#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tss s THR 2 N 0.00 1.98 0.72 2.46 -4.23 -1.26 -4.17 115.64 111.14 2tss s THR 2 Ca 0.00 -2.16 -0.09 0.00 -1.18 0.00 0.00 61.69 58.27 2tss s THR 2 Cb 0.00 -2.61 0.05 0.00 1.34 0.00 0.00 72.50 71.29 2tss s THR 2 CO 0.00 -0.22 1.06 0.54 -0.54 0.00 0.00 174.62 175.46 2tss s ASN 3 N -3.55 4.89 0.44 3.99 2.20 -1.26 -4.95 114.94 116.70 2tss s ASN 3 Ca 0.32 0.66 0.11 0.00 -0.94 0.00 0.00 52.86 53.00 2tss s ASN 3 Cb 0.04 -1.32 0.97 0.00 -2.00 0.00 0.00 41.25 38.94 2tss s ASN 3 CO 0.15 -1.59 2.04 0.44 -2.94 0.00 0.00 177.10 175.19 2tss h ASP 4 N -0.68 0.21 -0.46 3.54 5.19 -2.01 -2.29 116.42 119.92 2tss h ASP 4 Ca -0.45 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 55.88 2tss h ASP 4 Cb 1.31 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.74 2tss h ASP 4 CO 0.62 0.24 0.09 -1.13 -3.12 0.00 0.00 179.24 175.94 2tss h ASN 5 N 0.24 0.77 -0.36 6.45 -1.24 -1.99 -1.65 115.58 117.81 2tss h ASN 5 Ca 0.06 -0.15 -0.13 0.00 0.71 0.00 0.00 56.30 56.79 2tss h ASN 5 Cb 0.13 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 2tss h ASN 5 CO -0.00 0.78 -0.24 0.40 -1.29 0.00 0.00 177.43 177.08 2tss h ILE 6 N 0.78 1.27 -0.57 2.57 1.08 -1.78 -1.86 117.51 119.00 2tss h ILE 6 Ca 0.17 -1.38 -0.07 0.00 -0.39 0.00 0.00 64.86 63.18 2tss h ILE 6 Cb 0.34 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.27 2tss h ILE 6 CO 0.01 0.47 0.06 0.11 -0.69 0.00 0.00 178.15 178.10 2tss h LYS 7 N 0.75 0.95 -0.60 2.37 1.57 -1.21 0.08 116.57 120.47 2tss h LYS 7 Ca 0.10 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2tss h LYS 7 Cb 0.79 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 2tss h LYS 7 CO 0.07 0.90 0.25 -0.44 -0.57 0.00 0.00 179.45 179.65 2tss h ASP 8 N 0.89 0.82 -0.61 0.86 3.32 -1.09 -1.88 116.42 118.73 2tss h ASP 8 Ca 0.18 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 2tss h ASP 8 Cb 0.44 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2tss h ASP 8 CO 0.01 0.76 0.08 -0.07 -1.72 0.00 0.00 179.24 178.31 2tss h LEU 9 N 0.83 0.98 -0.34 1.55 3.38 -0.85 -1.38 115.31 119.48 2tss h LEU 9 Ca 0.20 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2tss h LEU 9 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2tss h LEU 9 CO -0.02 1.00 0.19 0.25 0.09 0.00 0.00 178.44 179.96 2tss h LEU 10 N 0.92 0.41 -0.73 1.67 5.85 -0.78 -0.27 115.31 122.38 2tss h LEU 10 Ca 0.18 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2tss h LEU 10 Cb 0.45 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2tss h LEU 10 CO 0.01 0.36 0.43 0.44 -0.34 0.00 0.00 178.44 179.35 2tss h ASP 11 N 0.43 0.88 0.09 1.25 3.32 -1.20 0.37 116.42 121.55 2tss h ASP 11 Ca 0.12 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2tss h ASP 11 Cb 0.03 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.36 2tss h ASP 11 CO -0.02 0.69 -0.04 -0.25 -1.72 0.00 0.00 179.24 177.90 2tss h TRP 12 N 1.00 -0.11 0.00 4.55 2.91 -1.06 -3.21 115.95 120.03 2tss h TRP 12 Ca 0.26 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.28 2tss h TRP 12 Cb -0.02 0.04 0.00 0.00 -0.51 0.00 0.00 29.16 28.66 2tss h TRP 12 CO -0.01 0.27 -0.04 1.88 -1.03 0.00 0.00 178.44 179.52 2tss h TYR 13 N -0.51 0.00 0.00 2.65 0.05 -0.97 -3.21 116.97 114.97 2tss h TYR 13 Ca -0.01 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 2tss h TYR 13 Cb 0.43 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 2tss h TYR 13 CO 0.05 0.00 -0.62 0.66 -1.05 0.00 0.00 178.16 177.20 2tss h SER 14 N 0.00 0.00 -3.62 3.88 4.64 -1.03 -3.39 113.55 114.03 2tss h SER 14 Ca 0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 2tss h SER 14 Cb 0.82 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 63.09 2tss h SER 14 CO 0.00 0.19 0.16 -0.94 -0.87 0.00 0.00 176.83 175.37 2tss s SER 15 N -5.94 1.44 0.20 4.97 1.04 -1.21 -5.05 113.70 109.14 2tss s SER 15 Ca 0.03 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.22 2tss s SER 15 Cb 0.07 -1.12 0.00 0.00 0.10 0.00 0.00 66.02 65.07 2tss s SER 15 CO 0.74 -3.82 0.00 0.61 0.98 0.00 0.00 173.24 171.75 2tss n GLY 16 N -1.08 0.68 3.28 7.32 0.00 -1.26 -5.06 105.19 109.07 2tss n GLY 16 Ca 0.11 -1.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 2tss n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2tss s SER 17 N -1.00 1.94 -0.12 1.61 1.04 -1.26 -4.86 113.70 111.04 2tss s SER 17 Ca 0.00 -1.05 -0.09 0.00 0.48 0.00 0.00 55.95 55.29 2tss s SER 17 Cb 0.00 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 2tss s SER 17 CO 0.00 -0.33 0.18 -1.81 0.98 0.00 0.00 173.24 172.26 2tss s ASP 18 N -3.22 6.41 -0.06 7.02 1.01 0.39 -4.97 116.67 123.26 2tss s ASP 18 Ca 0.20 0.49 0.01 0.00 0.71 0.00 0.00 52.55 53.96 2tss s ASP 18 Cb 0.03 -2.10 0.02 0.00 1.01 0.00 0.00 42.92 41.87 2tss s ASP 18 CO 0.03 0.34 -0.07 -0.89 0.21 0.00 0.00 175.17 174.79 2tss s THR 19 N -0.72 0.78 -0.01 -1.27 2.01 -1.26 -1.54 115.64 113.63 2tss s THR 19 Ca 0.15 -0.25 -0.01 0.00 0.31 0.00 0.00 61.69 61.89 2tss s THR 19 Cb -0.12 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.62 2tss s THR 19 CO 0.04 0.28 0.03 -0.36 -0.69 0.00 0.00 174.62 173.93 2tss s PHE 20 N 0.96 -0.03 0.03 4.92 0.40 -0.60 -5.01 117.98 118.65 2tss s PHE 20 Ca -0.10 0.09 0.08 0.00 -0.60 0.00 0.00 56.93 56.40 2tss s PHE 20 Cb -0.15 -0.02 -0.03 0.00 0.51 0.00 0.00 43.02 43.34 2tss s PHE 20 CO 0.00 -0.02 -0.24 0.95 0.70 0.00 0.00 175.22 176.60 2tss s THR 21 N 0.14 1.96 -1.24 0.64 -4.23 -1.26 -0.39 115.64 111.26 2tss s THR 21 Ca -0.01 -1.27 -0.08 0.00 -1.18 0.00 0.00 61.69 59.15 2tss s THR 21 Cb -0.02 -1.68 0.01 0.00 1.34 0.00 0.00 72.50 72.15 2tss s THR 21 CO -0.00 0.35 1.05 -3.20 -0.54 0.00 0.00 174.62 172.28 2tss n ASN 22 N 1.92 -5.98 -4.83 3.99 5.15 -1.01 -4.68 115.26 109.83 2tss n ASN 22 Ca -0.17 -0.48 -0.29 0.00 -0.60 0.00 0.00 54.58 53.04 2tss n ASN 22 Cb 0.52 -4.60 0.10 0.00 -0.53 0.00 0.00 39.78 35.27 2tss n ASN 22 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2tss s SER 23 N -3.27 4.36 -0.05 1.20 0.01 0.19 -4.68 113.70 111.46 2tss s SER 23 Ca 0.52 1.10 0.07 0.00 1.31 0.00 0.00 55.95 58.95 2tss s SER 23 Cb -0.23 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 2tss s SER 23 CO 0.65 -2.03 -0.25 -0.70 0.41 0.00 0.00 173.24 171.32 2tss s GLU 24 N -5.28 2.46 -0.02 12.44 2.12 0.38 -0.61 118.70 130.19 2tss s GLU 24 Ca 0.61 -0.91 -0.30 0.00 0.36 0.00 0.00 54.97 54.73 2tss s GLU 24 Cb -0.13 -2.14 -0.04 0.00 0.26 0.00 0.00 34.13 32.08 2tss s GLU 24 CO 0.53 0.42 1.16 0.08 -0.54 0.00 0.00 175.26 176.91 2tss s VAL 25 N -0.26 4.30 -0.21 3.70 1.01 -0.44 0.16 120.40 128.66 2tss s VAL 25 Ca -0.01 1.63 0.07 0.00 0.00 0.00 0.00 61.98 63.68 2tss s VAL 25 Cb -0.13 -4.05 -0.18 0.00 0.00 0.00 0.00 36.38 32.02 2tss s VAL 25 CO 0.03 0.05 -0.10 