63 -1.47 117.51 121.07 3a4n h ILE 93 Ca 0.06 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.16 3a4n h ILE 93 Cb 0.33 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 3a4n h ILE 93 CO -0.00 0.22 0.16 0.00 0.00 0.00 0.00 178.15 178.53 3a4n h ALA 94 N 0.68 0.56 -0.83 1.87 0.00 -0.83 -2.40 119.26 118.30 3a4n h ALA 94 Ca 0.01 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.07 3a4n h ALA 94 Cb 0.36 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3a4n h ALA 94 CO 0.00 -0.23 0.49 -0.22 0.00 0.00 0.00 179.25 179.29 3a4n h LYS 95 N 0.34 0.81 -0.99 0.00 3.64 -0.75 0.12 116.57 119.73 3a4n h LYS 95 Ca 0.22 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 3a4n h LYS 95 Cb 0.22 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 3a4n h LYS 95 CO -0.22 0.54 0.64 -0.22 -2.27 0.00 0.00 179.45 177.91 3a4n h LYS 96 N 0.83 1.07 -0.43 1.90 3.64 -0.73 -1.67 116.57 121.19 3a4n h LYS 96 Ca 0.39 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3a4n h LYS 96 Cb 0.32 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3a4n h LYS 96 CO -0.23 0.71 0.00 0.66 -2.27 0.00 0.00 179.45 178.32 3a4n n TYR 97 N -4.53 0.56 -2.83 1.91 4.01 -0.97 -4.99 117.16 110.34 3a4n n TYR 97 Ca 0.16 -0.40 -0.20 0.00 -0.16 0.00 0.00 57.90 57.30 3a4n n TYR 97 Cb 0.24 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.28 3a4n n TYR 97 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3a4n n ASN 98 N 1.04 -5.76 -4.86 7.72 4.05 0.24 -5.00 115.26 112.68 3a4n n ASN 98 Ca 0.16 -0.21 -0.33 0.00 0.45 0.00 0.00 54.58 54.66 3a4n n ASN 98 Cb 0.50 -4.63 -0.06 0.00 1.23 0.00 0.00 39.78 36.82 3a4n n ASN 98 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3a4n s LYS 99 N -5.47 3.87 0.88 1.20 -0.14 -0.13 -4.73 119.74 115.23 3a4n s LYS 99 Ca 0.22 0.38 -0.12 0.00 -1.36 0.00 0.00 55.97 55.09 3a4n s LYS 99 Cb -0.10 -2.66 0.12 0.00 -1.68 0.00 0.00 37.83 33.52 3a4n s LYS 99 CO 0.27 0.31 1.10 1.21 -0.76 0.00 0.00 175.35 177.48 3a4n s ASN 100 N -2.24 3.65 0.10 2.83 3.84 -1.25 -4.52 114.94 117.35 3a4n s ASN 100 Ca 0.47 1.35 -0.11 0.00 0.21 0.00 0.00 52.86 54.78 3a4n s ASN 100 Cb -0.12 -2.04 0.01 0.00 -0.55 0.00 0.00 41.25 38.55 3a4n s ASN 100 CO 0.20 -2.51 0.26 -0.72 -2.79 0.00 0.00 177.10 171.55 3a4n s TYR 101 N -3.03 0.05 -0.07 0.43 1.13 -1.26 -1.45 117.35 113.14 3a4n s TYR 101 Ca 0.63 -0.44 -0.03 0.00 -1.41 0.00 0.00 57.07 55.82 3a4n s TYR 101 Cb -0.17 0.05 0.04 0.00 -1.10 0.00 0.00 41.96 40.78 3a4n s TYR 101 CO 0.56 -0.61 0.13 0.00 -2.51 0.00 0.00 175.55 173.12 3a4n s ALA 102 N -3.85 -0.03 -0.15 9.51 0.00 -0.76 -4.96 121.76 121.53 3a4n s ALA 102 Ca 0.05 0.42 -0.28 0.00 0.00 0.00 0.00 51.96 52.16 3a4n s ALA 102 Cb 0.04 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 3a4n s ALA 102 CO -0.11 -0.56 0.94 0.42 0.00 0.00 0.00 175.76 176.45 3a4n s ILE 103 N 2.25 4.81 -0.24 0.00 1.01 -1.26 -1.24 121.20 126.53 3a4n s ILE 103 Ca 0.04 1.88 -0.02 0.00 0.00 0.00 0.00 60.65 62.55 3a4n s ILE 103 Cb -0.12 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.12 3a4n s ILE 103 CO -0.05 -0.01 -0.07 -0.63 0.00 0.00 0.00 174.94 174.18 3a4n s ILE 104 N 2.23 2.90 -0.39 2.92 1.01 0.57 -0.69 121.20 129.74 3a4n s ILE 104 Ca 0.44 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 3a4n s ILE 104 Cb -0.17 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 39.89 3a4n s ILE 104 CO 0.14 0.28 0.29 -0.47 0.00 0.00 0.00 174.94 175.18 3a4n s TYR 105 N 1.35 3.24 -0.08 3.97 5.04 0.10 -2.32 117.35 128.66 3a4n s TYR 105 Ca 0.02 -0.48 -0.13 0.00 -2.44 0.00 0.00 57.07 54.03 3a4n s TYR 105 Cb -0.16 -2.57 -0.05 0.00 0.35 0.00 0.00 41.96 39.53 3a4n s TYR 105 CO -0.05 -0.53 0.33 -0.51 -1.34 0.00 0.00 175.55 173.45 3a4n s LEU 106 N 1.71 4.37 0.10 6.97 1.43 -0.82 -0.70 118.68 131.73 3a4n s LEU 106 Ca 0.06 0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 3a4n s LEU 106 Cb -0.19 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 3a4n s LEU 106 CO 0.10 0.24 0.02 -1.59 0.23 0.00 0.00 176.35 175.35 3a4n s LYS 107 N -0.45 0.81 0.22 1.70 -2.85 -0.69 -4.50 119.74 113.98 3a4n s LYS 107 Ca 0.20 -1.36 -0.22 0.00 -1.00 0.00 0.00 55.97 53.59 3a4n s LYS 107 Cb -0.15 0.19 0.04 0.00 -2.06 0.00 0.00 37.83 35.86 3a4n s LYS 107 CO 0.09 -0.19 0.72 0.00 0.10 0.00 0.00 175.35 176.07 3a4n s ALA 108 N -3.97 -1.41 0.43 0.59 0.00 -1.26 -2.06 121.76 114.09 3a4n s ALA 108 Ca 0.17 0.04 -0.22 0.00 0.00 0.00 0.00 51.96 51.95 3a4n s ALA 108 Cb 0.08 0.82 -0.10 0.00 0.00 0.00 0.00 23.12 23.92 3a4n s ALA 108 CO -0.03 -0.94 1.00 -1.54 0.00 0.00 0.00 175.76 174.25 3a4n s SER 109 N -2.85 6.75 0.47 0.00 1.04 -1.26 -4.86 113.70 112.98 3a4n s SER 109 Ca 0.08 1.86 0.22 0.00 0.48 0.00 0.00 55.95 58.59 3a4n s SER 109 Cb -0.04 -2.56 1.23 0.00 0.10 0.00 0.00 66.02 64.75 3a4n s SER 109 CO -0.00 -0.50 1.89 0.25 0.98 0.00 0.00 173.24 175.86 3a4n h LEU 110 N 2.06 0.24 -0.66 2.42 7.12 -2.00 -1.10 115.31 123.38 3a4n h LEU 110 Ca -0.49 0.02 -0.10 0.00 0.13 0.00 0.00 57.88 57.45 3a4n h LEU 110 Cb 1.20 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 41.29 3a4n h LEU 110 CO 0.61 0.10 -0.01 -0.78 -0.13 0.00 0.00 178.44 178.23 3a4n h ASP 111 N 0.25 1.01 -0.18 1.25 3.58 -2.00 -1.95 116.42 118.38 3a4n h ASP 111 Ca 0.42 -0.29 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 