#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g0s n LEU 2 N 0.00 5.52 -4.80 3.17 4.77 -1.26 -4.98 117.00 119.43 1g0s n LEU 2 Ca 0.00 1.00 -0.34 0.00 -0.03 0.00 0.00 56.01 56.64 1g0s n LEU 2 Cb 0.00 -1.58 -0.03 0.00 -2.33 0.00 0.00 43.42 39.47 1g0s n LEU 2 CO 0.00 -0.52 0.71 -0.54 -1.33 0.00 0.00 177.39 175.71 1g0s s LYS 3 N -2.84 3.81 0.83 3.23 1.02 -1.26 -5.01 119.74 119.51 1g0s s LYS 3 Ca 0.70 1.30 -0.11 0.00 0.02 0.00 0.00 55.97 57.88 1g0s s LYS 3 Cb -0.42 -2.10 0.09 0.00 -0.52 0.00 0.00 37.83 34.88 1g0s s LYS 3 CO 0.50 -0.42 1.14 -2.14 -0.92 0.00 0.00 175.35 173.51 1g0s s PRO 4 N -3.34 1.67 0.62 -1.68 0.02 -1.26 -4.99 135.00 126.04 1g0s s PRO 4 Ca 0.66 1.48 -0.17 0.00 0.02 0.00 0.00 61.00 62.99 1g0s s PRO 4 Cb -0.15 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 1g0s s PRO 4 CO 0.21 -2.13 1.12 -0.51 -0.33 0.00 0.00 177.00 175.36 1g0s s ASP 5 N -2.74 5.30 0.27 2.53 1.01 -1.26 -5.00 116.67 116.77 1g0s s ASP 5 Ca 0.67 2.08 -0.29 0.00 0.71 0.00 0.00 52.55 55.71 1g0s s ASP 5 Cb -0.22 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.05 1g0s s ASP 5 CO 0.54 -1.50 0.96 0.20 0.21 0.00 0.00 175.17 175.58 1g0s s ASN 6 N -2.28 7.51 -0.02 0.27 0.01 -1.26 -5.06 114.94 114.12 1g0s s ASN 6 Ca 0.69 1.96 0.01 0.00 -0.71 0.00 0.00 52.86 54.82 1g0s s ASN 6 Cb -0.22 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 38.84 1g0s s ASN 6 CO 0.36 0.06 -0.04 -0.76 -1.51 0.00 0.00 177.10 175.21 1g0s s LEU 7 N -1.45 1.69 0.00 0.60 1.43 -1.26 -5.01 118.68 114.69 1g0s s LEU 7 Ca 0.44 -0.08 0.21 0.00 -1.03 0.00 0.00 54.13 53.66 1g0s s LEU 7 Cb -0.25 -0.28 1.04 0.00 0.03 0.00 0.00 46.19 46.73 1g0s s LEU 7 CO 0.31 0.00 1.70 -0.81 0.23 0.00 0.00 176.35 177.78 1g0s n PRO 8 N 3.43 1.26 -4.32 1.29 -0.04 -1.26 -4.82 135.00 130.55 1g0s n PRO 8 Ca -0.19 -0.38 -0.25 0.00 -0.04 0.00 0.00 63.50 62.64 1g0s n PRO 8 Cb 0.55 -1.34 -0.08 0.00 -0.04 0.00 0.00 33.50 32.58 1g0s n PRO 8 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1g0s s VAL 9 N -1.93 2.53 0.07 0.52 1.01 -1.26 -5.08 120.40 116.26 1g0s s VAL 9 Ca 0.31 -1.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.23 1g0s s VAL 9 Cb 0.15 -2.85 -0.24 0.00 0.00 0.00 0.00 36.38 33.43 1g0s s VAL 9 CO 0.24 -0.15 1.18 0.74 0.00 0.00 0.00 175.10 177.12 1g0s h THR 10 N 1.73 1.28 -3.16 3.92 2.02 -2.05 -3.47 112.91 113.18 1g0s h THR 10 Ca -0.43 -2.29 -0.60 0.00 0.77 0.00 0.00 66.41 63.86 1g0s h THR 10 Cb 1.25 2.44 -0.18 0.00 -1.74 0.00 0.00 68.15 69.92 1g0s h THR 10 CO 0.68 0.71 -0.80 -0.36 0.37 0.00 0.00 175.52 176.12 1g0s s PHE 11 N -3.26 2.11 0.00 3.16 0.40 -1.26 -5.13 117.98 114.01 1g0s s PHE 11 Ca -0.10 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1g0s s PHE 11 Cb 0.07 -1.04 0.00 0.00 0.51 0.00 0.00 43.02 42.56 1g0s s PHE 11 CO 0.92 0.45 0.00 0.41 0.70 0.00 0.00 175.22 177.70 1g0s n GLY 12 N 0.21 4.32 0.31 4.36 0.00 -1.26 -4.99 105.19 108.14 1g0s n GLY 12 Ca -0.12 -2.19 0.16 0.00 0.00 0.00 0.00 46.02 43.86 1g0s n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g0s h LYS 13 N 0.00 0.00 0.00 1.61 1.57 -2.01 -0.85 116.57 116.89 1g0s h LYS 13 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1g0s h LYS 13 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1g0s h LYS 13 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 1g0s n ASN 14 N -3.79 0.00 -1.04 0.86 3.02 -1.26 -3.06 115.26 109.99 1g0s n ASN 14 Ca -0.02 0.36 0.12 0.00 -0.03 0.00 0.00 54.58 55.00 1g0s n ASN 14 Cb 0.15 -0.44 0.24 0.00 -0.61 0.00 0.00 39.78 39.11 1g0s n ASN 14 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1g0s n ASP 15 N -1.44 3.11 -4.01 6.41 8.00 -0.32 -4.88 116.55 123.42 1g0s n ASP 15 Ca 0.07 -1.95 -0.15 0.00 0.71 0.00 0.00 54.79 53.48 1g0s n ASP 15 Cb 0.24 -0.22 -0.13 0.00 -0.02 0.00 0.00 41.12 40.99 1g0s n ASP 