0.18 0.00 0.00 0.00 175.10 175.26 2tss n LEU 26 N 4.67 1.81 -3.67 3.92 4.77 -0.13 -0.13 117.00 128.24 2tss n LEU 26 Ca 0.10 -0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.85 2tss n LEU 26 Cb 0.47 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 2tss n LEU 26 CO 0.55 0.72 0.19 -0.62 -1.33 0.00 0.00 177.39 176.90 2tss s ASP 27 N -5.85 -0.43 -0.24 -1.43 2.15 -0.99 -4.82 116.67 105.07 2tss s ASP 27 Ca -0.23 0.54 -0.03 0.00 0.43 0.00 0.00 52.55 53.26 2tss s ASP 27 Cb 0.07 0.58 0.08 0.00 -0.30 0.00 0.00 42.92 43.35 2tss s ASP 27 CO 0.62 -0.42 0.09 0.21 -0.17 0.00 0.00 175.17 175.50 2tss s ASN 28 N -0.83 3.17 0.52 -0.34 3.84 -1.26 -1.18 114.94 118.86 2tss s ASN 28 Ca -0.09 -1.06 0.04 0.00 0.21 0.00 0.00 52.86 51.96 2tss s ASN 28 Cb -0.03 -0.49 0.01 0.00 -0.55 0.00 0.00 41.25 40.19 2tss s ASN 28 CO 0.05 -0.38 0.22 -0.44 -2.79 0.00 0.00 177.10 173.76 2tss s SER 29 N 1.95 4.40 0.06 -4.21 0.01 -0.90 -5.02 113.70 109.99 2tss s SER 29 Ca 0.05 -1.42 -0.31 0.00 1.31 0.00 0.00 55.95 55.58 2tss s SER 29 Cb -0.17 0.43 -0.08 0.00 0.21 0.00 0.00 66.02 66.41 2tss s SER 29 CO -0.20 -0.97 1.71 -0.22 0.41 0.00 0.00 173.24 173.97 2tss s LEU 30 N -4.09 4.37 0.00 2.44 2.96 -1.26 -2.39 118.68 120.71 2tss s LEU 30 Ca 0.22 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 56.64 2tss s LEU 30 Cb -0.00 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.13 2tss s LEU 30 CO 0.13 -0.93 0.00 0.61 -1.32 0.00 0.00 176.35 174.85 2tss n GLY 31 N 4.10 0.56 3.81 7.98 0.00 -1.26 -4.97 105.19 115.41 2tss n GLY 31 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 2tss n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2tss s SER 32 N -2.31 -0.16 -0.05 1.61 1.04 -1.01 -0.62 113.70 112.19 2tss s SER 32 Ca 0.00 -0.60 -0.15 0.00 0.48 0.00 0.00 55.95 55.68 2tss s SER 32 Cb 0.00 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.77 2tss s SER 32 CO 0.00 -1.17 0.34 -0.04 0.98 0.00 0.00 173.24 173.35 2tss s MET 33 N -3.26 0.61 -0.19 4.02 -1.94 -0.52 -2.12 119.30 115.89 2tss s MET 33 Ca 0.13 0.04 -0.03 0.00 -1.71 0.00 0.00 55.69 54.13 2tss s MET 33 Cb -0.04 0.28 -0.01 0.00 2.01 0.00 0.00 34.83 37.07 2tss s MET 33 CO 0.05 -0.15 -0.08 0.50 -0.01 0.00 0.00 175.02 175.34 2tss s ARG 34 N -0.85 3.36 0.04 2.03 3.52 -0.32 -1.35 118.95 125.38 2tss s ARG 34 Ca -0.09 -0.65 0.06 0.00 -0.13 0.00 0.00 55.73 54.92 2tss s ARG 34 Cb -0.04 -2.87 -0.02 0.00 -1.56 0.00 0.00 34.95 30.45 2tss s ARG 34 CO 0.03 -0.08 -0.17 0.42 -0.81 0.00 0.00 175.30 174.70 2tss s ILE 35 N 1.13 1.37 -0.23 4.11 1.01 0.08 -0.95 121.20 127.71 2tss s ILE 35 Ca 0.01 -1.08 -0.05 0.00 0.00 0.00 0.00 60.65 59.53 2tss s ILE 35 Cb -0.14 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 2tss s ILE 35 CO -0.02 0.10 -0.00 -0.75 0.00 0.00 0.00 174.94 174.28 2tss s LYS 36 N -1.14 3.49 0.45 2.79 2.20 0.12 -0.18 119.74 127.47 2tss s LYS 36 Ca 0.04 -0.57 -0.08 0.00 -0.36 0.00 0.00 55.97 55.01 2tss s LYS 36 Cb -0.08 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 33.07 2tss s LYS 36 CO 0.01 -0.18 0.79 -0.80 -0.36 0.00 0.00 175.35 174.81 2tss s ASN 37 N 1.50 6.39 0.60 1.43 0.01 0.02 -0.47 114.94 124.42 2tss s ASN 37 Ca 0.06 1.06 0.33 0.00 -0.71 0.00 0.00 52.86 53.59 2tss s ASN 37 Cb -0.15 -2.30 1.93 0.00 0.41 0.00 0.00 41.25 41.15 2tss s ASN 37 CO -0.01 -0.50 2.27 0.71 -1.51 0.00 0.00 177.10 178.06 2tss h THR 38 N 0.63 0.41 -0.01 1.60 1.35 -1.83 0.54 112.91 115.59 2tss h THR 38 Ca -0.47 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2tss h THR 38 Cb 1.20 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2tss h THR 38 CO 0.63 0.01 0.00 -0.90 -0.25 0.00 0.00 175.52 175.01 2tss n ASP 39 N -3.66 0.45 0.00 5.36 5.68 -1.26 -4.90 116.55 118.22 2tss n ASP 39 Ca -0.03 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 53.05 2tss n ASP 39 Cb 0.09 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2tss n ASP 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2tss n GLY 40 N 1.02 1.19 3.80 6.12 0.00 0.18 -5.08 105.19 112.42 2tss n GLY 40 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2tss n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2tss s SER 41 N -1.97 4.72 -0.05 1.61 1.04 -1.26 -4.72 113.70 113.06 2tss s SER 41 Ca 0.00 1.51 0.02 0.00 0.48 0.00 0.00 55.95 57.96 2tss s SER 41 Cb 0.00 -2.29 -0.03 0.00 0.10 0.00 0.00 66.02 63.80 2tss s SER 41 CO 0.00 -1.85 -0.10 -0.63 0.98 0.00 0.00 173.24 171.64 2tss s ILE 42 N -3.06 3.45 -0.16 -1.02 -1.09 0.18 -0.80 121.20 118.70 2tss s ILE 42 Ca 0.60 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 2tss s ILE 42 Cb -0.15 -2.40 -0.00 0.00 -1.58 0.00 0.00 42.46 38.33 2tss s ILE 42 CO 0.55 0.57 -0.15 -0.44 -1.23 0.00 0.00 174.94 174.24 2tss s SER 43 N -0.85 3.68 -0.38 3.58 0.01 0.74 -0.21 113.70 120.27 2tss s SER 43 Ca 0.13 -0.47 -0.12 0.00 1.31 0.00 0.00 55.95 56.79 2tss s SER 43 Cb -0.11 -1.57 0.02 0.00 0.21 0.00 0.00 66.02 64.57 2tss s SER 43 CO 0.02 0.08 0.23 -0.76 0.41 0.00 0.00 173.24 173.21 2tss s LEU 44 N 0.86 4.77 -0.10 2.44 1.43 0.24 -0.75 118.68 127.58 2tss s LEU 44 Ca -0.04 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.17 2tss s LEU 44 Cb -0.15 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 2tss s LEU 44 CO -0.01 -0.38 -0.14 -0.63 0.23 0.00 0.00 176.35 175.42 2tss s ILE 45 N 1.60 3.01 0.03 -0.59 1.01 -0.46 -1.56 121.20 124.25 2tss s ILE 45 Ca 0.03 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 2tss s ILE 45 Cb -0.19 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2tss s ILE 45 CO 0.08 0.55 0.21 0.27 0.00 0.00 0.00 174.94 176.04 2tss s ILE 46 N -0.06 5.40 -0.38 2.92 -0.00 -0.81 -1.44 121.20 126.82 2tss s ILE 46 Ca -0.03 -0.24 0.01 0.00 -0.00 0.00 0.00 60.65 60.39 2tss s ILE 46 Cb -0.14 -3.59 0.12 0.00 -0.00 0.00 0.00 42.46 38.86 2tss s ILE 46 CO 0.04 0.23 0.19 -0.36 -0.00 0.00 0.00 174.94 175.03 2tss s PHE 47 N -1.42 1.59 -1.10 1.37 0.08 0.21 -1.42 117.98 117.29 2tss s PHE 47 Ca 0.31 -2.00 0.16 0.00 0.12 0.00 0.00 56.93 55.52 2tss s PHE 47 Cb -0.13 -1.61 0.72 0.00 -0.57 0.00 0.00 43.02 41.44 2tss s PHE 47 CO 0.23 -0.82 1.51 -2.30 -0.10 0.00 0.00 175.22 173.74 2tss n PRO 48 N 4.10 0.05 -3.83 0.24 -0.02 -1.26 -4.30 135.00 129.99 2tss n PRO 48 Ca 0.05 0.20 -0.35 0.00 -2.02 0.00 0.00 63.50 61.39 2tss n PRO 48 Cb 0.37 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.27 2tss n PRO 48 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2tss s SER 49 N -2.90 6.04 0.48 2.55 0.15 -1.25 -4.57 113.70 114.19 2tss s SER 49 Ca 0.10 0.20 0.27 0.00 0.70 0.00 0.00 55.95 57.22 2tss s SER 49 Cb 0.11 -2.05 1.04 0.00 -1.71 0.00 0.00 66.02 63.41 2tss s SER 49 CO 0.29 0.19 1.87 1.55 1.20 0.00 0.00 173.24 178.33 2tss h PRO 50 N 6.58 0.00 0.00 5.44 0.13 -1.88 -2.90 132.00 139.37 2tss