3a4n h ASP 111 Cb 1.24 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 3a4n h ASP 111 CO -0.10 1.07 -0.06 0.58 -2.88 0.00 0.00 179.24 177.85 3a4n h VAL 112 N 0.94 1.29 -0.65 2.25 2.07 -1.59 -2.82 116.25 117.74 3a4n h VAL 112 Ca 0.17 -1.05 0.09 0.00 0.82 0.00 0.00 66.70 66.72 3a4n h VAL 112 Cb 0.56 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.88 3a4n h VAL 112 CO 0.03 0.31 0.30 -0.07 0.02 0.00 0.00 177.57 178.17 3a4n h LEU 113 N 0.05 0.38 -0.03 2.57 3.38 -1.26 -2.02 115.31 118.38 3a4n h LEU 113 Ca 0.04 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3a4n h LEU 113 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3a4n h LEU 113 CO 0.02 0.23 -0.09 0.40 0.09 0.00 0.00 178.44 179.08 3a4n h ILE 114 N 0.53 0.75 -0.09 1.22 1.08 -1.30 -1.36 117.51 118.35 3a4n h ILE 114 Ca 0.32 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.68 3a4n h ILE 114 Cb 0.33 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 3a4n h ILE 114 CO -0.26 0.00 -0.45 0.08 -0.69 0.00 0.00 178.15 176.82 3a4n h ARG 115 N -0.15 0.21 -0.54 2.37 0.11 -1.30 -0.57 114.38 114.51 3a4n h ARG 115 Ca 0.04 -0.11 0.06 0.00 0.10 0.00 0.00 59.98 60.08 3a4n h ARG 115 Cb 0.21 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.24 3a4n h ARG 115 CO -0.11 0.63 0.23 0.00 0.10 0.00 0.00 179.97 180.81 3a4n h ARG 116 N 0.17 0.43 0.19 0.08 2.47 -1.01 0.22 114.38 116.93 3a4n h ARG 116 Ca 0.01 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 3a4n h ARG 116 Cb 0.87 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 3a4n h ARG 116 CO 0.07 0.28 -0.09 -0.97 0.56 0.00 0.00 179.97 179.82 3a4n h ASN 117 N 0.44 -0.21 -0.82 7.04 -1.24 -0.18 -0.70 115.58 119.91 3a4n h ASN 117 Ca 0.25 -0.05 0.20 0.00 0.71 0.00 0.00 56.30 57.42 3a4n h ASN 117 Cb 0.23 0.06 -0.13 0.00 0.73 0.00 0.00 38.32 39.21 3a4n h ASN 117 CO -0.22 -0.09 0.15 0.40 -1.29 0.00 0.00 177.43 176.38 3a4n h ILE 118 N -0.32 0.35 0.00 2.57 2.04 -0.94 0.25 117.51 121.46 3a4n h ILE 118 Ca -0.03 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3a4n h ILE 118 Cb 0.25 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3a4n h ILE 118 CO 0.04 0.03 -0.10 -0.33 0.00 0.00 0.00 178.15 177.80 3a4n h GLU 119 N 0.19 0.00 -0.01 2.37 5.08 -0.05 -2.70 114.58 119.46 3a4n h GLU 119 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 3a4n h GLU 119 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3a4n h GLU 119 CO -0.64 0.10 -0.23 0.54 -1.00 0.00 0.00 179.01 177.78 3a4n n ARG 120 N -3.30 0.88 0.00 2.33 3.00 0.72 -4.90 116.66 115.39 3a4n n ARG 120 Ca -0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 57.85 57.34 3a4n n ARG 120 Cb 0.32 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.29 3a4n n ARG 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3a4n n GLY 121 N 1.32 1.15 3.68 -0.13 0.00 -0.83 -4.40 105.19 105.98 3a4n n GLY 121 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3a4n n GLY 121 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3a4n n GLU 122 N -1.56 -1.01 0.09 1.61 2.13 -0.24 -4.86 120.64 116.80 3a4n n GLU 122 Ca 0.00 0.42 -0.18 0.00 0.66 0.00 0.00 57.16 58.06 3a4n n GLU 122 Cb 0.00 -1.77 -0.11 0.00 0.27 0.00 0.00 31.44 29.83 3a4n n GLU 122 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3a4n h LYS 123 N -0.45 0.47 -5.89 5.31 6.56 -1.80 -3.42 116.57 117.37 3a4n h LYS 123 Ca -0.54 -0.64 -0.61 0.00 -1.06 0.00 0.00 60.65 57.81 3a4n h LYS 123 Cb 1.13 0.21 -0.06 0.00 -0.57 0.00 0.00 32.23 32.94 3a4n h LYS 123 CO 0.33 1.27 -0.23 0.42 -2.06 0.00 0.00 179.45 179.17 3a4n s ILE 124 N -2.97 5.12 0.25 1.86 1.01 -1.26 -4.95 121.20 120.26 3a4n s ILE 124 Ca -0.07 0.77 -0.30 0.00 0.00 0.00 0.00 60.65 61.06 3a4n s ILE 124 Cb 0.07 -3.69 -0.09 0.00 0.01 0.00 0.00 42.46 38.75 3a4n s ILE 124 CO 0.90 0.53 1.29 -2.84 0.00 0.00 0.00 174.94 174.82 3a4n s PRO 125 N -0.67 4.41 0.40 2.79 0.02 -1.26 -4.89 135.00 135.79 3a4n s PRO 125 Ca 0.22 2.08 0.17 0.00 0.02 0.00 0.00 61.00 63.50 3a4n s PRO 125 Cb -0.16 -3.15 1.07 0.00 0.02 0.00 0.00 34.50 32.28 3a4n s PRO 125 CO 0.11 -0.18 1.81 -0.91 -0.33 0.00 0.00 177.00 177.50 3a4n h ASN 126 N 4.53 0.45 0.00 2.53 2.35 -1.95 -1.10 115.58 122.40 3a4n h ASN 126 Ca -0.46 0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.22 3a4n h ASN 126 Cb 1.22 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 3a4n h ASN 126 CO 0.72 0.13 -0.42 -0.08 -1.65 0.00 0.00 177.43 176.14 3a4n h GLU 127 N 0.43 0.52 -0.59 0.81 4.57 -1.99 -0.55 114.58 117.77 3a4n h GLU 127 Ca 0.54 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 3a4n h GLU 127 Cb 1.34 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.90 3a4n h GLU 127 CO -0.25 0.84 0.30 0.28 -1.18 0.00 0.00 179.01 179.00 3a4n h VAL 128 N 0.42 1.21 -0.46 0.32 2.07 -1.59 0.46 116.25 118.68 3a4n h VAL 128 Ca 0.03 -0.57 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 3a4n h VAL 128 Cb 0.91 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3a4n h VAL 128 CO 0.08 0.23 -0.04 0.40 0.02 0.00 0.00 177.57 178.27 3a4n h ILE 129 N 0.81 1.25 -0.53 4.57 2.04 -1.05 0.61 117.51 125.20 3a4n h ILE 129 Ca 0.21 -1.05 -0.12 0.00 1.00 0.00 0.00 64.86 64.89 3a4n h ILE 129 Cb 0.10 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3a4n h