15 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1g0s s VAL 16 N -1.56 0.50 -0.11 2.53 0.11 -1.17 -0.62 120.40 120.08 1g0s s VAL 16 Ca 0.37 -0.63 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 1g0s s VAL 16 Cb 0.22 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.59 1g0s s VAL 16 CO 0.31 -0.10 -0.14 -1.83 -3.33 0.00 0.00 175.10 170.00 1g0s s GLU 17 N -0.79 2.06 -0.33 1.54 -1.05 0.23 -4.96 118.70 115.39 1g0s s GLU 17 Ca -0.03 -0.50 -0.19 0.00 -0.15 0.00 0.00 54.97 54.10 1g0s s GLU 17 Cb -0.06 -1.79 -0.01 0.00 -0.44 0.00 0.00 34.13 31.83 1g0s s GLU 17 CO 0.00 -0.08 0.57 0.42 0.95 0.00 0.00 175.26 177.11 1g0s s ILE 18 N 1.06 4.97 0.06 1.83 1.01 -1.26 -1.49 121.20 127.38 1g0s s ILE 18 Ca -0.06 0.56 -0.19 0.00 0.00 0.00 0.00 60.65 60.96 1g0s s ILE 18 Cb -0.15 -3.98 -0.11 0.00 0.01 0.00 0.00 42.46 38.23 1g0s s ILE 18 CO -0.02 -0.19 1.44 0.40 0.00 0.00 0.00 174.94 176.57 1g0s h ILE 19 N 5.59 1.30 0.00 2.92 2.04 -0.98 -3.49 117.51 124.89 1g0s h ILE 19 Ca -0.27 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1g0s h ILE 19 Cb 1.12 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1g0s h ILE 19 CO 0.79 0.33 0.00 0.00 0.00 0.00 0.00 178.15 179.27 1g0s n ALA 20 N -2.38 0.00 -3.15 1.87 0.00 -1.16 -5.02 120.51 110.67 1g0s n ALA 20 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 1g0s n ALA 20 Cb 0.30 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.58 1g0s n ALA 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1g0s s ARG 21 N -2.00 2.38 -0.07 0.00 0.52 -1.26 -1.45 118.95 117.07 1g0s s ARG 21 Ca 0.00 -0.71 0.05 0.00 -0.52 0.00 0.00 55.73 54.55 1g0s s ARG 21 Cb 0.00 -1.90 -0.01 0.00 0.52 0.00 0.00 34.95 33.56 1g0s s ARG 21 CO 0.00 0.18 -0.23 -1.21 0.02 0.00 0.00 175.30 174.07 1g0s s GLU 22 N 0.29 2.72 -0.06 3.54 2.02 -0.58 -4.92 118.70 121.70 1g0s s GLU 22 Ca -0.13 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 53.71 1g0s s GLU 22 Cb -0.16 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 1g0s s GLU 22 CO 0.06 0.35 1.08 0.99 0.02 0.00 0.00 175.26 177.76 1g0s s THR 23 N -0.08 4.56 -0.13 3.63 2.01 -1.26 0.14 115.64 124.51 1g0s s THR 23 Ca -0.05 1.85 -0.04 0.00 0.31 0.00 0.00 61.69 63.75 1g0s s THR 23 Cb -0.14 -4.19 -0.25 0.00 0.01 0.00 0.00 72.50 67.93 1g0s s THR 23 CO 0.04 0.03 0.31 0.18 -0.69 0.00 0.00 174.62 174.50 1g0s n LEU 24 N 4.82 2.56 -3.71 4.42 4.77 0.15 -4.93 117.00 125.07 1g0s n LEU 24 Ca 0.09 0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 1g0s n LEU 24 Cb 0.48 -1.01 -0.10 0.00 -2.33 0.00 0.00 43.42 40.46 1g0s n LEU 24 CO 0.53 0.84 0.08 -0.47 -1.33 0.00 0.00 177.39 177.04 1g0s s TYR 25 N -2.56 -0.54 -0.16 -1.77 5.04 -0.95 -4.98 117.35 111.43 1g0s s TYR 25 Ca -0.23 1.23 0.01 0.00 -2.44 0.00 0.00 57.07 55.64 1g0s s TYR 25 Cb 0.07 0.22 0.01 0.00 0.35 0.00 0.00 41.96 42.61 1g0s s TYR 25 CO 0.75 -0.29 -0.19 0.50 -1.34 0.00 0.00 175.55 174.98 1g0s s ARG 26 N 0.79 3.05 0.00 4.97 3.52 -1.26 -1.67 118.95 128.36 1g0s s ARG 26 Ca -0.05 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 54.74 1g0s s ARG 26 Cb -0.05 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.79 1g0s s ARG 26 CO -0.06 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 1g0s n GLY 27 N 4.33 5.30 0.19 8.12 0.00 -1.26 -4.98 105.19 116.88 1g0s n GLY 27 Ca -0.20 -1.06 0.06 0.00 0.00 0.00 0.00 46.02 44.82 1g0s n GLY 27 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1g0s h PHE 28 N 0.00 0.00 -3.43 1.61 -5.15 -1.98 -3.42 116.94 104.57 1g0s h PHE 28 Ca 0.00 0.00 -0.66 0.00 -0.20 0.00 0.00 57.97 57.11 1g0s h PHE 28 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 35.95 36.02 1g0s h PHE 28 CO 0.00 0.36 -0.73 -0.06 -2.00 0.00 0.00 178.31 175.88 1g0s s PHE 29 N -3.41 2.75 0.21 6.09 2.99 -1.26 -4.98 117.98 120.37 1g0s s PHE 