h PRO 50 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2tss h PRO 50 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2tss h PRO 50 CO 0.73 0.13 -0.14 1.88 -0.23 0.00 0.00 178.00 180.38 2tss h TYR 51 N 0.00 0.00 -2.44 1.56 0.05 -1.90 -3.38 116.97 110.86 2tss h TYR 51 Ca -0.00 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.19 2tss h TYR 51 Cb 0.68 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 38.03 2tss h TYR 51 CO 0.00 0.00 -0.89 0.98 -1.05 0.00 0.00 178.16 177.20 2tss n TYR 52 N -2.60 0.27 -3.71 4.88 9.36 -1.10 -3.81 117.16 120.46 2tss n TYR 52 Ca 0.04 -3.60 -0.37 0.00 3.32 0.00 0.00 57.90 57.29 2tss n TYR 52 Cb 0.48 -0.06 -0.10 0.00 -0.63 0.00 0.00 39.34 39.02 2tss n TYR 52 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2tss s SER 53 N -0.60 5.39 0.19 2.98 0.15 -1.24 -4.51 113.70 116.05 2tss s SER 53 Ca 0.32 -2.08 -0.33 0.00 0.70 0.00 0.00 55.95 54.56 2tss s SER 53 Cb 0.05 -1.88 -0.14 0.00 -1.71 0.00 0.00 66.02 62.34 2tss s SER 53 CO -0.17 -0.57 1.49 -2.65 1.20 0.00 0.00 173.24 172.54 2tss n PRO 54 N 4.57 2.03 -0.36 5.44 -0.02 -1.26 -4.91 135.00 140.50 2tss n PRO 54 Ca -0.03 0.73 0.07 0.00 -2.02 0.00 0.00 63.50 62.26 2tss n PRO 54 Cb 0.41 -2.44 0.23 0.00 -0.02 0.00 0.00 33.50 31.67 2tss n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2tss n ALA 55 N 2.75 2.71 -1.75 3.55 0.00 -1.26 -5.00 120.51 121.50 2tss n ALA 55 Ca 0.15 -1.84 -0.38 0.00 0.00 0.00 0.00 53.44 51.37 2tss n ALA 55 Cb 0.29 -0.63 0.03 0.00 0.00 0.00 0.00 19.45 19.15 2tss n ALA 55 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2tss s PHE 56 N -2.10 2.35 0.39 0.00 0.08 -1.26 -5.01 117.98 112.42 2tss s PHE 56 Ca 0.35 1.37 0.08 0.00 0.12 0.00 0.00 56.93 58.86 2tss s PHE 56 Cb 0.26 -3.78 -0.02 0.00 -0.57 0.00 0.00 43.02 38.91 2tss s PHE 56 CO 0.12 -2.80 0.39 0.95 -0.10 0.00 0.00 175.22 173.78 2tss s THR 57 N -1.31 3.00 0.12 0.64 -4.23 -1.26 -4.79 115.64 107.81 2tss s THR 57 Ca 0.70 -1.29 -0.35 0.00 -1.18 0.00 0.00 61.69 59.57 2tss s THR 57 Cb -0.40 -3.07 -0.16 0.00 1.34 0.00 0.00 72.50 70.21 2tss s THR 57 CO 0.48 -0.05 1.26 1.17 -0.54 0.00 0.00 174.62 176.93 2tss n LYS 58 N -1.55 1.10 0.00 3.99 4.81 -1.26 -2.05 118.16 123.21 2tss n LYS 58 Ca 0.03 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 2tss n LYS 58 Cb 0.61 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.68 2tss n LYS 58 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2tss n GLY 59 N 2.30 2.66 3.79 3.14 0.00 0.82 -4.96 105.19 112.94 2tss n GLY 59 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2tss n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2tss s GLU 60 N -0.58 3.30 -0.07 1.61 2.02 -0.87 -4.69 118.70 119.41 2tss s GLU 60 Ca 0.00 1.31 -0.15 0.00 0.02 0.00 0.00 54.97 56.16 2tss s GLU 60 Cb 0.00 -2.02 -0.05 0.00 0.10 0.00 0.00 34.13 32.16 2tss s GLU 60 CO 0.00 -0.84 0.37 0.15 0.02 0.00 0.00 175.26 174.96 2tss s LYS 61 N -3.85 4.05 0.12 1.61 -0.14 -1.26 -1.33 119.74 118.94 2tss s LYS 61 Ca 0.66 0.30 0.01 0.00 -1.36 0.00 0.00 55.97 55.57 2tss s LYS 61 Cb -0.18 -3.31 -0.04 0.00 -1.68 0.00 0.00 37.83 32.62 2tss s LYS 61 CO 0.34 0.48 -0.02 0.14 -0.76 0.00 0.00 175.35 175.53 2tss s VAL 62 N -0.35 0.49 0.02 3.17 -7.23 0.22 -4.48 120.40 112.25 2tss s VAL 62 Ca 0.22 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.50 2tss s VAL 62 Cb -0.15 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 2tss s VAL 62 CO 0.10 -0.70 -0.06 -1.81 -0.31 0.00 0.00 175.10 172.32 2tss s ASP 63 N -3.06 4.69 -0.13 4.85 1.01 -0.05 -0.64 116.67 123.34 2tss s ASP 63 Ca 0.17 -0.16 0.03 0.00 0.71 0.00 0.00 52.55 53.30 2tss s ASP 63 Cb 0.06 -1.09 0.00 0.00 1.01 0.00 0.00 42.92 42.91 2tss s ASP 63 CO -0.02 0.26 -0.21 -0.76 0.21 0.00 0.00 175.17 174.65 2tss s LEU 64 N -1.60 2.19 -0.39 1.23 1.02 0.47 -2.01 118.68 119.59 2tss s LEU 64 Ca 0.19 -0.55 0.02 0.00 0.02 0.00 0.00 54.13 53.81 2tss s LEU 64 Cb -0.11 -1.46 0.16 0.00 0.02 0.00 0.00 46.19 44.80 2tss s LEU 64 CO 0.09 0.11 0.30 0.20 0.02 0.00 0.00 176.35 177.08 2tss s ASN 65 N 0.62 1.95 0.39 2.29 -0.87 -0.54 -1.56 114.94 117.21 2tss s ASN 65 Ca -0.11 -2.68 0.05 0.00 -1.57 0.00 0.00 52.86 48.55 2tss s ASN 65 Cb -0.16 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.25 40.68 2tss s ASN 65 CO 0.03 -0.22 0.19 0.28 -2.57 0.00 0.00 177.10 174.81 2tss s THR 66 N 0.49 0.33 0.01 1.60 -1.32 -0.59 -4.40 115.64 111.76 2tss s THR 66 Ca 0.27 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.83 2tss s THR 66 Cb -0.07 -2.37 -0.02 0.00 -1.51 0.00 0.00 72.50 68.53 2tss s THR 66 CO -0.11 0.00 -0.25 -0.54 -2.21 0.00 0.00 174.62 171.50 2tss s LYS 67 N -3.59 1.91 0.19 7.08 -0.14 -1.26 -0.46 119.74 123.48 2tss s LYS 67 Ca 0.29 -0.98 -0.23 0.00 -1.36 0.00 0.00 55.97 53.69 2tss s LYS 67 Cb 0.02 -1.94 -0.08 0.00 -1.68 0.00 0.00 37.83 34.14 2tss s LYS 67 CO 0.20 0.52 0.76 -0.98 -0.76 0.00 0.00 175.35 175.09 2tss s ARG 68 N -0.87 4.45 0.01 1.68 1.70 -1.26 -1.62 118.95 123.04 2tss s ARG 68 Ca 0.10 1.06 0.22 0.00 -0.47 0.00 0.00 55.73 56.64 2tss s ARG 68 Cb -0.10 -3.10 -0.16 0.00 -0.57 0.00 0.00 34.95 31.02 2tss s ARG 68 CO 0.00 0.50 0.84 0.25 -1.08 0.00 0.00 175.30 175.81 2tss n THR 69 N 1.24 0.04 -3.77 4.99 -2.24 0.36 -4.93 114.28 109.98 2tss n THR 69 Ca -0.04 -0.19 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 2tss n THR 69 Cb 0.50 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 2tss n THR 69 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2tss s LYS 70 N -3.19 1.35 0.31 -0.78 -2.85 -1.26 -5.09 119.74 108.25 2tss s LYS 70 Ca 0.03 -0.74 -0.30 0.00 -1.00 0.00 0.00 55.97 53.97 2tss s LYS 70 Cb 0.15 0.47 -0.11 0.00 -2.06 0.00 0.00 37.83 36.28 2tss s LYS 70 CO 0.86 -0.62 1.58 0.21 0.10 0.00 0.00 175.35 177.48 2tss s LYS 71 N -3.47 4.11 0.91 1.78 2.20 -1.26 -4.53 119.74 119.47 2tss s LYS 71 Ca 0.11 2.60 -0.10 0.00 -0.36 0.00 0.00 55.97 58.22 2tss s LYS 71 Cb -0.03 -3.00 0.14 0.00 -1.51 0.00 0.00 37.83 33.43 2tss s LYS 71 CO 0.03 -0.63 1.13 -1.12 -0.36 0.00 0.00 175.35 174.40 2tss s SER 72 N 0.36 3.02 0.05 1.43 0.01 -1.26 -4.83 113.70 112.49 2tss s SER 72 Ca 0.61 2.07 0.05 0.00 1.31 0.00 0.00 55.95 59.99 2tss s SER 72 Cb -0.48 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.20 2tss s SER 72 CO 0.52 -3.02 -0.14 -1.10 0.41 0.00 0.00 173.24 169.91 2tss s GLN 73 N -4.68 0.87 -0.26 12.44 -0.21 -0.56 -4.98 119.66 122.27 2tss s GLN 73 Ca 0.66 -0.82 -0.10 0.00 0.02 0.00 0.00 55.36 55.12 2tss s GLN 73 Cb -0.22 -0.87 -0.04 0.00 1.00 0.00 0.00 33.01 32.88 2tss s GLN 73 CO 0.58 0.21 0.15 -1.01 -2.12 0.00 0.00 175.29 173.09 2tss s HIS 74 N -1.01 3.19 0.54 0.91 3.76 -1.26 -0.72 115.29 120.70 2tss s HIS 74 Ca -0.00 -0.02 -0.05 0.00 -0.15 0.00 0.00 55.06 54.84 2tss s HIS 74 Cb -0.09 -2.32 -0.00 0.00 1.11 0.00 0.00 32.58 31.28 2tss s HIS 74 CO 0.02 -0.18 0.83 0.95 -0.85 0.00 0.00 174.74 175.51 2tss s THR 75 N 1.58 4.02 0.39 1.30 -4.23 0.35 -4.95 115.64 114.09 2tss s THR 75 Ca 0.07 -0.04 0.13 0.00 -1.18 0.00 0.00 61.69 60.66 2tss s THR 75 Cb -0.15 -3.56 0.12 0.00 1.34 0.00 0.00 72.50 70.25 2tss s THR 75 CO 0.08 -0.53 1.87 0.77 -0.54 0.00 0.00 174.62 176.26 2tss h SER 76 N 0.03 0.03 0.00 3.99 4.64 -1.99 -0.79 113.55 119.45 2tss h SER 76 Ca -0.46 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2tss h SER 76 Cb 1.24 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2tss h SER 76 CO 0.60 0.34 0.00 -1.84 -0.87 0.00 0.00 176.83 175.06 2tss n GLU 77 N -4.16 0.71 -1.09 4.77 0.00 -1.26 -4.83 120.64 114.78 2tss n GLU 77 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.11 2tss n GLU 77 Cb 0.36 -1.07 -0.01 0.00 0.00 0.00 0.00 31.44 30.72 2tss n GLU 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2tss n GLY 78 N 0.23 0.61 3.88 -1.84 0.00 -0.30 -5.04 105.19 102.74 2tss n GLY 78 Ca 0.02 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 2tss n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2tss s THR 79 N -2.05 4.96 -0.25 2.61 -4.23 -1.25 -4.86 115.64 110.56 2tss s THR 79 Ca 0.00 -0.87 -0.05 0.00 -1.18 0.00 0.00 61.69 59.59 2tss s THR 79 Cb 0.00 -3.55 -0.00 0.00 1.34 0.00 0.00 72.50 70.29 2tss s THR 79 CO 0.00 -0.11 0.02 -0.47 -0.54 0.00 0.00 174.62 173.52 2tss s TYR 80 N -1.76 3.06 -0.14 3.99 5.04 -1.26 -0.50 117.35 125.79 2tss s TYR 80 Ca 0.33 -0.91 -0.02 0.00 -2.44 0.00 0.00 57.07 54.03 2tss s TYR 80 Cb -0.11 -2.18 -0.02 0.00 0.35 0.00 0.00 41.96 40.00 2tss s TYR 80 CO 0.26 -0.54 -0.07 0.42 -1.34 0.00 0.00 175.55 174.28 2tss s ILE 81 N 1.50 3.59 -0.02 3.14 1.01 0.11 -0.65 121.20 129.87 2tss s ILE 81 Ca 0.04 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 2tss s ILE 81 Cb -0.16 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 2tss s ILE 81 CO -0.00 0.51 0.12 -1.00 0.00 0.00 0.00 174.94 174.57 2tss s HIS 82 N 0.25 3.41 -0.29 3.97 3.76 0.71 -1.50 115.29 125.59 2tss s HIS 82 Ca -0.05 0.29 0.00 0.00 -0.15 0.00 0.00 55.06 55.16 2tss s HIS 82 Cb -0.14 -1.79 0.06 0.00 1.11 0.00 0.00 32.58 31.81 2tss s HIS 82 CO 0.04 0.60 -0.03 -0.06 -0.85 0.00 0.00 174.74 174.44 2tss s PHE 83 N -1.21 3.30 0.36 1.40 0.08 -1.26 -0.59 117.98 120.06 2tss s PHE 83 Ca 0.23 -2.12 0.03 0.00 0.12 0.00 0.00 56.93 55.20 2tss s PHE 83 Cb -0.12 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 2tss s PHE 83 CO 0.14 -0.85 0.10 -0.65 -0.10 0.00 0.00 175.22 173.86 2tss s GLN 84 N 1.18 1.77 -0.06 0.44 -0.21 -0.60 -0.49 119.66 121.69 2tss s GLN 84 Ca -0.05 -2.04 -0.01 0.00 0.02 0.00 0.00 55.36 53.28 2tss s GLN 84 Cb -0.20 -0.67 0.03 0.00 1.00 0.00 0.00 33.01 33.17 2tss s GLN 84 CO -0.03 -0.35 -0.01 -1.50 -2.12 0.00 0.00 175.29 171.28 2tss s ILE 85 N -3.30 0.43 0.00 1.08 2.07 -0.64 -1.93 121.20 118.91 2tss s ILE 85 Ca 0.30 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.58 2tss s ILE 85 Cb 0.05 -0.55 0.00 0.00 0.13 0.00 0.00 42.46 42.10 2tss s ILE 85 CO 0.15 0.25 0.00 -0.24 -1.91 0.00 0.00 174.94 173.19 2tss n SER 86 N 4.80 -4.15 -0.70 4.50 2.88 -0.51 -4.03 113.62 116.42 2tss n SER 86 Ca -0.13 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.36 2tss n SER 86 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2tss n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2tss n GLY 87 N 0.00 0.31 3.35 0.46 0.00 -1.26 -4.63 105.19 103.42 2tss n GLY 87 Ca 0.00 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 2tss n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2tss s VAL 88 N -2.46 3.29 0.29 1.61 1.01 -1.26 -1.47 120.40 121.41 2tss s VAL 88 Ca 0.04 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2tss s VAL 88 Cb -0.02 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 2tss s VAL 88 CO 0.04 0.47 0.14 0.42 0.00 0.00 0.00 175.10 176.18 2tss s THR 89 N 0.90 0.39 1.22 3.92 -4.23 -0.85 -4.90 115.64 112.08 2tss s THR 89 Ca -0.02 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.29 2tss s THR 89 Cb -0.15 -2.54 0.30 0.00 1.34 0.00 0.00 72.50 71.45 2tss s THR 89 CO 0.00 0.00 1.12 0.54 -0.54 0.00 0.00 174.62 175.75 2tss s ASN 90 N -3.36 0.79 -0.01 3.99 2.20 -1.26 -0.87 114.94 116.41 2tss s ASN 90 Ca 0.36 0.54 0.22 0.00 -0.94 0.00 0.00 52.86 53.05 2tss s ASN 90 Cb 0.06 -0.71 0.66 0.00 -2.00 0.00 0.00 41.25 39.25 2tss s ASN 90 CO 0.16 -4.20 1.55 0.35 -2.94 0.00 0.00 177.10 172.03 2tss n THR 91 N -4.80 1.06 -1.87 0.54 -2.24 -1.26 -4.26 114.28 101.46 2tss n THR 91 Ca 0.14 -1.01 -0.41 0.00 -2.27 0.00 0.00 64.05 60.50 2tss n THR 91 Cb 0.60 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 2tss n THR 91 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2tss s GLU 92 N -1.06 4.18 0.26 -0.78 2.02 -1.26 -4.95 118.70 117.11 2tss s GLU 92 Ca 0.50 2.47 0.09 0.00 0.02 0.00 0.00 54.97 58.05 2tss s GLU 92 Cb 0.26 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 2tss s GLU 92 CO 0.33 -0.56 0.05 0.15 0.02 0.00 0.00 175.26 175.26 2tss s LYS 93 N -0.35 2.46 0.36 1.61 -0.14 -1.26 -1.05 119.74 121.37 2tss s LYS 93 Ca 0.62 -1.32 -0.03 0.00 -1.36 0.00 0.00 55.97 53.88 2tss s LYS 93 Cb -0.46 -2.27 -0.04 0.00 -1.68 0.00 0.00 37.83 33.39 2tss s LYS 93 CO 0.45 0.37 0.61 -0.51 -0.76 0.00 0.00 175.35 175.52 2tss s LEU 94 N -3.72 3.93 0.27 3.17 1.43 0.12 -4.59 118.68 119.29 2tss s LEU 94 Ca 0.32 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 2tss s LEU 94 Cb -0.07 -3.55 0.61 0.00 0.03 0.00 0.00 46.19 43.21 2tss s LEU 94 CO 0.21 -0.33 1.71 -0.65 0.23 0.00 0.00 176.35 177.52 2tss h PRO 95 N 0.98 0.41 -3.19 1.29 0.11 -2.00 -3.42 132.00 126.18 2tss h PRO 95 Ca -0.48 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 2tss h PRO 95 Cb 1.20 -0.09 -0.19 0.00 0.11 0.00 0.00 31.00 32.03 2tss h PRO 95 CO 0.63 0.27 -0.31 0.95 -0.21 0.00 0.00 178.00 179.34 2tss s THR 96 N -5.95 0.07 0.80 -1.15 -4.23 -1.26 -5.15 115.64 98.77 2tss s THR 96 Ca -0.12 -0.58 -0.14 0.00 -1.18 0.00 0.00 61.69 59.67 2tss s THR 96 Cb 0.23 -0.68 0.02 0.00 1.34 0.00 0.00 72.50 73.42 2tss s THR 96 CO 0.77 -0.32 0.77 -2.65 -0.54 0.00 0.00 174.62 172.66 2tss n PRO 97 N 1.11 0.16 -4.19 3.99 -0.02 -1.26 -4.88 135.00 129.91 2tss n PRO 97 Ca -0.21 0.11 -0.11 0.00 -2.02 0.00 0.00 63.50 61.27 2tss n PRO 97 Cb 0.57 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.87 2tss n PRO 97 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2tss s ILE 98 N -2.07 0.80 -0.19 4.25 -4.36 -0.13 -4.91 121.20 114.59 2tss s ILE 98 Ca 0.67 -1.95 -0.05 0.00 -0.26 0.00 0.00 60.65 59.05 2tss s ILE 98 Cb -0.30 -1.71 -0.03 0.00 1.25 0.00 0.00 42.46 41.67 2tss s ILE 98 CO 0.57 -0.84 0.01 -0.70 0.24 0.00 0.00 174.94 174.22 2tss s GLU 99 N -3.79 