ILE 129 CO -0.03 0.37 -0.13 0.50 0.00 0.00 0.00 178.15 178.86 3a4n h LYS 130 N 0.73 1.03 -0.43 2.37 1.63 -0.88 -0.10 116.57 120.92 3a4n h LYS 130 Ca 0.14 -0.40 -0.07 0.00 -0.85 0.00 0.00 60.65 59.47 3a4n h LYS 130 Cb 0.49 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 3a4n h LYS 130 CO 0.03 1.09 0.01 -0.22 -3.45 0.00 0.00 179.45 176.90 3a4n h LYS 131 N 0.90 0.76 -0.87 1.90 1.63 -0.22 -2.23 116.57 118.44 3a4n h LYS 131 Ca 0.13 -0.24 0.05 0.00 -0.85 0.00 0.00 60.65 59.74 3a4n h LYS 131 Cb 0.71 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 32.21 3a4n h LYS 131 CO 0.05 0.82 0.55 0.52 -3.45 0.00 0.00 179.45 177.95 3a4n h MET 132 N 0.60 1.00 -0.24 1.90 2.86 0.42 -3.01 114.93 118.47 3a4n h MET 132 Ca 0.12 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 3a4n h MET 132 Cb 0.48 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3a4n h MET 132 CO 0.02 0.66 -0.15 -0.92 1.06 0.00 0.00 176.91 177.58 3a4n h TYR 133 N 1.04 0.62 0.00 -0.22 3.20 -0.78 -2.17 116.97 118.65 3a4n h TYR 133 Ca 0.36 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3a4n h TYR 133 Cb 0.09 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.22 3a4n h TYR 133 CO -0.02 0.82 0.00 0.93 -1.64 0.00 0.00 178.16 178.24 3a4n h GLU 134 N 0.24 0.00 -0.00 1.82 5.08 -1.27 -2.95 114.58 117.50 3a4n h GLU 134 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3a4n h GLU 134 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3a4n h GLU 134 CO 0.04 0.00 -0.01 1.17 -1.00 0.00 0.00 179.01 179.21 3a4n n LYS 135 N -2.60 5.04 -1.95 2.33 3.00 -1.15 -4.97 118.16 117.86 3a4n n LYS 135 Ca -0.01 -0.12 -0.43 0.00 -0.00 0.00 0.00 58.31 57.75 3a4n n LYS 135 Cb 0.10 -0.63 -0.03 0.00 0.00 0.00 0.00 35.03 34.47 3a4n n LYS 135 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3a4n s PHE 136 N -0.81 1.75 -0.20 5.64 5.99 -0.83 -4.98 117.98 124.55 3a4n s PHE 136 Ca 0.00 0.52 -0.28 0.00 0.00 0.00 0.00 56.93 57.17 3a4n s PHE 136 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 43.02 38.96 3a4n s PHE 136 CO 0.01 -3.29 0.99 -0.51 -0.00 0.00 0.00 175.22 172.42 3a4n s ASP 137 N 5.83 7.09 0.29 6.13 1.11 -1.26 -5.03 116.67 130.82 3a4n s ASP 137 Ca 0.81 1.35 -0.29 0.00 0.18 0.00 0.00 52.55 54.60 3a4n s ASP 137 Cb -0.26 -2.52 -0.10 0.00 1.07 0.00 0.00 42.92 41.11 3a4n s ASP 137 CO 0.33 -0.58 1.24 -1.61 1.18 0.00 0.00 175.17 175.73 3a4n s GLU 138 N 2.79 4.46 0.22 8.23 2.02 -1.26 -4.93 118.70 130.23 3a4n s GLU 138 Ca 0.43 2.04 -0.32 0.00 0.02 0.00 0.00 54.97 57.14 3a4n s GLU 138 Cb -0.16 -3.14 -0.14 0.00 0.10 0.00 0.00 34.13 30.79 3a4n s GLU 138 CO 0.09 -0.07 1.39 -2.30 0.02 0.00 0.00 175.26 174.40 3a4n n PRO 139 N 1.32 1.90 -0.69 0.39 -0.02 -1.26 -2.66 135.00 133.97 3a4n n PRO 139 Ca 0.01 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3a4n n PRO 139 Cb 0.43 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3a4n n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a4n n GLY 140 N 2.29 0.77 0.18 -1.23 0.00 -0.92 -4.41 105.19 101.87 3a4n n GLY 140 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3a4n n GLY 140 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3a4n n LYS 141 N -2.29 0.87 0.00 1.61 2.85 -1.09 -4.13 118.16 115.98 3a4n n LYS 141 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3a4n n LYS 141 Cb 0.00 -1.15 0.00 0.00 -0.65 0.00 0.00 35.03 33.23 3a4n n LYS 141 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3a4n n LYS 142 N -0.30 0.00 -4.26 -1.58 3.00 -1.26 -5.11 118.16 108.65 3a4n n LYS 142 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.04 3a4n n LYS 142 Cb 0.08 -0.29 -0.17 0.00 0.00 0.00 0.00 35.03 34.65 3a4n n LYS 142 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3a4n s TYR 143 N -1.00 1.72 0.10 5.64 2.02 -1.26 -5.04 117.35 119.54 3a4n s TYR 143 Ca 0.00 -0.81 -0.20 0.00 -0.37 0.00 0.00 57.07 55.69 3a4n s TYR 143 Cb 0.00 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 3a4n s TYR 143 CO 0.00 -0.47 1.03 1.63 -1.57 0.00 0.00 175.55 176.17 3a4n n LYS 144 N 4.41 -0.28 0.03 -0.62 4.01 -1.26 0.45 118.16 124.90 3a4n n LYS 144 Ca -0.18 1.01 0.02 0.00 -0.51 0.00 0.00 58.31 58.66 3a4n n LYS 144 Cb 0.51 -1.49 0.11 0.00 -0.51 0.00 0.00 35.03 33.65 3a4n n LYS 144 CO 0.00 0.00 0.00 -2.67 -1.11 0.00 0.00 177.40 173.62 3a4n n TRP 145 N -4.71 0.14 0.18 2.13 4.27 -1.26 -1.71 117.44 116.49 3a4n n TRP 145 Ca 0.01 0.07 0.11 0.00 -3.89 0.00 0.00 57.50 53.81 3a4n n TRP 145 Cb 0.17 -0.59 0.27 0.00 -1.36 0.00 0.00 31.31 29.80 3a4n n TRP 145 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 3a4n n ASP 146 N -1.62 3.38 -4.71 -0.67 2.03 0.17 -4.97 116.55 110.17 3a4n n ASP 146 Ca -0.00 -1.97 -0.42 0.00 0.52 0.00 0.00 54.79 52.91 3a4n n ASP 146 Cb 0.04 -0.33 -0.03 0.00 -0.72 0.00 0.00 41.12 40.08 3a4n n ASP 146 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3a4n s GLU 147 N -1.34 4.53 0.27 -0.67 2.56 -0.69 -2.17 118.70 121.19 3a4n s GLU 147 Ca 0.41 1.42 -0.31 0.00 0.00 0.00 0.00 54.97 56.50 3a4n s GLU 147 Cb 0.23 -3.47 -0.12 0.00 2.00 0.00 0.00 34.13 32.77 3a4n s GLU 147 CO 0.31 -0.11 1.63 -2.14 -0.56 0.00 0.00 175.26 174.39 3a4n s PRO 148 N 1.21 4.12 0.05 4.30 0.02 -1.26 -4.64 135.00 138.80 3a4n s PRO 148 Ca 0.51 2.60 -0.21 0.00 0.02 0.00 0.00 61.00 63.92 3a4n