29 Ca 0.02 -0.15 0.07 0.00 0.00 0.00 0.00 56.93 56.86 1g0s s PHE 29 Cb 0.10 -1.42 -0.05 0.00 0.00 0.00 0.00 43.02 41.65 1g0s s PHE 29 CO 0.69 0.45 -0.12 -1.12 -0.00 0.00 0.00 175.22 175.12 1g0s s SER 30 N -2.35 2.45 -0.16 1.36 0.01 -0.55 -4.64 113.70 109.82 1g0s s SER 30 Ca 0.23 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.44 1g0s s SER 30 Cb -0.11 -0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.03 1g0s s SER 30 CO 0.15 -0.24 -0.14 -0.22 0.41 0.00 0.00 173.24 173.20 1g0s s LEU 31 N -3.31 1.83 0.28 2.44 2.96 -0.67 -0.51 118.68 121.70 1g0s s LEU 31 Ca 0.23 -0.57 0.10 0.00 -0.22 0.00 0.00 54.13 53.67 1g0s s LEU 31 Cb 0.01 -1.21 -0.05 0.00 0.50 0.00 0.00 46.19 45.44 1g0s s LEU 31 CO 0.07 -0.07 -0.08 -1.81 -1.32 0.00 0.00 176.35 173.15 1g0s s ASP 32 N 1.45 4.16 -0.26 3.68 -0.00 -0.04 0.29 116.67 125.95 1g0s s ASP 32 Ca 0.04 -0.82 -0.01 0.00 -0.00 0.00 0.00 52.55 51.76 1g0s s ASP 32 Cb -0.13 -0.61 0.04 0.00 -0.00 0.00 0.00 42.92 42.21 1g0s s ASP 32 CO -0.10 -0.01 -0.05 -0.22 -0.00 0.00 0.00 175.17 174.79 1g0s s LEU 33 N -3.62 3.39 0.00 1.23 2.96 0.12 0.77 118.68 123.54 1g0s s LEU 33 Ca 0.31 -1.04 -0.20 0.00 -0.22 0.00 0.00 54.13 52.98 1g0s s LEU 33 Cb -0.05 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 1g0s s LEU 33 CO 0.18 -0.17 0.59 -0.31 -1.32 0.00 0.00 176.35 175.32 1g0s s TYR 34 N 1.28 3.69 -0.13 5.38 4.12 0.88 -1.52 117.35 131.04 1g0s s TYR 34 Ca -0.02 1.21 0.03 0.00 0.02 0.00 0.00 57.07 58.30 1g0s s TYR 34 Cb -0.18 -2.60 0.01 0.00 -1.52 0.00 0.00 41.96 37.67 1g0s s TYR 34 CO -0.04 0.37 -0.22 1.03 0.02 0.00 0.00 175.55 176.71 1g0s s ARG 35 N -0.26 2.98 0.29 -0.62 0.52 -0.53 -1.43 118.95 119.90 1g0s s ARG 35 Ca 0.31 -0.84 -0.17 0.00 -0.52 0.00 0.00 55.73 54.50 1g0s s ARG 35 Cb -0.18 -2.38 0.02 0.00 0.52 0.00 0.00 34.95 32.92 1g0s s ARG 35 CO 0.17 0.02 0.65 -0.59 0.02 0.00 0.00 175.30 175.58 1g0s s PHE 36 N 0.73 0.06 0.04 -0.53 -0.12 -0.46 -0.26 117.98 117.45 1g0s s PHE 36 Ca -0.09 -0.52 0.03 0.00 -0.05 0.00 0.00 56.93 56.31 1g0s s PHE 36 Cb -0.16 0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 42.76 1g0s s PHE 36 CO 0.00 -1.22 -0.10 1.03 -0.05 0.00 0.00 175.22 174.88 1g0s s ARG 37 N -3.68 0.69 0.05 1.99 0.52 -0.56 0.24 118.95 118.21 1g0s s ARG 37 Ca 0.16 -0.70 -0.11 0.00 -0.52 0.00 0.00 55.73 54.56 1g0s s ARG 37 Cb -0.04 -0.61 0.01 0.00 0.52 0.00 0.00 34.95 34.83 1g0s s ARG 37 CO 0.09 0.14 0.24 -3.38 0.02 0.00 0.00 175.30 172.41 1g0s s HIS 38 N -0.98 0.01 0.47 -0.53 -3.43 -1.26 -0.61 115.29 108.96 1g0s s HIS 38 Ca -0.03 -0.24 -0.24 0.00 -0.80 0.00 0.00 55.06 53.75 1g0s s HIS 38 Cb -0.08 0.02 -0.07 0.00 -1.43 0.00 0.00 32.58 31.02 1g0s s HIS 38 CO 0.01 -0.49 1.34 1.03 -2.00 0.00 0.00 174.74 174.63 1g0s s ARG 39 N -2.86 3.59 0.18 -0.38 0.52 0.21 -1.83 118.95 118.38 1g0s s ARG 39 Ca -0.03 2.20 0.04 0.00 -0.52 0.00 0.00 55.73 57.43 1g0s s ARG 39 Cb 0.00 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 1g0s s ARG 39 CO -0.05 -0.82 0.23 -0.51 0.02 0.00 0.00 175.30 174.17 1g0s s LEU 40 N -2.96 4.09 0.60 2.53 1.43 0.11 -4.86 118.68 119.62 1g0s s LEU 40 Ca 0.64 -0.00 0.33 0.00 -1.03 0.00 0.00 54.13 54.07 1g0s s LEU 40 Cb -0.39 -2.66 1.93 0.00 0.03 0.00 0.00 46.19 45.10 1g0s s LEU 40 CO 0.49 0.03 2.26 -0.26 0.23 0.00 0.00 176.35 179.09 1g0s h PHE 41 N 2.00 0.00 -0.05 0.29 -1.00 -1.95 -1.02 116.94 115.21 1g0s h PHE 41 Ca -0.49 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.29 1g0s h PHE 41 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 1g0s h PHE 41 CO 0.54 0.02 0.00 0.27 -1.61 0.00 0.00 178.31 177.52 1g0s n ASN 42 N -3.61 0.35 0.00 2.17 2.04 -1.26 -4.85 115.26 110.10 1g0s n ASN 42 Ca -0.03 -2.00 0.00 0.00 -0.44 0.00 0.00 54.58 52.11 1g0s n ASN 42 Cb 0.10 -0.07 0.00 0.00 -2.53 0.00 0.00 39.78 37.29 1g0s n