3.71 0.11 0.37 2.12 -1.26 -1.43 118.70 118.53 2tss s GLU 99 Ca 0.13 -0.48 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 2tss s GLU 99 Cb 0.04 -3.09 -0.06 0.00 0.26 0.00 0.00 34.13 31.28 2tss s GLU 99 CO -0.03 0.10 1.02 -0.51 -0.54 0.00 0.00 175.26 175.29 2tss s LEU 100 N 0.78 4.47 -0.75 2.70 1.43 -1.26 -4.96 118.68 121.09 2tss s LEU 100 Ca 0.01 1.87 -0.26 0.00 -1.03 0.00 0.00 54.13 54.72 2tss s LEU 100 Cb -0.14 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 2tss s LEU 100 CO 0.02 -0.16 1.90 -2.84 0.23 0.00 0.00 176.35 175.50 2tss s PRO 101 N 0.10 2.60 -0.19 1.29 0.02 -1.26 -4.97 135.00 132.58 2tss s PRO 101 Ca 0.49 0.17 -0.05 0.00 0.02 0.00 0.00 61.00 61.63 2tss s PRO 101 Cb -0.25 -4.71 -0.03 0.00 0.02 0.00 0.00 34.50 29.53 2tss s PRO 101 CO 0.31 -3.04 0.01 -1.17 -0.33 0.00 0.00 177.00 172.78 2tss s LEU 102 N 9.53 3.35 -0.13 -5.54 2.96 -1.26 -1.13 118.68 126.47 2tss s LEU 102 Ca 0.68 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 2tss s LEU 102 Cb -0.10 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.75 2tss s LEU 102 CO 0.10 0.10 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.48 2tss s LYS 103 N 0.80 3.08 -0.04 1.98 1.02 -0.50 -4.96 119.74 121.12 2tss s LYS 103 Ca 0.01 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.20 2tss s LYS 103 Cb -0.14 -2.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.72 2tss s LYS 103 CO 0.02 0.07 -0.17 0.08 -0.92 0.00 0.00 175.35 174.44 2tss s VAL 104 N 0.61 2.85 -0.04 3.17 1.01 -1.26 -0.92 120.40 125.82 2tss s VAL 104 Ca -0.11 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2tss s VAL 104 Cb -0.16 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.13 2tss s VAL 104 CO 0.03 0.59 -0.10 -0.54 0.00 0.00 0.00 175.10 175.07 2tss s LYS 105 N -0.70 1.26 -0.20 2.72 1.02 -0.46 -1.12 119.74 122.26 2tss s LYS 105 Ca 0.11 -0.35 0.02 0.00 0.02 0.00 0.00 55.97 55.77 2tss s LYS 105 Cb -0.11 -1.12 0.03 0.00 -0.52 0.00 0.00 37.83 36.12 2tss s LYS 105 CO 0.00 0.08 -0.17 0.08 -0.92 0.00 0.00 175.35 174.42 2tss s VAL 106 N 0.40 2.08 -1.43 3.17 1.01 0.40 -0.88 120.40 125.16 2tss s VAL 106 Ca -0.08 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.67 2tss s VAL 106 Cb -0.12 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.33 2tss s VAL 106 CO 0.02 0.36 0.95 1.41 0.00 0.00 0.00 175.10 177.83 2tss n HIS 107 N 4.57 -2.30 0.00 5.22 8.25 -0.46 -1.19 115.22 129.31 2tss n HIS 107 Ca -0.19 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 58.18 2tss n HIS 107 Cb 0.48 -4.32 0.00 0.00 1.12 0.00 0.00 29.99 27.26 2tss n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2tss n GLY 108 N -1.69 2.95 3.83 -1.41 0.00 -1.26 -5.00 105.19 102.62 2tss n GLY 108 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 2tss n GLY 108 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2tss s LYS 109 N -0.06 3.69 0.41 1.61 2.20 -0.33 -5.03 119.74 122.24 2tss s LYS 109 Ca 0.00 -0.13 -0.27 0.00 -0.36 0.00 0.00 55.97 55.22 2tss s LYS 109 Cb 0.00 -3.26 -0.10 0.00 -1.51 0.00 0.00 37.83 32.96 2tss s LYS 109 CO 0.00 0.63 1.42 -0.25 -0.36 0.00 0.00 175.35 176.79 2tss n ASP 110 N 2.45 3.36 -3.75 1.43 8.00 -1.26 -0.45 116.55 126.32 2tss n ASP 110 Ca -0.18 1.17 -0.28 0.00 0.71 0.00 0.00 54.79 56.20 2tss n ASP 110 Cb 0.54 -1.59 -0.16 0.00 -0.02 0.00 0.00 41.12 39.89 2tss n ASP 110 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2tss s SER 111 N -0.33 3.16 0.61 -2.24 0.15 -0.27 -4.82 113.70 109.95 2tss s SER 111 Ca 0.57 -0.97 -0.19 0.00 0.70 0.00 0.00 55.95 56.07 2tss s SER 111 Cb -0.48 -0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 63.11 2tss s SER 111 CO 0.60 -0.32 1.07 -0.81 1.20 0.00 0.00 173.24 174.99 2tss n PRO 112 N 4.99 0.99 -2.33 5.44 -0.04 -1.26 -4.29 135.00 138.51 2tss n PRO 112 Ca -0.08 0.39 -0.31 0.00 -0.04 0.00 0.00 63.50 63.46 2tss n PRO 112 Cb 0.46 -2.28 -0.01 0.00 -0.04 0.00 0.00 33.50 31.63 2tss n PRO 112 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2tss s LEU 113 N -2.67 3.52 -0.14 1.53 1.43 -1.26 -5.02 118.68 116.07 2tss s LEU 113 Ca 0.77 1.32 -0.06 0.00 -1.03 0.00 0.00 54.13 55.14 2tss s LEU 113 Cb -0.41 -4.29 0.06 0.00 0.03 0.00 0.00 46.19 41.58 2tss s LEU 113 CO 0.45 -0.65 0.29 -0.75 0.23 0.00 0.00 176.35 175.92 2tss s LYS 114 N -4.55 0.21 -1.63 1.70 2.47 -1.26 -4.90 119.74 111.77 2tss s LYS 114 Ca 0.54 0.74 -0.02 0.00 -1.56 0.00 0.00 55.97 55.67 2tss s LYS 114 Cb -0.10 -0.00 0.00 0.00 -1.46 0.00 0.00 37.83 36.27 2tss s LYS 114 CO 0.42 -0.24 0.28 0.66 0.16 0.00 0.00 175.35 176.63 2tss n TYR 115 N 4.99 -1.40 -2.64 4.03 4.01 -1.26 -4.95 117.16 119.94 2tss n TYR 115 Ca -0.13 0.24 -0.43 0.00 -0.16 0.00 0.00 57.90 57.42 2tss n TYR 115 Cb 0.51 -4.13 -0.02 0.00 -0.31 0.00 0.00 39.34 35.39 2tss n TYR 115 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 2tss s TRP 116 N -3.08 3.26 0.87 -0.72 -0.00 -1.26 -5.02 118.94 113.00 2tss s TRP 116 Ca 0.14 1.38 -0.13 0.00 -0.00 0.00 0.00 56.10 57.49 2tss s TRP 116 Cb -0.06 -3.37 0.12 0.00 -0.00 0.00 0.00 33.47 30.16 2tss s TRP 116 CO 0.17 -0.63 1.21 -1.25 -0.00 0.00 0.00 176.95 176.46 2tss s PRO 117 N 3.31 1.43 0.24 5.86 0.04 -1.26 -5.08 135.00 139.55 2tss s PRO 117 Ca 0.45 -0.02 0.06 0.00 0.04 0.00 0.00 61.00 61.53 2tss s PRO 117 Cb -0.15 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2tss s PRO 117 CO 0.08 -1.94 0.26 0.15 0.04 0.00 0.00 177.00 175.60 2tss s LYS 118 N -5.63 3.15 0.05 4.56 1.02 -1.26 -4.65 119.74 116.97 2tss s LYS 118 Ca 0.66 -0.91 0.06 0.00 0.02 0.00 0.00 55.97 55.80 2tss s LYS 118 Cb -0.09 -2.71 -0.02 0.00 -0.52 0.00 0.00 37.83 34.48 2tss s LYS 118 CO 0.51 0.42 -0.18 -0.06 -0.92 0.00 0.00 175.35 175.12 2tss s PHE 119 N -2.04 1.56 0.00 3.18 0.08 -0.51 -4.90 117.98 115.34 2tss s PHE 119 Ca 0.33 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.01 2tss s PHE 119 Cb -0.09 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.45 2tss s PHE 119 CO 0.27 0.07 0.91 -0.40 -0.10 0.00 0.00 175.22 175.97 2tss n ASP 120 N 1.82 1.79 -4.84 1.36 5.75 -1.26 -0.96 116.55 120.21 2tss n ASP 120 Ca -0.18 -1.83 -0.36 0.00 -0.01 0.00 0.00 54.79 52.42 2tss n ASP 120 Cb 0.54 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.57 2tss n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2tss s LYS 121 N -0.83 4.03 0.08 0.11 1.02 -1.26 0.14 119.74 123.04 2tss s LYS 121 Ca 0.00 0.56 -0.17 0.00 0.02 0.00 0.00 55.97 56.38 2tss s LYS 121 Cb 0.00 -2.98 -0.09 0.00 -0.52 0.00 0.00 37.83 34.24 2tss s LYS 121 CO 0.00 0.50 1.44 -0.22 -0.92 0.00 0.00 175.35 176.15 2tss h LYS 122 N 3.71 0.55 -6.06 1.68 1.63 -1.34 -3.43 116.57 113.32 2tss h LYS 122 Ca -0.49 -0.25 -0.57 0.00 -0.85 0.00 0.00 60.65 58.50 2tss h LYS 122 Cb 1.20 -0.01 -0.25 0.00 -0.60 0.00 0.00 32.23 32.57 2tss h LYS 122 CO 0.65 0.81 -0.83 1.14 -3.45 0.00 0.00 179.45 177.77 2tss s GLN 123 N -4.58 1.29 0.00 1.90 -2.07 -1.26 -1.32 119.66 113.63 2tss s GLN 123 Ca -0.13 -0.99 0.01 0.00 -1.82 0.00 0.00 55.36 52.43 2tss s GLN 123 Cb 0.08 -1.44 -0.00 0.00 -1.09 0.00 0.00 33.01 30.55 2tss s GLN 123 CO 0.78 0.36 -0.03 -0.51 -1.32 0.00 0.00 175.29 174.57 2tss s LEU 124 N -1.37 2.03 0.58 2.60 1.43 -0.81 -4.89 118.68 118.25 2tss s LEU 124 Ca 0.07 -0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 2tss s LEU 124 Cb -0.09 -0.