s PRO 148 Cb -0.21 -3.03 -0.13 0.00 0.02 0.00 0.00 34.50 31.15 3a4n s PRO 148 CO 0.26 -0.67 1.44 0.35 -0.33 0.00 0.00 177.00 178.04 3a4n h PHE 149 N 5.38 0.30 -3.75 6.54 3.57 -1.26 -3.44 116.94 124.28 3a4n h PHE 149 Ca -0.46 -0.06 -0.56 0.00 3.53 0.00 0.00 57.97 60.41 3a4n h PHE 149 Cb 1.21 -0.07 -0.32 0.00 2.79 0.00 0.00 35.95 39.56 3a4n h PHE 149 CO 0.60 0.55 -0.84 -0.51 -2.23 0.00 0.00 178.31 175.89 3a4n s LEU 150 N -9.39 1.88 -0.24 0.59 2.01 -1.20 -5.06 118.68 107.26 3a4n s LEU 150 Ca -0.14 -0.36 -0.10 0.00 0.01 0.00 0.00 54.13 53.53 3a4n s LEU 150 Cb 0.05 -0.99 -0.05 0.00 0.01 0.00 0.00 46.19 45.22 3a4n s LEU 150 CO 0.72 0.13 0.16 -0.63 1.01 0.00 0.00 176.35 177.74 3a4n s ILE 151 N 0.19 5.34 -0.16 -0.59 1.01 -1.26 -0.72 121.20 125.02 3a4n s ILE 151 Ca -0.07 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.75 3a4n s ILE 151 Cb -0.13 -3.49 0.03 0.00 0.01 0.00 0.00 42.46 38.88 3a4n s ILE 151 CO 0.03 0.34 -0.12 -0.63 0.00 0.00 0.00 174.94 174.57 3a4n s ILE 152 N 1.10 1.47 -0.38 2.92 1.01 0.12 -4.99 121.20 122.45 3a4n s ILE 152 Ca 0.07 -0.67 -0.27 0.00 0.00 0.00 0.00 60.65 59.79 3a4n s ILE 152 Cb -0.14 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.90 3a4n s ILE 152 CO 0.05 0.35 0.99 -0.62 0.00 0.00 0.00 174.94 175.71 3a4n s ASP 153 N 1.51 6.72 0.00 3.58 -1.08 -1.26 -1.71 116.67 124.43 3a4n s ASP 153 Ca 0.03 0.64 0.30 0.00 -0.52 0.00 0.00 52.55 53.01 3a4n s ASP 153 Cb -0.14 -2.49 1.55 0.00 -1.46 0.00 0.00 42.92 40.38 3a4n s ASP 153 CO -0.10 -0.93 2.06 0.35 0.52 0.00 0.00 175.17 177.07 3a4n n THR 154 N 6.11 0.00 -0.50 1.71 -2.24 -0.87 -2.25 114.28 116.23 3a4n n THR 154 Ca 0.09 -0.01 0.10 0.00 -2.27 0.00 0.00 64.05 61.96 3a4n n THR 154 Cb 0.48 -0.46 0.32 0.00 -2.10 0.00 0.00 70.33 68.57 3a4n n THR 154 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3a4n n THR 155 N -1.21 1.46 -4.51 4.28 -2.24 -1.26 -4.92 114.28 105.87 3a4n n THR 155 Ca 0.16 -1.13 -0.24 0.00 -2.27 0.00 0.00 64.05 60.56 3a4n n THR 155 Cb 0.23 0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.64 3a4n n THR 155 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3a4n s LYS 156 N -1.49 1.75 0.49 -0.78 1.02 -0.96 -5.12 119.74 114.66 3a4n s LYS 156 Ca 0.47 -1.93 -0.22 0.00 0.02 0.00 0.00 55.97 54.31 3a4n s LYS 156 Cb 0.28 -1.39 -0.06 0.00 -0.52 0.00 0.00 37.83 36.13 3a4n s LYS 156 CO 0.26 0.01 1.21 0.34 -0.92 0.00 0.00 175.35 176.25 3a4n s ASP 157 N -3.57 5.87 -0.05 2.83 3.68 -1.26 -4.91 116.67 119.25 3a4n s ASP 157 Ca 0.33 2.40 0.04 0.00 2.13 0.00 0.00 52.55 57.46 3a4n s ASP 157 Cb 0.06 -2.61 -0.00 0.00 -1.45 0.00 0.00 42.92 38.92 3a4n s ASP 157 CO 0.15 -1.13 -0.19 -0.51 0.13 0.00 0.00 175.17 173.62 3a4n s ILE 158 N -1.51 1.59 -0.65 4.11 1.10 -1.26 -4.99 121.20 119.59 3a4n s ILE 158 Ca 0.67 -0.79 -0.12 0.00 -0.51 0.00 0.00 60.65 59.89 3a4n s ILE 158 Cb -0.31 -1.37 0.17 0.00 0.15 0.00 0.00 42.46 41.10 3a4n s ILE 158 CO 0.37 0.45 0.57 -0.62 -2.11 0.00 0.00 174.94 173.60 3a4n s ASP 159 N 0.09 6.20 0.38 4.50 2.15 -1.26 -4.92 116.67 123.81 3a4n s ASP 159 Ca -0.06 -2.32 0.14 0.00 0.43 0.00 0.00 52.55 50.74 3a4n s ASP 159 Cb -0.13 -2.12 0.76 0.00 -0.30 0.00 0.00 42.92 41.13 3a4n s ASP 159 CO 0.03 -0.65 1.83 -0.26 -0.17 0.00 0.00 175.17 175.95 3a4n h PHE 160 N 8.11 0.00 0.34 -5.34 0.04 -1.98 -1.23 116.94 116.88 3a4n h PHE 160 Ca -0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 3a4n h PHE 160 Cb 1.05 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 3a4n h PHE 160 CO 0.83 0.36 -0.23 -0.91 -0.60 0.00 0.00 178.31 177.77 3a4n h ASN 161 N 0.00 -0.57 -0.80 2.17 4.21 -1.98 0.20 115.58 118.81 3a4n h ASN 161 Ca -0.00 0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.54 3a4n h ASN 161 Cb 0.68 0.18 -0.04 0.00 -1.12 0.00 0.00 38.32 38.01 3a4n h ASN 161 CO 0.05 -0.36 0.50 -0.08 -1.29 0.00 0.00 177.43 176.25 3a4n h GLU 162 N -0.55 1.08 -0.21 0.81 4.57 -1.89 0.44 114.58 118.84 3a4n h GLU 162 Ca -0.03 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 3a4n h GLU 162 Cb 0.47 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 3a4n h GLU 162 CO 0.02 0.75 0.09 0.82 -1.18 0.00 0.00 179.01 179.51 3a4n h ILE 163 N 1.10 1.16 0.83 2.32 2.04 -1.10 0.44 117.51 124.29 3a4n h ILE 163 Ca 0.29 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 3a4n h ILE 163 Cb -0.07 1.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3a4n h ILE 163 CO -0.06 0.15 -0.40 0.00 0.00 0.00 0.00 178.15 177.85 3a4n h ALA 164 N 0.94 -1.11 -0.70 1.87 0.00 0.15 0.29 119.26 120.70 3a4n h ALA 164 Ca 0.07 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 54.89 3a4n h ALA 164 Cb 0.16 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 18.26 3a4n h ALA 164 CO -0.01 -1.12 0.00 -0.22 0.00 0.00 0.00 179.25 177.90 3a4n h LYS 165 N -1.12 0.11 -0.35 0.00 3.64 -0.13 0.27 116.57 118.99 3a4n h LYS 165 Ca -0.11 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 3a4n h LYS 165 Cb 0.85 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 3a4n h LYS 165 CO 0.19 0.07 0.11 0.87 -2.27 0.00 0.00 179.45 178.41 3a4n h LYS 166 N 0.11 0.55 -0.76 1.90 1.57 -0.61 -2.26 116.57 117.07 3a4n h LYS 166 Ca 0.38 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 3a4n h LYS 166 Cb 0.64 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3a4n