ASN 42 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1g0s n GLY 43 N 0.55 0.78 3.88 4.83 0.00 -0.38 -5.05 105.19 109.79 1g0s n GLY 43 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1g0s n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g0s s GLN 44 N -0.31 3.03 0.04 1.61 -0.21 -1.25 -4.87 119.66 117.70 1g0s s GLN 44 Ca 0.00 -1.02 -0.16 0.00 0.02 0.00 0.00 55.36 54.19 1g0s s GLN 44 Cb 0.00 -2.64 -0.06 0.00 1.00 0.00 0.00 33.01 31.30 1g0s s GLN 44 CO 0.00 0.33 0.48 1.41 -2.12 0.00 0.00 175.29 175.39 1g0s s MET 45 N -3.92 4.03 1.08 2.91 -2.45 -1.26 0.08 119.30 119.77 1g0s s MET 45 Ca 0.35 0.54 -0.18 0.00 -1.25 0.00 0.00 55.69 55.15 1g0s s MET 45 Cb -0.08 -3.21 0.25 0.00 1.25 0.00 0.00 34.83 33.05 1g0s s MET 45 CO 0.27 0.66 1.26 -1.54 1.05 0.00 0.00 175.02 176.72 1g0s s SER 46 N -1.14 2.01 0.73 1.11 1.04 -0.76 -4.89 113.70 111.80 1g0s s SER 46 Ca 0.27 0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.97 1g0s s SER 46 Cb -0.18 -0.33 0.12 0.00 0.10 0.00 0.00 66.02 65.73 1g0s s SER 46 CO 0.16 -3.42 1.01 -1.00 0.98 0.00 0.00 173.24 170.97 1g0s s HIS 47 N -3.61 1.87 0.47 5.02 3.76 -1.26 -4.71 115.29 116.82 1g0s s HIS 47 Ca 0.75 -0.10 -0.24 0.00 -0.15 0.00 0.00 55.06 55.32 1g0s s HIS 47 Cb -0.04 -3.12 -0.07 0.00 1.11 0.00 0.00 32.58 30.45 1g0s s HIS 47 CO 0.54 -1.70 1.30 -2.00 -0.85 0.00 0.00 174.74 172.03 1g0s s GLU 48 N -5.20 3.63 -0.01 1.40 2.12 -1.26 -4.60 118.70 114.78 1g0s s GLU 48 Ca 0.66 2.11 0.07 0.00 0.36 0.00 0.00 54.97 58.16 1g0s s GLU 48 Cb -0.06 -2.50 -0.02 0.00 0.26 0.00 0.00 34.13 31.81 1g0s s GLU 48 CO 0.45 -0.76 -0.23 0.08 -0.54 0.00 0.00 175.26 174.26 1g0s s VAL 49 N -1.34 1.80 -0.14 3.70 1.01 0.14 -4.94 120.40 120.62 1g0s s VAL 49 Ca 0.64 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1g0s s VAL 49 Cb -0.37 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1g0s s VAL 49 CO 0.46 0.47 -0.19 -0.13 0.00 0.00 0.00 175.10 175.71 1g0s s ARG 50 N -0.64 2.69 -0.02 2.72 0.52 -1.26 -1.35 118.95 121.61 1g0s s ARG 50 Ca 0.09 -0.72 0.03 0.00 -0.52 0.00 0.00 55.73 54.61 1g0s s ARG 50 Cb -0.09 -2.27 -0.00 0.00 0.52 0.00 0.00 34.95 33.11 1g0s s ARG 50 CO -0.00 -0.11 -0.12 1.03 0.02 0.00 0.00 175.30 176.12 1g0s s ARG 51 N 1.08 1.07 -0.18 3.54 3.00 -0.52 -4.97 118.95 121.97 1g0s s ARG 51 Ca -0.02 -0.41 -0.18 0.00 0.00 0.00 0.00 55.73 55.11 1g0s s ARG 51 Cb -0.14 -1.00 -0.03 0.00 0.00 0.00 0.00 34.95 33.77 1g0s s ARG 51 CO -0.06 0.21 0.51 -1.21 0.00 0.00 0.00 175.30 174.76 1g0s s GLU 52 N -0.09 4.22 -0.11 3.54 2.02 -1.26 -0.09 118.70 126.94 1g0s s GLU 52 Ca 0.01 0.43 0.03 0.00 0.02 0.00 0.00 54.97 55.46 1g0s s GLU 52 Cb -0.07 -3.54 0.01 0.00 0.10 0.00 0.00 34.13 30.64 1g0s s GLU 52 CO 0.00 -0.09 -0.20 0.42 0.02 0.00 0.00 175.26 175.41 1g0s s ILE 53 N 1.43 1.83 -0.32 -1.63 -1.09 0.23 -4.80 121.20 116.85 1g0s s ILE 53 Ca 0.25 -0.86 -0.28 0.00 -2.23 0.00 0.00 60.65 57.53 1g0s s ILE 53 Cb -0.15 -1.62 0.01 0.00 -1.58 0.00 0.00 42.46 39.12 1g0s s ILE 53 CO 0.10 0.51 1.00 0.12 -1.23 0.00 0.00 174.94 175.44 1g0s s PHE 54 N 0.71 3.15 -0.38 3.97 5.36 0.01 -0.86 117.98 129.94 1g0s s PHE 54 Ca -0.11 1.07 -0.13 0.00 -0.96 0.00 0.00 56.93 56.80 1g0s s PHE 54 Cb -0.16 -3.60 0.01 0.00 -0.34 0.00 0.00 43.02 38.93 1g0s s PHE 54 CO 0.02 -0.74 0.25 -1.21 -1.46 0.00 0.00 175.22 172.08 1g0s s GLU 55 N 3.50 3.04 -0.03 10.12 0.41 0.34 -2.50 118.70 133.58 1g0s s GLU 55 Ca 0.42 -0.96 0.04 0.00 -0.41 0.00 0.00 54.97 54.07 1g0s s GLU 55 Cb -0.12 -3.84 0.07 0.00 -1.78 0.00 0.00 34.13 28.46 1g0s s GLU 55 CO 0.15 -0.66 1.01 2.89 -0.49 0.00 0.00 175.26 178.17 1g0s n ARG 56 N 5.08 0.35 0.00 1.61 1.85 -1.26 -1.48 116.66 122.81 1g0s n ARG 56 Ca -0.12 -1.36 0.00 0.00 -1.00 0.00 0.00 57.85 55.37 1g0s n ARG 56 Cb 0.47 -0.74 0.00 0.00 -1.05 0.00 0.00 32.46 31.14 