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 2tss s LEU 124 CO 0.02 0.01 1.15 0.00 0.23 0.00 0.00 176.35 177.76 2tss s ALA 125 N -0.18 2.60 0.38 4.21 0.00 -1.26 -1.86 121.76 125.66 2tss s ALA 125 Ca 0.00 0.82 0.09 0.00 0.00 0.00 0.00 51.96 52.87 2tss s ALA 125 Cb -0.02 -3.38 0.77 0.00 0.00 0.00 0.00 23.12 20.50 2tss s ALA 125 CO -0.00 -0.98 1.92 0.82 0.00 0.00 0.00 175.76 177.51 2tss h ILE 126 N 0.87 1.18 0.00 0.00 2.04 -1.84 -1.36 117.51 118.40 2tss h ILE 126 Ca -0.49 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 64.53 2tss h ILE 126 Cb 1.27 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 2tss h ILE 126 CO 0.56 0.24 -0.35 0.77 0.00 0.00 0.00 178.15 179.36 2tss h SER 127 N 0.26 0.00 -0.16 1.72 4.64 -1.91 0.52 113.55 118.62 2tss h SER 127 Ca 0.05 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 2tss h SER 127 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2tss h SER 127 CO 0.02 0.35 -0.36 0.74 -0.87 0.00 0.00 176.83 176.71 2tss h THR 128 N 0.00 1.35 -0.72 2.95 2.02 -1.55 -1.71 112.91 115.26 2tss h THR 128 Ca -0.00 -1.62 -0.05 0.00 0.77 0.00 0.00 66.41 65.51 2tss h THR 128 Cb 0.68 1.99 -0.03 0.00 -1.74 0.00 0.00 68.15 69.05 2tss h THR 128 CO 0.05 0.49 0.26 -0.07 0.37 0.00 0.00 175.52 176.62 2tss h LEU 129 N 0.15 1.00 0.13 2.58 3.38 -1.06 -0.80 115.31 120.69 2tss h LEU 129 Ca -0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2tss h LEU 129 Cb 0.97 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2tss h LEU 129 CO 0.08 0.90 -0.10 -0.78 0.09 0.00 0.00 178.44 178.63 2tss h ASP 130 N 1.05 -0.26 -0.49 -0.43 3.58 -0.78 -1.20 116.42 117.90 2tss h ASP 130 Ca 0.24 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.71 2tss h ASP 130 Cb 0.24 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 2tss h ASP 130 CO -0.02 -0.16 0.32 2.19 -2.88 0.00 0.00 179.24 178.69 2tss h PHE 131 N -0.24 0.62 -0.19 0.28 -5.15 -0.97 -1.17 116.94 110.12 2tss h PHE 131 Ca -0.00 0.01 0.01 0.00 -0.20 0.00 0.00 57.97 57.78 2tss h PHE 131 Cb 0.22 -0.21 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 2tss h PHE 131 CO -0.10 0.40 0.11 0.93 -2.00 0.00 0.00 178.31 177.65 2tss h GLU 132 N 0.66 0.22 0.27 6.09 4.39 -0.96 -0.29 114.58 124.96 2tss h GLU 132 Ca 0.18 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2tss h GLU 132 Cb -0.06 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2tss h GLU 132 CO -0.04 0.14 -0.13 0.82 -1.16 0.00 0.00 179.01 178.64 2tss h ILE 133 N 0.23 0.72 0.00 3.13 2.04 -1.06 -2.01 117.51 120.56 2tss h ILE 133 Ca 0.08 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 2tss h ILE 133 Cb -0.00 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2tss h ILE 133 CO -0.04 0.00 -0.28 0.03 0.00 0.00 0.00 178.15 177.86 2tss h ARG 134 N -0.37 0.00 -0.50 2.37 3.08 -1.14 -1.18 114.38 116.63 2tss h ARG 134 Ca -0.03 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 2tss h ARG 134 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2tss h ARG 134 CO 0.05 0.28 -0.19 1.25 -1.07 0.00 0.00 179.97 180.30 2tss h HIS 135 N 0.00 1.15 -0.61 3.04 2.76 -0.88 0.97 115.15 121.58 2tss h HIS 135 Ca -0.00 -0.27 -0.02 0.00 -2.20 0.00 0.00 60.37 57.88 2tss h HIS 135 Cb 0.54 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 2tss h HIS 135 CO 0.00 1.10 0.31 0.37 -1.30 0.00 0.00 177.93 178.41 2tss h GLN 136 N 0.88 0.87 -0.61 5.26 5.75 -0.60 -1.21 115.11 125.44 2tss h GLN 136 Ca 0.12 -0.12 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 2tss h GLN 136 Cb 0.77 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 2tss h GLN 136 CO 0.06 0.69 0.11 -0.07 -2.65 0.00 0.00 178.83 176.97 2tss h LEU 137 N 0.84 0.97 -0.17 -2.39 3.38 -0.81 -0.70 115.31 116.43 2tss h LEU 137 Ca 0.21 -0.26 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 2tss h LEU 137 Cb 0.09 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.59 2tss h LEU 137 CO -0.03 0.98 -0.91 0.71 0.09 0.00 0.00 178.44 179.28 2tss h THR 138 N 0.92 1.35 0.19 0.22 1.35 -0.67 -1.40 112.91 114.87 2tss h THR 138 Ca 0.19 -2.28 -0.31 0.00 -0.55 0.00 0.00 66.41 63.46 2tss h THR 138 Cb 0.42 2.29 0.02 0.00 -1.73 0.00 0.00 68.15 69.16 2tss h THR 138 CO 0.01 0.69 -1.35 1.56 -0.25 0.00 0.00 175.52 176.18 2tss h GLN 139 N 0.33 0.44 0.00 4.72 1.08 -1.19 -3.32 115.11 117.16 2tss h GLN 139 Ca -0.08 -0.72 -0.27 0.00 -1.45 0.00 0.00 58.65 56.13 2tss h GLN 139 Cb 1.54 0.27 -0.05 0.00 -0.05 0.00 0.00 27.48 29.18 2tss h GLN 139 CO 0.17 1.34 -2.04 -0.89 -0.95 0.00 0.00 178.83 176.45 2tss n ILE 140 N -3.65 1.02 -0.11 2.54 2.08 -0.27 -4.71 119.36 116.26 2tss n ILE 140 Ca -0.13 -0.64 0.04 0.00 0.56 0.00 0.00 62.75 62.58 2tss n ILE 140 Cb 1.06 -0.56 0.11 0.00 -0.75 0.00 0.00 39.64 39.50 2tss n ILE 140 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2tss n HIS 141 N -2.55 0.34 -1.02 1.39 8.25 -0.60 -5.00 115.22 116.03 2tss n HIS 141 Ca -0.24 -0.47 -0.01 0.00 -0.26 0.00 0.00 57.72 56.74 2tss n HIS 141 Cb 0.98 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 32.06 2tss n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2tss n GLY 142 N 0.30 0.48 3.71 -1.41 0.00 -0.89 -4.95 105.19 102.44 2tss n GLY 142 Ca 0.09 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 2tss n GLY 142 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2tss n LEU 143 N -0.07 3.90 0.00 0.99 7.94 -0.76 -2.26 117.00 126.74 2tss n LEU 143 Ca -0.01 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 2tss n LEU 143 Cb 0.05 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.45 2tss n LEU 143 CO 0.01 0.08 0.00 -1.22 -1.11 0.00 0.00 177.39 175.15 2tss n TYR 144 N 3.40 0.00 0.28 1.96 4.01 0.17 -4.47 117.16 122.51 2tss n TYR 144 Ca 0.14 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.00 2tss n TYR 144 Cb 0.34 -0.39 0.13 0.00 -0.31 0.00 0.00 39.34 39.12 2tss n TYR 144 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2tss h ARG 145 N 1.89 0.00 -3.63 -0.72 3.08 -1.66 -3.45 114.38 109.89 2tss h ARG 145 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2tss h ARG 145 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.90 2tss h ARG 145 CO 0.00 0.00 -0.31 -1.54 -1.07 0.00 0.00 179.97 177.05 2tss s SER 146 N -5.39 0.01 0.29 7.04 1.04 -1.26 -5.01 113.70 