h LYS 166 CO -0.61 0.58 0.29 -0.07 -0.57 0.00 0.00 179.45 179.07 3a4n h LEU 167 N 0.42 1.05 -0.68 2.94 3.38 0.13 -1.50 115.31 121.05 3a4n h LEU 167 Ca 0.11 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3a4n h LEU 167 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3a4n h LEU 167 CO -0.00 0.95 -0.21 0.40 0.09 0.00 0.00 178.44 179.67 3a4n h ILE 168 N 1.11 1.27 -0.21 1.22 2.04 -0.35 0.53 117.51 123.11 3a4n h ILE 168 Ca 0.25 -1.32 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 3a4n h ILE 168 Cb 0.23 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3a4n h ILE 168 CO -0.02 0.44 0.12 -0.33 0.00 0.00 0.00 178.15 178.36 3a4n h GLU 169 N 0.71 0.30 -0.98 2.37 5.08 -1.27 -2.96 114.58 117.81 3a4n h GLU 169 Ca 0.10 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.53 3a4n h GLU 169 Cb 0.72 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.83 3a4n h GLU 169 CO 0.06 0.28 0.62 -0.22 -1.00 0.00 0.00 179.01 178.74 3a4n h LYS 170 N 0.24 0.99 -0.08 2.33 1.63 -0.44 -2.24 116.57 118.99 3a4n h LYS 170 Ca 0.08 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 3a4n h LYS 170 Cb 0.07 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.47 3a4n h LYS 170 CO -0.01 0.65 0.10 0.66 -3.45 0.00 0.00 179.45 177.40 3a4n h SER 171 N 1.02 0.00 -0.36 4.20 4.64 -0.75 -2.07 113.55 120.23 3a4n h SER 171 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3a4n h SER 171 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3a4n h SER 171 CO -0.24 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.01 3a4n n LYS 172 N -3.69 2.35 -3.10 4.77 5.02 -0.84 -3.64 118.16 119.03 3a4n n LYS 172 Ca -0.01 -2.04 -0.28 0.00 -2.02 0.00 0.00 58.31 53.96 3a4n n LYS 172 Cb 0.20 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.70 3a4n n LYS 172 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3a4n s GLU 173 N -1.53 3.63 0.03 1.97 2.02 -0.78 -3.73 118.70 120.31 3a4n s GLU 173 Ca 0.38 0.11 -0.30 0.00 0.02 0.00 0.00 54.97 55.17 3a4n s GLU 173 Cb 0.22 -2.54 -0.05 0.00 0.10 0.00 0.00 34.13 31.86 3a4n s GLU 173 CO 0.30 0.07 1.28 0.42 0.02 0.00 0.00 175.26 177.35 3a4n s ILE 174 N -2.30 3.89 0.61 -1.63 1.01 -1.26 -4.69 121.20 116.82 3a4n s ILE 174 Ca 0.46 1.31 -0.19 0.00 0.00 0.00 0.00 60.65 62.23 3a4n s ILE 174 Cb -0.10 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 3a4n s ILE 174 CO 0.34 0.05 1.27 -2.84 0.00 0.00 0.00 174.94 173.76 3a4n s PRO 175 N 1.68 2.80 -0.08 2.79 0.02 -1.26 -5.01 135.00 135.93 3a4n s PRO 175 Ca 0.60 1.99 0.01 0.00 0.02 0.00 0.00 61.00 63.62 3a4n s PRO 175 Cb -0.30 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.31 3a4n s PRO 175 CO 0.27 -1.39 -0.08 0.21 -0.33 0.00 0.00 177.00 175.69 3a4n s LYS 176 N -3.29 1.36 0.52 5.54 2.20 -1.26 -5.07 119.74 119.74 3a4n s LYS 176 Ca 0.79 -0.24 0.05 0.00 -0.36 0.00 0.00 55.97 56.22 3a4n s LYS 176 Cb -0.35 -1.33 0.05 0.00 -1.51 0.00 0.00 37.83 34.69 3a4n s LYS 176 CO 0.38 -0.15 0.43 1.19 -0.36 0.00 0.00 175.35 176.84 3a4n n PHE 177 N 4.47 -0.81 0.00 4.03 3.01 -1.26 -5.07 117.46 121.83 3a4n n PHE 177 Ca -0.17 -2.18 0.00 0.00 1.01 0.00 0.00 57.45 56.11 3a4n n PHE 177 Cb 0.51 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 3a4n n PHE 177 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3a4n n ASN 189 N -1.90 0.00 -0.19 4.37 5.15 -1.26 -5.12 115.26 116.32 3a4n n ASN 189 Ca -0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3a4n n ASN 189 Cb 0.59 0.00 0.24 0.00 -0.53 0.00 0.00 39.78 40.08 3a4n n ASN 189 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3a4n h ILE 190 N 0.00 1.20 -0.13 -1.44 1.08 -2.01 -2.68 117.51 113.53 3a4n h ILE 190 Ca 0.00 -0.43 -0.12 0.00 -0.39 0.00 0.00 64.86 63.92 3a4n h ILE 190 Cb 0.00 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 33.96 3a4n h ILE 190 CO 0.00 0.21 -0.42 0.77 -0.69 0.00 0.00 178.15 178.01 3a4n h SER 191 N 0.95 0.32 -0.73 1.72 4.64 -2.01 -1.46 113.55 116.99 3a4n h SER 191 Ca 0.25 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 3a4n h SER 191 Cb -0.03 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 3a4n h SER 191 CO -0.05 0.71 0.25 0.44 -0.87 0.00 0.00 176.83 177.32 3a4n h ASP 192 N 0.25 1.05 -0.22 4.97 3.32 -1.92 -0.99 116.42 122.88 3a4n h ASP 192 Ca 0.02 -0.18 -0.18 0.00 0.02 0.00 0.00 57.03 56.70 3a4n h ASP 192 Cb 0.86 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 3a4n h ASP 192 CO 0.07 0.96 -0.56 0.50 -1.72 0.00 0.00 179.24 178.49 3a4n h LYS 193 N 1.09 0.81 -0.35 3.56 3.64 -1.19 0.83 116.57 124.96 3a4n h LYS 193 Ca 0.24 -0.53 -0.12 0.00 -1.27 0.00 0.00 60.65 58.97 3a4n h LYS 193 Cb 0.27 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3a4n h LYS 193 CO -0.01 1.15 -0.28 0.82 -2.27 0.00 0.00 179.45 178.87 3a4n h ILE 194 N 0.62 1.28 -0.06 2.00 2.04 -1.17 0.14 117.51 122.35 3a4n h ILE 194 Ca 0.01 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.46 3a4n h ILE 194 Cb 1.16 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3a4n h ILE 194 CO 0.12 0.46 0.01 -0.78 0.00 0.00 0.00 178.15 177.96 3a4n h ASP 195 N 0.63 0.10 0.14 1.72 1.82 -1.05 -1.33 116.42 118.46 3a4n h ASP 195 Ca 0.08 -0.27 -0.01 0.00 -0.39 0.00 0.00 57.03 56.45 3a4n h ASP 195 Cb 0.79 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.77 