1g0s n ARG 56 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1g0s n GLY 57 N -0.35 -1.94 3.24 2.89 0.00 -1.26 -4.98 105.19 102.78 1g0s n GLY 57 Ca 0.04 -1.48 -0.16 0.00 0.00 0.00 0.00 46.02 44.42 1g0s n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g0s s HIS 58 N 0.00 1.30 0.23 1.61 0.09 -1.26 -4.21 115.29 113.05 1g0s s HIS 58 Ca 0.00 -0.67 0.08 0.00 -0.00 0.00 0.00 55.06 54.48 1g0s s HIS 58 Cb 0.00 -0.67 -0.05 0.00 -0.00 0.00 0.00 32.58 31.86 1g0s s HIS 58 CO 0.00 0.11 -0.14 0.00 -0.00 0.00 0.00 174.74 174.71 1g0s s ALA 59 N -2.80 2.17 -0.08 -1.40 0.00 -0.15 -0.76 121.76 118.75 1g0s s ALA 59 Ca 0.13 -1.73 0.02 0.00 0.00 0.00 0.00 51.96 50.38 1g0s s ALA 59 Cb -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1g0s s ALA 59 CO 0.02 0.08 -0.13 0.00 0.00 0.00 0.00 175.76 175.72 1g0s s ALA 60 N -2.91 2.68 -0.03 0.00 0.00 0.28 -1.08 121.76 120.71 1g0s s ALA 60 Ca 0.25 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.32 1g0s s ALA 60 Cb -0.01 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 1g0s s ALA 60 CO 0.09 0.46 -0.19 0.08 0.00 0.00 0.00 175.76 176.20 1g0s s VAL 61 N -0.40 1.50 -0.12 0.00 1.01 0.69 -1.76 120.40 121.33 1g0s s VAL 61 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1g0s s VAL 61 Cb -0.12 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.02 1g0s s VAL 61 CO 0.02 0.43 -0.10 -0.22 0.00 0.00 0.00 175.10 175.22 1g0s s LEU 62 N -0.28 1.40 -0.46 3.92 2.96 0.40 -1.04 118.68 125.58 1g0s s LEU 62 Ca 0.03 -0.36 -0.20 0.00 -0.22 0.00 0.00 54.13 53.38 1g0s s LEU 62 Cb -0.09 -0.95 0.03 0.00 0.50 0.00 0.00 46.19 45.69 1g0s s LEU 62 CO 0.00 -0.08 0.64 -0.22 -1.32 0.00 0.00 176.35 175.37 1g0s s LEU 63 N 1.49 4.62 -0.45 -0.68 2.96 -0.38 -2.26 118.68 123.98 1g0s s LEU 63 Ca 0.02 -0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 53.14 1g0s s LEU 63 Cb -0.13 -2.64 0.03 0.00 0.50 0.00 0.00 46.19 43.95 1g0s s LEU 63 CO -0.07 -0.81 1.14 -2.84 -1.32 0.00 0.00 176.35 172.44 1g0s s PRO 64 N 2.78 3.78 -0.09 0.98 0.02 -1.26 -0.98 135.00 140.23 1g0s s PRO 64 Ca 0.20 0.67 0.04 0.00 0.02 0.00 0.00 61.00 61.93 1g0s s PRO 64 Cb -0.15 -3.88 0.00 0.00 0.02 0.00 0.00 34.50 30.49 1g0s s PRO 64 CO 0.17 -1.30 -0.22 0.12 -0.33 0.00 0.00 177.00 175.44 1g0s s PHE 65 N 4.35 2.33 -0.47 6.54 5.36 -0.18 -2.05 117.98 133.86 1g0s s PHE 65 Ca 0.48 -0.95 -0.11 0.00 -0.96 0.00 0.00 56.93 55.40 1g0s s PHE 65 Cb -0.08 -1.58 0.11 0.00 -0.34 0.00 0.00 43.02 41.13 1g0s s PHE 65 CO 0.29 -0.39 0.36 0.34 -1.46 0.00 0.00 175.22 174.36 1g0s s ASP 66 N 0.41 5.80 0.37 6.13 -1.08 -0.12 -1.44 116.67 126.74 1g0s s ASP 66 Ca -0.18 -1.79 0.14 0.00 -0.52 0.00 0.00 52.55 50.20 1g0s s ASP 66 Cb -0.18 -2.05 0.72 0.00 -1.46 0.00 0.00 42.92 39.95 1g0s s ASP 66 CO 0.08 -0.69 1.81 1.55 0.52 0.00 0.00 175.17 178.43 1g0s h PRO 67 N 8.54 0.00 -0.01 4.34 0.13 -1.84 0.38 132.00 143.54 1g0s h PRO 67 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1g0s h PRO 67 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1g0s h PRO 67 CO 0.88 0.38 -0.05 0.28 -0.23 0.00 0.00 178.00 179.26 1g0s h VAL 68 N 0.00 1.56 -0.00 1.56 2.07 -1.93 -3.21 116.25 116.31 1g0s h VAL 68 Ca -0.00 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.79 1g0s h VAL 68 Cb 0.70 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1g0s h VAL 68 CO 0.05 0.45 -0.14 0.54 0.02 0.00 0.00 177.57 178.50 1g0s n ARG 69 N -4.69 0.55 -3.66 1.57 1.74 -1.22 -4.94 116.66 106.01 1g0s n ARG 69 Ca -0.09 -0.19 -0.24 0.00 -0.77 0.00 0.00 57.85 56.56 1g0s n ARG 69 Cb 0.38 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.36 1g0s n ARG 69 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1g0s n ASP 70 N -1.06 -3.08 -4.36 0.55 2.03 0.12 -4.92 116.55 105.83 1g0s n ASP 70 Ca 0.13 -0.89 -0.19 0.00 0.52 0.00 0.00 54.79 