110.42 2tss s SER 146 Ca 0.04 -0.49 0.19 0.00 0.48 0.00 0.00 55.95 56.18 2tss s SER 146 Cb 0.09 0.36 1.05 0.00 0.10 0.00 0.00 66.02 67.62 2tss s SER 146 CO 0.72 -0.71 1.60 -1.54 0.98 0.00 0.00 173.24 174.29 2tss n SER 147 N 0.12 0.51 -0.73 7.02 3.41 -1.26 -1.86 113.62 120.82 2tss n SER 147 Ca -0.16 0.73 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 2tss n SER 147 Cb 0.62 -0.80 0.33 0.00 -0.26 0.00 0.00 64.21 64.10 2tss n SER 147 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2tss n ASP 148 N -2.18 2.23 -3.37 4.04 5.75 -1.26 -4.45 116.55 117.31 2tss n ASP 148 Ca -0.01 -1.77 -0.26 0.00 -0.01 0.00 0.00 54.79 52.74 2tss n ASP 148 Cb 0.04 -0.09 -0.09 0.00 -1.03 0.00 0.00 41.12 39.95 2tss n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2tss n LYS 149 N 0.71 0.55 -0.12 0.11 5.02 -0.78 -4.78 118.16 118.87 2tss n LYS 149 Ca 0.17 -3.34 0.01 0.00 -2.02 0.00 0.00 58.31 53.13 2tss n LYS 149 Cb 0.44 -1.60 0.01 0.00 -0.02 0.00 0.00 35.03 33.87 2tss n LYS 149 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2tss n THR 150 N 2.28 0.37 -3.82 -0.18 -2.24 -1.15 -0.65 114.28 108.88 2tss n THR 150 Ca 0.27 -0.40 -0.10 0.00 -2.27 0.00 0.00 64.05 61.54 2tss n THR 150 Cb 0.48 0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 69.39 2tss n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2tss n GLY 151 N -0.23 1.71 0.00 3.38 0.00 -1.12 -4.16 105.19 104.78 2tss n GLY 151 Ca 0.01 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2tss n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tss n GLY 152 N -0.47 0.40 3.69 -0.02 0.00 -1.26 -0.40 105.19 107.14 2tss n GLY 152 Ca -0.03 -2.00 -0.03 0.00 0.00 0.00 0.00 46.02 43.96 2tss n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2tss s TYR 153 N -0.82 -0.14 0.14 1.61 -0.85 -0.42 -1.18 117.35 115.68 2tss s TYR 153 Ca 0.00 -0.10 0.09 0.00 -0.52 0.00 0.00 57.07 56.54 2tss s TYR 153 Cb 0.00 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.90 2tss s TYR 153 CO 0.00 -0.66 -0.21 1.67 -1.52 0.00 0.00 175.55 174.83 2tss s TRP 154 N -3.06 1.93 -0.08 -3.49 1.48 -0.88 -0.93 118.94 113.91 2tss s TRP 154 Ca 0.12 -0.42 -0.04 0.00 -1.06 0.00 0.00 56.10 54.70 2tss s TRP 154 Cb -0.00 -1.01 0.04 0.00 -1.16 0.00 0.00 33.47 31.34 2tss s TRP 154 CO -0.01 0.30 0.18 0.21 -4.06 0.00 0.00 176.95 173.57 2tss s LYS 155 N -2.31 0.11 -0.13 3.25 2.36 0.98 -2.14 119.74 121.87 2tss s LYS 155 Ca 0.12 0.46 -0.03 0.00 -2.55 0.00 0.00 55.97 53.97 2tss s LYS 155 Cb -0.08 -0.17 -0.03 0.00 -1.05 0.00 0.00 37.83 36.49 2tss s LYS 155 CO 0.06 -0.19 -0.03 0.42 1.55 0.00 0.00 175.35 177.16 2tss s ILE 156 N 1.42 4.00 -0.14 5.43 1.01 0.69 -0.79 121.20 132.81 2tss s ILE 156 Ca -0.07 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.27 2tss s ILE 156 Cb -0.11 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.64 2tss s ILE 156 CO -0.07 0.52 -0.20 -0.89 0.00 0.00 0.00 174.94 174.30 2tss s THR 157 N -0.00 2.21 0.49 2.92 2.01 -0.13 -1.20 115.64 121.95 2tss s THR 157 Ca 0.01 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 2tss s THR 157 Cb -0.13 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 2tss s THR 157 CO 0.02 0.54 0.79 -0.04 -0.69 0.00 0.00 174.62 175.24 2tss s MET 158 N 0.80 3.35 0.63 4.92 1.00 0.22 -0.13 119.30 130.09 2tss s MET 158 Ca -0.07 0.06 0.32 0.00 0.00 0.00 0.00 55.69 56.00 2tss s MET 158 Cb -0.16 -2.39 1.75 0.00 0.00 0.00 0.00 34.83 34.04 2tss s MET 158 CO -0.01 -0.30 2.06 -0.91 0.00 0.00 0.00 175.02 175.86 2tss h ASN 159 N 0.18 0.00 -0.24 3.03 2.35 -0.91 -0.49 115.58 119.50 2tss h ASN 159 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 2tss h ASN 159 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2tss h ASN 159 CO 0.61 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.49 2tss n ASP 160 N -3.38 2.79 0.00 5.81 5.75 -1.26 -4.96 116.55 121.29 2tss n ASP 160 Ca 0.01 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 2tss n ASP 160 Cb 0.35 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 2tss n ASP 160 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2tss n GLY 161 N 1.36 2.12 3.78 6.12 0.00 -0.19 -5.06 105.19 113.31 2tss n GLY 161 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2tss n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2tss s SER 162 N -1.41 6.00 0.16 1.61 1.04 -1.26 -4.74 113.70 115.11 2tss s SER 162 Ca 0.00 2.06 0.06 0.00 0.48 0.00 0.00 55.95 58.55 2tss s SER 162 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 2tss s SER 162 CO 0.00 -1.02 -0.12 0.42 0.98 0.00 0.00 173.24 173.50 2tss s THR 163 N -1.87 1.35 -0.00 2.02 -4.23 -1.26 -0.61 115.64 111.05 2tss s THR 163 Ca 0.70 -2.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 2tss s THR 163 Cb -0.20 -1.85 -0.01 0.00 1.34 0.00 0.00 72.50 71.78 2tss s THR 163 CO 0.24 -0.65 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.30 2tss s TYR 164 N -3.04 0.51 0.00 3.99 2.02 -0.34 -4.97 117.35 115.52 2tss s TYR 164 Ca 0.17 -0.11 -0.16 0.00 -0.37 0.00 0.00 57.07 56.60 2tss s TYR 164 Cb 0.00 -0.33 0.03 0.00 -0.40 0.00 0.00 41.96 41.26 2tss s TYR 164 CO 0.03 -0.01 0.34 1.14 -1.57 0.00 0.00 175.55 175.47 2tss s GLN 165 N -0.20 0.74 0.00 -0.62 -2.07 -1.26 -0.22 119.66 116.03 2tss s GLN 165 Ca 0.02 -0.24 0.02 0.00 -1.82 0.00 0.00 55.36 53.33 2tss s GLN 165 Cb -0.02 0.33 -0.01 0.00 -1.09 0.00 0.00 33.01 32.22 2tss s GLN 165 CO -0.00 -0.22 -0.06 0.45 -1.32 0.00 0.00 175.29 174.14 2tss s SER 166 N -1.53 0.74 -0.10 12.60 0.15 -0.91 -4.99 113.70 119.66 2tss s SER 166 Ca -0.11 -0.18 -0.27 0.00 0.70 0.00 0.00 55.95 56.09 2tss s SER 166 Cb -0.04 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 2tss s SER 166 CO 0.03 0.03 0.89 -0.62 1.20 0.00 0.00 173.24 174.76 2tss s ASP 167 N -0.38 7.12 0.38 5.45 -1.08 -1.26 -2.08 116.67 124.82 2tss s ASP 167 Ca 0.00 1.37 0.28 0.00 -0.52 0.00 0.00 52.55 53.68 2tss s ASP 167 Cb -0.04 -2.50 1.10 0.00 -1.46 0.00 0.00 42.92 40.02 2tss s ASP 167 CO -0.00 -0.34 1.82 -0.07 0.52 0.00 0.00 175.17 177.10 2tss h LEU 168 N 7.70 0.00 -0.45 -1.34 3.38 -1.48 -3.01 115.31 120.11 2tss h LEU 168 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2tss h LEU 168 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2tss h LEU 168 CO 0.81 0.00 -0.00 -1.54 0.09 0.00 0.00 178.44 177.80 2tss n SER 169 N -2.63 0.70 -4.20 -0.43 3.41 -1.26 -4.73 113.62 104.49 2tss n SER 169 Ca 0.02 -1.22 -0.12 0.00 -0.26 0.00 0.00 58.87 57.29 2tss n SER 169 Cb 0.29 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.14 2tss n SER 169 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2tss s LYS 170 N -2.01 0.91 0.67 4.33 1.02 -1.14 -4.94 119.74 118.58 2tss s LYS 170 Ca 0.43 -1.36 -0.14 0.00 0.02 0.00 0.00 55.97 54.92 2tss s LYS 170 Cb 0.21 -0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.16 2tss s LYS 170 CO 0.36 0.02 1.09 0.21 -0.92 0.00 0.00 175.35 176.11 2tss s LYS 171 N -3.74 2.81 0.35 1.68 2.20 -1.26 -4.82 119.74 116.96 2tss s LYS 171 Ca 0.13 1.28 -0.28 0.00 -0.36 0.00 0.00 55.97 56.74 2tss s LYS 171 Cb 0.04 -1.96 -0.12 0.00 -1.51 0.00 0.00 37.83 34.28 2tss s LYS 171 CO -0.03 -1.22 1.32 0.34 -0.36 0.00 0.00 175.35 175.40 2tss n PHE 172 N -2.59 2.39 -2.56 4.03 7.35 -1.26 -4.88 117.46 119.95 2tss n PHE 172 Ca 0.10 0.54 -0.42 0.00 -0.76 0.00 0.00 57.45 56.90 2tss n PHE 172 Cb 0.52 -2.43 -0.01 0.00 0.35 0.00 0.00 39.48 37.91 2tss n PHE 172 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2tss s GLU 173 N -1.91 3.80 0.32 -4.13 2.02 -1.26 -4.83 118.70 112.71 2tss s GLU 173 Ca 0.55 -1.64 0.03 0.00 0.02 0.00 0.00 54.97 53.93 2tss s GLU 173 Cb -0.55 -5.46 0.54 0.00 0.10 0.00 0.00 34.13 28.75 2tss s GLU 173 CO 0.62 -2.29 1.83 1.88 0.02 0.00 0.00 175.26 177.32 2tss h TYR 174 N 8.47 0.56 0.00 1.61 0.05 -1.99 -2.75 116.97 122.92 2tss h TYR 174 Ca 0.35 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 59.06 2tss h TYR 174 Cb 0.92 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.51 2tss h TYR 174 CO 1.37 0.59 0.00 0.27 -1.05 0.00 0.00 178.16 179.34 2tss n ASN 175 N -4.24 0.00 0.00 3.88 0.23 -1.26 -2.42 115.26 111.45 2tss n ASN 175 Ca 0.01 -0.07 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 2tss n ASN 175 Cb 0.29 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 2tss n ASN 175 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2tss n THR 176 N -1.26 0.72 -1.61 5.53 -2.24 -1.10 -4.24 114.28 110.08 2tss n THR 176 Ca 0.11 -0.77 -0.48 0.00 -2.27 0.00 0.00 64.05 60.64 2tss n THR 176 Cb 0.16 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 69.02 2tss n THR 176 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2tss n GLU 177 N -0.36 1.43 -2.66 -0.78 2.13 -1.02 -4.90 120.64 114.48 2tss n GLU 177 Ca 0.00 0.51 -0.25 0.00 0.66 0.00 0.00 57.16 58.08 2tss n GLU 177 Cb 0.26 -2.06 0.02 0.00 0.27 0.00 0.00 31.44 29.93 2tss n GLU 177 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2tss s LYS 178 N -0.36 2.98 0.75 5.31 -0.14 -1.26 -3.50 119.74 123.52 2tss s LYS 178 Ca 0.72 -0.24 -0.15 0.00 -1.36 0.00 0.00 55.97 54.94 2tss s LYS 178 Cb -0.79 -2.41 0.05 0.00 -1.68 0.00 0.00 37.83 33.00 2tss s LYS 178 CO 0.51 -0.50 1.24 -2.30 -0.76 0.00 0.00 175.35 173.54 2tss n PRO 179 N -2.35 0.55 -1.30 -1.68 -0.02 -1.25 -4.57 135.00 124.38 2tss n PRO 179 Ca 0.03 0.26 -0.36 0.00 -2.02 0.00 0.00 63.50 61.41 2tss n PRO 179 Cb 0.58 -2.48 0.08 0.00 -0.02 0.00 0.00 33.50 31.66 2tss n PRO 179 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2tss n PRO 180 N -2.73 0.39 -4.51 0.52 -0.02 -1.26 -4.71 135.00 122.67 2tss n PRO 180 Ca 0.15 0.18 -0.25 0.00 -2.02 0.00 0.00 63.50 61.55 2tss n PRO 180 Cb 0.49 -1.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.88 2tss n PRO 180 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2tss s ILE 181 N -1.87 2.36 -0.33 4.25 -4.36 -0.78 -4.91 121.20 115.56 2tss s ILE 181 Ca 0.69 -2.30 -0.25 0.00 -0.26 0.00 0.00 60.65 58.53 2tss s ILE 181 Cb -0.35 -2.49 0.01 0.00 1.25 0.00 0.00 42.46 40.88 2tss s ILE 181 CO 0.55 -0.29 0.89 0.20 0.24 0.00 0.00 174.94 176.52 2tss s ASN 182 N -3.56 6.71 0.41 4.36 0.01 -1.26 -1.92 114.94 119.69 2tss s ASN 182 Ca 0.31 0.68 0.29 0.00 -0.71 0.00 0.00 52.86 53.44 2tss s ASN 182 Cb -0.01 -2.45 1.36 0.00 0.41 0.00 0.00 41.25 40.56 2tss s ASN 182 CO 0.16 -0.75 1.88 0.16 -1.51 0.00 0.00 177.10 177.04 2tss h ILE 183 N 5.71 0.00 -0.00 0.60 3.07 -1.48 -1.58 117.51 123.82 2tss h ILE 183 Ca -0.23 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 65.96 2tss h ILE 183 Cb 1.08 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 2tss h ILE 183 CO 0.95 0.00 -0.06 -0.90 -1.05 0.00 0.00 178.15 177.09 2tss n ASP 184 N -2.60 0.35 -0.96 2.16 5.75 -1.26 -2.98 116.55 117.01 2tss n ASP 184 Ca 0.00 -0.64 0.11 0.00 -0.01 0.00 0.00 54.79 54.26 2tss n ASP 184 Cb 0.18 -0.10 0.13 0.00 -1.03 0.00 0.00 41.12 40.30 2tss n ASP 184 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2tss n GLU 185 N -0.95 2.21 -2.61 0.11 1.02 -0.60 -4.92 120.64 114.90 2tss n GLU 185 Ca 0.17 -1.97 -0.43 0.00 -0.02 0.00 0.00 57.16 54.92 2tss n GLU 185 Cb 0.24 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 2tss n GLU 185 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2tss s ILE 186 N -1.71 4.60 -0.16 -3.67 1.01 -1.16 -0.22 121.20 119.89 2tss s ILE 186 Ca 0.30 1.89 -0.21 0.00 0.00 0.00 0.00 60.65 62.63 2tss s ILE 186 Cb 0.20 -4.22 -0.18 0.00 0.01 0.00 0.00 42.46 38.27 2tss s ILE 186 CO 0.29 -0.03 0.37 0.50 0.00 0.00 0.00 174.94 176.06 2tss h LYS 187 N 7.31 0.00 -3.19 2.79 3.11 -0.79 -3.45 116.57 122.36 2tss h LYS 187 Ca -0.30 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.46 2tss h LYS 187 Cb 1.14 0.00 -0.17 0.00 -1.00 0.00 0.00 32.23 32.20 2tss h LYS 187 CO 0.89 0.78 -0.19 0.95 -2.81 0.00 0.00 179.45 179.07 2tss s THR 188 N -2.20 0.07 -0.08 1.00 -4.23 -0.94 -4.85 115.64 104.41 2tss s THR 188 Ca -0.20 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 2tss s THR 188 Cb 0.01 -0.94 0.02 0.00 1.34 0.00 0.00 72.50 72.94 2tss s THR 188 CO 0.52 -0.32 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.57 2tss s ILE 189 N -2.50 0.93 -0.02 2.99 1.01 -0.29 -0.95 121.20 122.38 2tss s ILE 189 Ca -0.05 -0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.35 2tss s ILE 189 Cb -0.01 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 2tss s ILE 189 CO -0.03 0.33 -0.17 -1.83 0.00 0.00 0.00 174.94 173.25 2tss s GLU 190 N 1.23 1.43 -0.03 2.79 -1.05 0.03 -1.41 118.70 121.69 2tss s GLU 190 Ca -0.05 -0.59 0.03 0.00 -0.15 0.00 0.00 54.97 54.21 2tss s GLU 190 Cb -0.14 -1.35 -0.00 0.00 -0.44 0.00 0.00 34.13 32.20 2tss s GLU 190 CO -0.02 0.33 -0.12 0.00 0.95 0.00 0.00 175.26 176.40 2tss s ALA 191 N -0.30 1.05 -0.05 -0.84 0.00 -0.10 -0.01 121.76 121.51 2tss s ALA 191 Ca 0.04 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.55 2tss s ALA 191 Cb -0.07 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.72 2tss s ALA 191 CO -0.00 0.20 -0.07 -1.21 0.00 0.00 0.00 175.76 174.68 2tss s GLU 192 N 0.04 1.09 -0.15 0.00 2.02 -0.11 -1.35 118.70 120.25 2tss s GLU 192 Ca -0.01 -0.19 -0.05 0.00 0.02 0.00 0.00 54.97 54.73 2tss s GLU 192 Cb -0.08 -1.02 -0.03 0.00 0.10 0.00 0.00 34.13 33.09 2tss s GLU 192 CO 0.01 -0.06 0.02 0.42 0.02 0.00 0.00 175.26 175.67 2tss s ILE 193 N 0.88 4.44 -2.12 -1.63 1.01 -0.06 -1.30 121.20 122.42 2tss s ILE 193 Ca -0.12 -0.17 0.17 0.00 0.00 0.00 0.00 60.65 60.53 2tss s ILE 193 Cb -0.15 -2.95 0.13 0.00 0.01 0.00 0.00 42.46 39.50 2tss s ILE 193 CO 0.01 0.51 1.04 0.59 0.00 0.00 0.00 174.94 177.09