3a4n h ASP 195 CO 0.06 0.34 -0.07 0.50 -1.61 0.00 0.00 179.24 178.47 3a4n h LYS 196 N -0.14 -0.18 -0.03 0.28 3.64 -0.78 -2.51 116.57 116.84 3a4n h LYS 196 Ca 0.02 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 3a4n h LYS 196 Cb 0.28 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 3a4n h LYS 196 CO 0.00 -0.04 -0.59 0.93 -2.27 0.00 0.00 179.45 177.48 3a4n h GLU 197 N -0.28 0.10 -0.07 1.90 4.39 -0.76 -1.61 114.58 118.24 3a4n h GLU 197 Ca -0.02 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.44 3a4n h GLU 197 Cb 0.22 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3a4n h GLU 197 CO 0.03 0.66 -0.70 1.79 -1.16 0.00 0.00 179.01 179.63 3a4n h THR 198 N 0.07 1.39 0.08 1.13 1.35 -1.27 0.05 112.91 115.72 3a4n h THR 198 Ca -0.01 -2.13 -0.00 0.00 -0.55 0.00 0.00 66.41 63.72 3a4n h THR 198 Cb 1.05 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 3a4n h THR 198 CO 0.08 0.63 -0.04 -0.09 -0.25 0.00 0.00 175.52 175.86 3a4n h ARG 199 N 0.23 -0.10 -0.37 4.72 2.43 -1.18 -1.54 114.38 118.57 3a4n h ARG 199 Ca -0.02 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3a4n h ARG 199 Cb 1.25 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.79 3a4n h ARG 199 CO 0.11 -0.05 0.19 0.87 -1.51 0.00 0.00 179.97 179.58 3a4n h LYS 200 N -0.11 0.38 0.15 0.20 1.57 -1.06 -1.20 116.57 116.51 3a4n h LYS 200 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3a4n h LYS 200 Cb 0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3a4n h LYS 200 CO 0.02 0.25 -0.13 0.82 -0.57 0.00 0.00 179.45 179.84 3a4n h ILE 201 N 0.39 0.71 -0.84 1.86 2.04 -0.89 -0.48 117.51 120.30 3a4n h ILE 201 Ca 0.15 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.14 3a4n h ILE 201 Cb 0.05 0.71 -0.14 0.00 -0.74 0.00 0.00 36.82 36.70 3a4n h ILE 201 CO -0.10 0.00 -0.39 0.58 0.00 0.00 0.00 178.15 178.24 3a4n h VAL 202 N -0.30 0.06 -0.41 1.67 2.07 -1.11 0.03 116.25 118.26 3a4n h VAL 202 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3a4n h VAL 202 Cb 0.28 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 3a4n h VAL 202 CO -0.02 0.00 0.14 0.28 0.02 0.00 0.00 177.57 177.99 3a4n h SER 203 N -0.07 0.14 -0.03 0.57 0.02 -0.64 -1.29 113.55 112.26 3a4n h SER 203 Ca 0.28 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.30 3a4n h SER 203 Cb 0.57 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3a4n h SER 203 CO -0.87 0.12 -0.09 -0.08 -1.14 0.00 0.00 176.83 174.77 3a4n h GLU 204 N 0.30 -0.14 0.07 3.45 4.57 -0.33 -2.41 114.58 120.10 3a4n h GLU 204 Ca 0.19 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.40 3a4n h GLU 204 Cb 0.18 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 3a4n h GLU 204 CO -0.20 -0.09 -0.22 1.88 -1.18 0.00 0.00 179.01 179.20 3a4n h TYR 205 N -0.14 -0.58 -0.63 0.92 0.05 -0.80 0.53 116.97 116.32 3a4n h TYR 205 Ca 0.04 0.01 0.13 0.00 0.05 0.00 0.00 58.73 58.97 3a4n h TYR 205 Cb 0.20 0.25 -0.11 0.00 1.01 0.00 0.00 36.73 38.08 3a4n h TYR 205 CO -0.17 -0.31 -0.02 0.82 -1.05 0.00 0.00 178.16 177.43 3a4n h ILE 206 N -0.38 0.45 0.19 -2.88 2.04 -1.14 0.66 117.51 116.45 3a4n h ILE 206 Ca 0.04 -0.03 -0.32 0.00 1.00 0.00 0.00 64.86 65.55 3a4n h ILE 206 Cb 0.43 0.35 0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3a4n h ILE 206 CO -0.15 0.02 -1.37 0.11 0.00 0.00 0.00 178.15 176.76 3a4n h LYS 207 N 0.09 0.53 0.16 2.37 1.79 -1.23 0.68 116.57 120.96 3a4n h LYS 207 Ca 0.33 -0.83 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 3a4n h LYS 207 Cb 0.54 0.30 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 3a4n h LYS 207 CO -0.56 1.39 -0.13 1.03 -1.08 0.00 0.00 179.45 180.10 3a4n h SER 208 N 0.18 -0.33 -0.16 0.86 0.87 -0.65 -2.69 113.55 111.63 3a4n h SER 208 Ca -0.22 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 3a4n h SER 208 Cb 2.05 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 64.12 3a4n h SER 208 CO 0.25 -0.20 0.00 0.29 -0.53 0.00 0.00 176.83 176.64 3a4n n LYS 209 N -5.25 2.02 -3.01 2.24 4.76 0.23 -4.89 118.16 114.26 3a4n n LYS 209 Ca -0.08 -0.85 -0.05 0.00 -2.87 0.00 0.00 58.31 54.46 3a4n n LYS 209 Cb 0.17 -1.67 -0.01 0.00 -1.84 0.00 0.00 35.03 31.68 3a4n n LYS 209 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3a4n n LYS 210 N 0.16 -0.98 -1.64 1.97 5.02 -1.01 -4.77 118.16 116.91 3a4n n LYS 210 Ca 0.08 -0.10 -0.38 0.00 -2.02 0.00 0.00 58.31 55.89 3a4n n LYS 210 Cb 0.48 -0.29 0.04 0.00 -0.02 0.00 0.00 35.03 35.24 3a4n n LYS 210 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3a4n n LEU 211 N -1.53 3.97 -4.93 -0.35 4.32 0.20 -5.01 117.00 113.66 3a4n n LEU 211 Ca -0.04 0.88 -0.26 0.00 -0.02 0.00 0.00 56.01 56.57 3a4n n LEU 211 Cb 0.10 -1.43 0.09 0.00 -1.62 0.00 0.00 43.42 40.56 3a4n n LEU 211 CO 0.12 -1.50 0.67 1.51 -1.22 0.00 0.00 177.39 176.97 3a4n s ASP 212 N -1.09 4.52 0.46 -1.43 3.84 -1.26 -4.79 116.67 116.92 3a4n s ASP 212 Ca 0.73 0.40 0.19 0.00 -0.00 0.00 0.00 52.55 53.87 3a4n s ASP 212 Cb -0.44 -0.93 1.13 0.00 -1.38 0.00 0.00 42.92 41.30 3a4n s ASP 212 CO 0.49 -1.81 1.99 0.07 -0.00 0.00 0.00 175.17 175.92 3a4n h LYS 213 N -0.78 0.00 -0.11 2.11 2.10 -1.98 0.31 116.57 118.22 3a4n h LYS 213 Ca -0.44 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.03 3a4n h LYS 213 Cb 1.30 