54.36 1g0s n ASP 70 Cb 0.29 -3.90 -0.10 0.00 -0.72 0.00 0.00 41.12 36.69 1g0s n ASP 70 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1g0s s GLU 71 N -5.83 1.38 0.10 -0.67 2.02 -0.61 -1.87 118.70 113.22 1g0s s GLU 71 Ca 0.21 -1.65 0.08 0.00 0.02 0.00 0.00 54.97 53.62 1g0s s GLU 71 Cb -0.06 -1.03 -0.03 0.00 0.10 0.00 0.00 34.13 33.11 1g0s s GLU 71 CO 0.83 0.09 -0.19 0.08 0.02 0.00 0.00 175.26 176.09 1g0s s VAL 72 N -3.07 1.59 -0.23 2.63 1.01 -0.06 -0.94 120.40 121.33 1g0s s VAL 72 Ca 0.25 -1.52 -0.03 0.00 0.00 0.00 0.00 61.98 60.68 1g0s s VAL 72 Cb 0.02 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1g0s s VAL 72 CO 0.08 -0.11 -0.05 -0.69 0.00 0.00 0.00 175.10 174.33 1g0s s VAL 73 N -1.25 3.14 0.16 2.92 1.01 -0.87 -1.97 120.40 123.54 1g0s s VAL 73 Ca 0.05 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.36 1g0s s VAL 73 Cb -0.10 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1g0s s VAL 73 CO 0.04 0.33 0.10 -0.76 0.00 0.00 0.00 175.10 174.81 1g0s s LEU 74 N 1.41 3.68 -0.01 3.92 1.43 0.13 -4.44 118.68 124.81 1g0s s LEU 74 Ca 0.04 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.02 1g0s s LEU 74 Cb -0.15 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 1g0s s LEU 74 CO -0.04 0.08 -0.21 0.27 0.23 0.00 0.00 176.35 176.69 1g0s s ILE 75 N -1.70 2.54 -0.13 -0.59 -4.36 -0.58 0.15 121.20 116.52 1g0s s ILE 75 Ca 0.30 -1.02 -0.01 0.00 -0.26 0.00 0.00 60.65 59.66 1g0s s ILE 75 Cb -0.10 -1.97 -0.02 0.00 1.25 0.00 0.00 42.46 41.62 1g0s s ILE 75 CO 0.22 0.52 -0.10 -0.70 0.24 0.00 0.00 174.94 175.12 1g0s s GLU 76 N -0.86 3.37 0.01 0.37 2.12 0.15 -0.23 118.70 123.63 1g0s s GLU 76 Ca 0.11 -0.63 -0.28 0.00 0.36 0.00 0.00 54.97 54.54 1g0s s GLU 76 Cb -0.10 -2.70 0.08 0.00 0.26 0.00 0.00 34.13 31.67 1g0s s GLU 76 CO 0.01 0.28 0.71 1.14 -0.54 0.00 0.00 175.26 176.86 1g0s s GLN 77 N 0.20 1.06 0.27 4.30 -2.07 -0.93 -1.52 119.66 120.96 1g0s s GLN 77 Ca -0.06 -0.04 -0.29 0.00 -1.82 0.00 0.00 55.36 53.15 1g0s s GLN 77 Cb -0.15 0.49 -0.09 0.00 -1.09 0.00 0.00 33.01 32.17 1g0s s GLN 77 CO 0.04 -0.39 1.12 -1.50 -1.32 0.00 0.00 175.29 173.25 1g0s s ILE 78 N -2.17 3.46 -0.37 3.63 2.07 -1.26 -1.40 121.20 125.15 1g0s s ILE 78 Ca -0.05 1.43 0.01 0.00 -1.41 0.00 0.00 60.65 60.63 1g0s s ILE 78 Cb -0.00 -3.91 0.12 0.00 0.13 0.00 0.00 42.46 38.80 1g0s s ILE 78 CO 0.00 0.32 0.18 -0.13 -1.91 0.00 0.00 174.94 173.40 1g0s s ARG 79 N -1.28 0.94 0.53 3.50 1.81 0.86 -4.93 118.95 120.39 1g0s s ARG 79 Ca 0.46 -1.53 0.27 0.00 -1.72 0.00 0.00 55.73 53.21 1g0s s ARG 79 Cb -0.32 -2.03 1.42 0.00 -0.45 0.00 0.00 34.95 33.57 1g0s s ARG 79 CO 0.41 -1.10 1.96 0.97 -0.68 0.00 0.00 175.30 176.86 1g0s h ILE 80 N 5.70 0.68 0.00 1.52 6.09 -1.95 -0.52 117.51 129.02 1g0s h ILE 80 Ca -0.05 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 1g0s h ILE 80 Cb 0.97 0.67 0.00 0.00 0.47 0.00 0.00 36.82 38.93 1g0s h ILE 80 CO 0.44 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.52 1g0s h ALA 81 N 1.67 1.00 0.00 0.18 0.00 -1.95 -1.39 119.26 118.78 1g0s h ALA 81 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1g0s h ALA 81 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1g0s h ALA 81 CO -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.04 1g0s n ALA 82 N -1.85 2.67 -0.11 0.00 0.00 -0.20 -4.35 120.51 116.67 1g0s n ALA 82 Ca -0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 1g0s n ALA 82 Cb 0.14 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 1g0s n ALA 82 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1g0s h TYR 83 N 0.00 -0.85 0.00 0.00 3.20 -1.38 -2.13 116.97 115.81 1g0s h TYR 83 Ca 0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1g0s h TYR 83 Cb 0.59 0.43 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1g0s h TYR 83 CO 0.00 -0.37 