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.64 3a4n h LYS 213 CO 0.56 0.19 -0.64 -0.44 -2.00 0.00 0.00 179.45 177.13 3a4n h ASP 214 N 0.00 0.75 -0.35 7.07 5.19 -2.00 -2.22 116.42 124.86 3a4n h ASP 214 Ca -0.00 -0.65 -0.09 0.00 -0.62 0.00 0.00 57.03 55.66 3a4n h ASP 214 Cb 0.39 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 3a4n h ASP 214 CO 0.03 1.28 -0.11 0.11 -3.12 0.00 0.00 179.24 177.43 3a4n h LYS 215 N 0.27 0.78 -0.05 3.56 1.79 -1.76 -2.37 116.57 118.80 3a4n h LYS 215 Ca -0.05 -0.26 0.04 0.00 -2.18 0.00 0.00 60.65 58.20 3a4n h LYS 215 Cb 1.28 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.81 3a4n h LYS 215 CO 0.13 0.86 -0.31 0.82 -1.08 0.00 0.00 179.45 179.87 3a4n h ILE 216 N 0.71 0.31 -0.46 1.86 2.04 -0.39 -0.09 117.51 121.48 3a4n h ILE 216 Ca 0.12 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 3a4n h ILE 216 Cb 0.59 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3a4n h ILE 216 CO 0.04 0.00 0.21 0.50 0.00 0.00 0.00 178.15 178.90 3a4n h LYS 217 N -0.43 0.40 -0.19 2.37 1.63 -1.26 -1.62 116.57 117.47 3a4n h LYS 217 Ca 0.07 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 3a4n h LYS 217 Cb 0.54 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 3a4n h LYS 217 CO -0.29 0.27 -0.06 0.93 -3.45 0.00 0.00 179.45 176.84 3a4n h GLU 218 N 0.41 -0.02 -0.52 1.90 5.08 -0.93 -0.76 114.58 119.74 3a4n h GLU 218 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3a4n h GLU 218 Cb 0.16 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3a4n h GLU 218 CO -0.17 -0.02 0.34 0.28 -1.00 0.00 0.00 179.01 178.44 3a4n h VAL 219 N -0.02 1.14 -0.96 3.13 2.07 -0.82 0.48 116.25 121.26 3a4n h VAL 219 Ca 0.10 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3a4n h VAL 219 Cb 0.17 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 3a4n h VAL 219 CO -0.21 0.13 0.63 0.58 0.02 0.00 0.00 177.57 178.73 3a4n h VAL 220 N 0.70 1.21 -0.06 2.57 2.07 -1.02 -0.95 116.25 120.77 3a4n h VAL 220 Ca 0.19 -0.43 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 3a4n h VAL 220 Cb -0.07 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.52 3a4n h VAL 220 CO -0.04 0.23 -0.64 -0.33 0.02 0.00 0.00 177.57 176.81 3a4n h GLU 221 N 1.26 0.25 -0.42 1.57 3.07 -0.70 -2.04 114.58 117.58 3a4n h GLU 221 Ca 0.37 -0.18 0.06 0.00 -0.50 0.00 0.00 59.36 59.11 3a4n h GLU 221 Cb -0.08 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 27.81 3a4n h GLU 221 CO -0.10 0.80 0.09 1.25 -1.40 0.00 0.00 179.01 179.66 3a4n h LEU 222 N 0.18 0.03 0.14 1.33 5.85 0.60 0.49 115.31 123.93 3a4n h LEU 222 Ca -0.01 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3a4n h LEU 222 Cb 1.16 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3a4n h LEU 222 CO 0.10 0.05 -0.14 -0.09 -0.34 0.00 0.00 178.44 178.03 3a4n h ARG 223 N 0.23 -0.29 -0.55 1.25 2.43 -1.03 -0.05 114.38 116.37 3a4n h ARG 223 Ca 0.20 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.46 3a4n h ARG 223 Cb 0.24 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.76 3a4n h ARG 223 CO -0.25 -0.20 -0.53 -0.22 -1.51 0.00 0.00 179.97 177.26 3a4n h LYS 224 N -0.30 -0.28 -1.01 0.20 3.64 -1.06 0.21 116.57 117.96 3a4n h LYS 224 Ca 0.00 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3a4n h LYS 224 Cb 0.29 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 3a4n h LYS 224 CO -0.04 -0.19 0.67 0.93 -2.27 0.00 0.00 179.45 178.55 3a4n h GLU 225 N -0.29 1.29 -0.49 1.90 5.08 -0.66 -2.00 114.58 119.41 3a4n h GLU 225 Ca 0.11 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 3a4n h GLU 225 Cb 0.56 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3a4n h GLU 225 CO -0.68 0.86 -0.14 0.35 -1.00 0.00 0.00 179.01 178.41 3a4n h PHE 226 N 1.33 1.08 -0.43 4.33 3.04 -0.04 -2.83 116.94 123.42 3a4n h PHE 226 Ca 0.38 -0.24 -0.06 0.00 3.98 0.00 0.00 57.97 62.03 3a4n h PHE 226 Cb -0.10 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.13 3a4n h PHE 226 CO -0.00 1.04 0.01 -0.07 -2.02 0.00 0.00 178.31 177.27 3a4n h LEU 227 N 0.81 0.66 -0.93 0.59 3.38 -0.10 -2.46 115.31 117.25 3a4n h LEU 227 Ca 0.12 -0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.08 3a4n h LEU 227 Cb 0.70 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 3a4n h LEU 227 CO 0.05 0.72 0.55 0.11 0.09 0.00 0.00 178.44 179.97 3a4n h LYS 228 N 0.65 0.82 -0.13 1.13 1.57 -1.14 -1.50 116.57 117.97 3a4n h LYS 228 Ca 0.13 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.64 3a4n h LYS 228 Cb 0.40 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.53 3a4n h LYS 228 CO 0.01 0.54 -0.80 0.87 -0.57 0.00 0.00 179.45 179.51 3a4n h LYS 229 N 0.84 0.75 -0.37 3.15 1.57 -1.31 -2.97 116.57 118.24 3a4n h LYS 229 Ca 0.48 -0.63 -0.17 0.00 -1.87 0.00 0.00 60.65 58.46 3a4n h LYS 229 Cb 0.54 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 3a4n h LYS 229 CO -0.30 1.24 -0.42 0.82 -0.57 0.00 0.00 179.45 180.22 3a4n h ILE 230 N 0.51 1.27 0.27 1.86 2.04 -0.98 -2.92 117.51 119.55 3a4n h ILE 230 Ca -0.06 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.20 3a4n h ILE 230 Cb 1.43 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 3a4n h ILE 230 CO 0.16 0.53 -0.34 0.11 0.00 0.00 0.00 178.15 178.62 3a4n h LYS 231 N 0.74 -0.60 -2.59 2.37 1.57 -1.37 -3.50 116.57 113.20 3a4n h LYS 231 