0.00 -0.44 -1.64 0.00 0.00 178.16 175.71 1g0s h ASP 84 N -0.24 0.00 0.00 -2.11 3.32 -1.80 -3.24 116.42 112.34 1g0s h ASP 84 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1g0s h ASP 84 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1g0s h ASP 84 CO -0.52 0.00 -0.19 0.35 -1.72 0.00 0.00 179.24 177.15 1g0s n THR 85 N -2.55 0.93 -4.05 0.35 -2.24 -1.06 -5.07 114.28 100.59 1g0s n THR 85 Ca 0.00 -1.10 -0.09 0.00 -2.27 0.00 0.00 64.05 60.60 1g0s n THR 85 Cb 0.18 0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.51 1g0s n THR 85 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1g0s s SER 86 N -1.76 0.47 0.20 3.42 0.01 -0.83 -5.05 113.70 110.17 1g0s s SER 86 Ca 0.14 -0.76 -0.08 0.00 1.31 0.00 0.00 55.95 56.56 1g0s s SER 86 Cb 0.12 0.14 0.14 0.00 0.21 0.00 0.00 66.02 66.63 1g0s s SER 86 CO 0.01 -0.44 1.75 -0.33 0.41 0.00 0.00 173.24 174.65 1g0s h GLU 87 N 3.86 1.15 -4.30 12.44 5.08 -1.87 -3.44 114.58 127.49 1g0s h GLU 87 Ca -0.33 -0.23 -0.29 0.00 -1.00 0.00 0.00 59.36 57.51 1g0s h GLU 87 Cb 1.18 -0.17 -0.26 0.00 0.50 0.00 0.00 28.75 29.99 1g0s h GLU 87 CO 0.54 0.96 -0.74 -0.08 -1.00 0.00 0.00 179.01 178.68 1g0s s THR 88 N -5.47 0.39 -1.71 1.13 -1.32 -1.26 -5.04 115.64 102.35 1g0s s THR 88 Ca -0.12 -0.51 0.31 0.00 -1.21 0.00 0.00 61.69 60.16 1g0s s THR 88 Cb 0.15 -0.39 0.70 0.00 -1.51 0.00 0.00 72.50 71.45 1g0s s THR 88 CO 0.84 -0.09 2.12 -0.81 -2.21 0.00 0.00 174.62 174.47 1g0s n PRO 89 N 2.42 0.72 -2.94 7.08 -0.04 -1.26 -4.72 135.00 136.26 1g0s n PRO 89 Ca -0.16 -0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 62.86 1g0s n PRO 89 Cb 0.57 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 1g0s n PRO 89 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1g0s s TRP 90 N -2.30 3.33 0.16 0.54 0.51 -1.26 -0.09 118.94 119.82 1g0s s TRP 90 Ca 0.38 1.10 0.09 0.00 -2.12 0.00 0.00 56.10 55.55 1g0s s TRP 90 Cb 0.21 -3.00 -0.04 0.00 -0.81 0.00 0.00 33.47 29.83 1g0s s TRP 90 CO 0.42 -0.34 -0.16 -0.51 -0.51 0.00 0.00 176.95 175.85 1g0s s LEU 91 N 2.60 2.76 -0.23 2.99 1.02 -0.49 -4.91 118.68 122.41 1g0s s LEU 91 Ca 0.34 -0.63 -0.18 0.00 0.02 0.00 0.00 54.13 53.68 1g0s s LEU 91 Cb -0.16 -1.52 -0.03 0.00 0.02 0.00 0.00 46.19 44.51 1g0s s LEU 91 CO 0.09 0.14 0.51 -0.76 0.02 0.00 0.00 176.35 176.34 1g0s s LEU 92 N -2.51 4.10 0.37 1.79 1.02 -1.26 -2.19 118.68 119.99 1g0s s LEU 92 Ca 0.21 0.58 0.05 0.00 0.02 0.00 0.00 54.13 55.00 1g0s s LEU 92 Cb -0.09 -2.67 -0.03 0.00 0.02 0.00 0.00 46.19 43.42 1g0s s LEU 92 CO 0.12 -0.23 0.19 -1.61 0.02 0.00 0.00 176.35 174.84 1g0s s GLU 93 N 1.97 1.85 0.54 1.70 2.02 0.67 -4.75 118.70 122.70 1g0s s GLU 93 Ca 0.22 -2.11 -0.02 0.00 0.02 0.00 0.00 54.97 53.08 1g0s s GLU 93 Cb -0.15 -0.19 0.01 0.00 0.10 0.00 0.00 34.13 33.90 1g0s s GLU 93 CO 0.09 -0.56 0.80 -1.64 0.02 0.00 0.00 175.26 173.98 1g0s s MET 94 N -3.61 2.85 0.25 1.61 -1.94 -1.26 -1.52 119.30 115.68 1g0s s MET 94 Ca 0.31 -0.34 -0.30 0.00 -1.71 0.00 0.00 55.69 53.65 1g0s s MET 94 Cb 0.02 -2.41 -0.09 0.00 2.01 0.00 0.00 34.83 34.36 1g0s s MET 94 CO 0.20 -0.58 1.25 0.08 -0.01 0.00 0.00 175.02 175.96 1g0s s VAL 95 N -2.81 3.15 0.20 -6.03 1.01 -0.96 -4.78 120.40 110.19 1g0s s VAL 95 Ca 0.53 1.05 -0.19 0.00 0.00 0.00 0.00 61.98 63.37 1g0s s VAL 95 Cb -0.10 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1g0s s VAL 95 CO 0.41 0.21 0.57 0.00 0.00 0.00 0.00 175.10 176.29 1g0s s ALA 96 N -0.54 -1.10 -0.16 5.51 0.00 -1.26 -0.45 121.76 123.76 1g0s s ALA 96 Ca 0.51 -0.11 -0.34 0.00 0.00 0.00 0.00 51.96 52.03 1g0s s ALA 96 Cb -0.36 0.86 0.13 0.00 0.00 0.00 0.00 23.12 23.75 1g0s s ALA 96 CO 0.43 -0.84 1.16 0.20 0.00 0.00 0.00 175.76 176.71 1g0s s GLY 97 N -2.86 -0.30 0.35 0.00 0.00 -0.72 -4.94 107.32 98.84 1g0s s GLY 97 Ca 0.08 1.59 -0.26 0.00 0.00 0.00 0.00 