Ca 0.05 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 3a4n h LYS 231 Cb 1.02 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3a4n h LYS 231 CO 0.10 -0.40 0.15 1.63 -0.57 0.00 0.00 179.45 180.36 3a4n n LYS 232 N -4.41 0.78 0.00 3.15 5.02 -1.11 -5.13 118.16 116.47 3a4n n LYS 232 Ca -0.07 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.83 3a4n n LYS 232 Cb 0.30 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 3a4n n LYS 232 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3a4n n VAL 236 N 2.78 0.00 -3.97 -0.18 0.24 -1.26 -4.97 118.33 110.97 3a4n n VAL 236 Ca 0.17 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.16 3a4n n VAL 236 Cb 0.36 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.58 3a4n n VAL 236 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3a4n s ASP 237 N 0.00 4.16 0.22 -1.34 3.68 -1.26 -5.03 116.67 117.11 3a4n s ASP 237 Ca 0.00 -1.43 -0.18 0.00 2.13 0.00 0.00 52.55 53.07 3a4n s ASP 237 Cb 0.00 -1.32 0.23 0.00 -1.45 0.00 0.00 42.92 40.38 3a4n s ASP 237 CO 0.00 -0.26 1.56 0.00 0.13 0.00 0.00 175.17 176.59 3a4n h ALA 238 N 7.86 0.14 -0.33 3.66 0.00 -1.99 -1.50 119.26 127.10 3a4n h ALA 238 Ca -0.15 0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3a4n h ALA 238 Cb 1.05 0.98 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 3a4n h ALA 238 CO 0.45 -0.63 0.09 -0.44 0.00 0.00 0.00 179.25 178.72 3a4n h ASP 239 N -0.02 0.07 0.39 0.00 3.32 -1.99 -0.62 116.42 117.58 3a4n h ASP 239 Ca 0.33 0.04 -0.18 0.00 0.02 0.00 0.00 57.03 57.25 3a4n h ASP 239 Cb 0.59 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3a4n h ASP 239 CO -0.95 0.08 -0.76 -0.09 -1.72 0.00 0.00 179.24 175.80 3a4n h ARG 240 N 0.22 0.30 -0.77 3.56 1.12 -1.74 -2.16 114.38 114.91 3a4n h ARG 240 Ca 0.15 -0.26 0.15 0.00 -1.11 0.00 0.00 59.98 58.91 3a4n h ARG 240 Cb 0.15 0.06 -0.10 0.00 -0.01 0.00 0.00 29.97 30.07 3a4n h ARG 240 CO -0.18 0.92 0.30 0.28 -3.11 0.00 0.00 179.97 178.19 3a4n h VAL 241 N 0.20 0.63 -0.13 0.20 2.07 -0.74 0.11 116.25 118.57 3a4n h VAL 241 Ca -0.03 -0.15 -0.16 0.00 0.82 0.00 0.00 66.70 67.18 3a4n h VAL 241 Cb 1.34 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3a4n h VAL 241 CO 0.12 0.08 -0.58 -0.07 0.02 0.00 0.00 177.57 177.14 3a4n h LEU 242 N 0.43 0.48 -0.33 2.57 3.38 -0.54 -1.55 115.31 119.76 3a4n h LEU 242 Ca 0.43 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3a4n h LEU 242 Cb 0.68 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3a4n h LEU 242 CO -0.42 0.96 -0.07 0.50 0.09 0.00 0.00 178.44 179.50 3a4n h LYS 243 N 0.33 0.63 -0.78 1.13 3.64 -1.03 -2.17 116.57 118.31 3a4n h LYS 243 Ca -0.00 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.17 3a4n h LYS 243 Cb 1.11 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 3a4n h LYS 243 CO 0.10 0.80 0.50 1.49 -2.27 0.00 0.00 179.45 180.07 3a4n h GLU 244 N 0.41 0.96 -0.83 1.90 4.81 -0.91 -1.95 114.58 118.97 3a4n h GLU 244 Ca 0.09 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3a4n h GLU 244 Cb 0.56 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 3a4n h GLU 244 CO 0.03 0.63 0.54 0.35 -0.73 0.00 0.00 179.01 179.84 3a4n h PHE 245 N 0.99 1.02 -0.23 0.92 3.57 -0.98 0.49 116.94 122.71 3a4n h PHE 245 Ca 0.31 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 3a4n h PHE 245 Cb -0.01 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 3a4n h PHE 245 CO -0.03 0.61 0.10 0.87 -2.23 0.00 0.00 178.31 177.62 3a4n h LYS 246 N 1.07 0.34 -0.46 1.11 1.57 -0.91 -1.15 116.57 118.15 3a4n h LYS 246 Ca 0.32 -0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.14 3a4n h LYS 246 Cb -0.04 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.12 3a4n h LYS 246 CO -0.10 0.38 -0.16 -0.44 -0.57 0.00 0.00 179.45 178.57 3a4n h ASP 247 N 0.23 -0.56 -0.11 0.86 3.32 -0.97 0.44 116.42 119.62 3a4n h ASP 247 Ca 0.08 0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.32 3a4n h ASP 247 Cb 0.16 0.34 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 3a4n h ASP 247 CO -0.01 -0.19 -0.21 0.25 -1.72 0.00 0.00 179.24 177.35 3a4n h LEU 248 N -0.05 -0.66 -0.27 1.55 5.85 -0.64 0.31 115.31 121.40 3a4n h LEU 248 Ca 0.22 0.11 0.06 0.00 0.84 0.00 0.00 57.88 59.11 3a4n h LEU 248 Cb 0.39 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 3a4n h LEU 248 CO -0.50 -0.27 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.08 3a4n h LEU 249 N -0.28 -0.60 -0.14 2.25 3.38 -0.49 -0.53 115.31 118.91 3a4n h LEU 249 Ca 0.09 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.23 3a4n h LEU 249 Cb 0.42 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 3a4n h LEU 249 CO -0.27 -0.22 -0.33 0.78 0.09 0.00 0.00 178.44 178.49 3a4n h ASN 250 N -0.16 -1.03 -0.65 -0.43 -0.26 -0.40 -2.19 115.58 110.45 3a4n h ASN 250 Ca 0.15 0.15 0.15 0.00 -0.56 0.00 0.00 56.30 56.19 3a4n h ASN 250 Cb 0.39 0.44 -0.04 0.00 -1.06 0.00 0.00 38.32 38.05 3a4n h ASN 250 CO -0.37 -0.37 0.45 0.28 -1.06 0.00 0.00 177.43 176.37 3a4n h SER 251 N -0.40 0.20 -0.01 5.81 0.02 0.22 -3.51 113.55 115.88 3a4n h SER 251 Ca 0.10 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3a4n h SER 251 Cb 0.55 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3a4n h SER 251 CO -0.36 0.11 0.00 0.00 -1.14 0.00 0.00 176.83 175.43