44.72 46.13 1g0s s GLY 97 CO -0.03 0.55 1.05 -0.29 0.00 0.00 0.00 173.10 174.38 1g0s s MET 98 N -2.40 4.39 -0.17 2.90 1.75 -1.26 -0.55 119.30 123.96 1g0s s MET 98 Ca 0.08 1.58 -0.19 0.00 -1.25 0.00 0.00 55.69 55.91 1g0s s MET 98 Cb -0.01 -2.81 -0.03 0.00 2.84 0.00 0.00 34.83 34.82 1g0s s MET 98 CO -0.05 0.05 0.55 0.42 -0.65 0.00 0.00 175.02 175.34 1g0s s ILE 99 N -1.47 5.10 0.49 10.11 1.01 0.06 -4.82 121.20 131.67 1g0s s ILE 99 Ca 0.52 1.06 0.07 0.00 0.00 0.00 0.00 60.65 62.30 1g0s s ILE 99 Cb -0.25 -3.88 0.02 0.00 0.01 0.00 0.00 42.46 38.36 1g0s s ILE 99 CO 0.32 0.20 0.48 -1.61 0.00 0.00 0.00 174.94 174.32 1g0s s GLU 100 N 1.43 2.42 -0.29 2.79 8.01 -1.26 -4.66 118.70 127.14 1g0s s GLU 100 Ca 0.27 -1.69 -0.40 0.00 0.01 0.00 0.00 54.97 53.15 1g0s s GLU 100 Cb -0.16 -2.37 -0.16 0.00 -4.31 0.00 0.00 34.13 27.14 1g0s s GLU 100 CO 0.11 -0.47 1.74 -1.91 0.01 0.00 0.00 175.26 174.74 1g0s n GLU 101 N -1.78 1.11 -1.06 1.61 4.07 -1.26 -1.84 120.64 121.49 1g0s n GLU 101 Ca 0.05 0.41 -0.02 0.00 -0.06 0.00 0.00 57.16 57.53 1g0s n GLU 101 Cb 0.62 -2.08 -0.01 0.00 -0.06 0.00 0.00 31.44 29.91 1g0s n GLU 101 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1g0s n GLY 102 N 4.20 0.55 3.46 8.31 0.00 -1.26 -5.04 105.19 115.41 1g0s n GLY 102 Ca 0.27 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1g0s n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g0s s GLU 103 N -1.75 2.43 0.51 1.61 2.02 -0.77 -5.12 118.70 117.63 1g0s s GLU 103 Ca 0.00 -0.74 -0.03 0.00 0.02 0.00 0.00 54.97 54.22 1g0s s GLU 103 Cb 0.00 -2.33 -0.01 0.00 0.10 0.00 0.00 34.13 31.89 1g0s s GLU 103 CO 0.00 0.61 0.78 -1.54 0.02 0.00 0.00 175.26 175.13 1g0s s SER 104 N -0.78 5.84 0.27 -0.19 1.04 -1.26 -4.74 113.70 113.87 1g0s s SER 104 Ca 0.12 0.59 -0.04 0.00 0.48 0.00 0.00 55.95 57.10 1g0s s SER 104 Cb -0.11 -1.76 0.33 0.00 0.10 0.00 0.00 66.02 64.59 1g0s s SER 104 CO 0.01 -0.81 1.93 0.58 0.98 0.00 0.00 173.24 175.93 1g0s h VAL 105 N 0.14 1.24 -0.36 5.02 2.07 -1.97 -2.11 116.25 120.28 1g0s h VAL 105 Ca -0.46 -0.48 -0.12 0.00 0.82 0.00 0.00 66.70 66.46 1g0s h VAL 105 Cb 1.24 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1g0s h VAL 105 CO 0.60 0.24 -0.25 -0.08 0.02 0.00 0.00 177.57 178.10 1g0s h GLU 106 N 1.22 0.72 0.05 1.57 4.81 -1.97 -0.42 114.58 120.56 1g0s h GLU 106 Ca 0.32 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1g0s h GLU 106 Cb -0.09 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1g0s h GLU 106 CO -0.06 0.90 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.65 1g0s h ASP 107 N 0.63 -0.05 -0.17 1.04 3.32 -1.82 -1.16 116.42 118.20 1g0s h ASP 107 Ca 0.08 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1g0s h ASP 107 Cb 0.75 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 1g0s h ASP 107 CO 0.06 0.04 0.10 0.58 -1.72 0.00 0.00 179.24 178.30 1g0s h VAL 108 N -0.14 1.09 -0.62 -1.35 2.07 -1.30 -1.53 116.25 114.47 1g0s h VAL 108 Ca -0.01 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1g0s h VAL 108 Cb 0.12 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1g0s h VAL 108 CO 0.01 0.09 0.37 0.00 0.02 0.00 0.00 177.57 178.05 1g0s h ALA 109 N 1.00 0.81 -0.50 1.67 0.00 -1.00 0.62 119.26 121.85 1g0s h ALA 109 Ca 0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1g0s h ALA 109 Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1g0s h ALA 109 CO -0.01 0.09 -0.17 0.00 0.00 0.00 0.00 179.25 179.15 1g0s h ARG 110 N 0.71 0.99 -0.07 0.00 3.08 -1.08 -2.06 114.38 115.95 1g0s h ARG 110 Ca 0.26 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1g0s h ARG 110 Cb 0.07 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1g0s h ARG 110 CO -0.12 1.08 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.75 1g0s h ARG 111 N 0.87 0.13 -0.46 0.04 2.43 -0.91 -3.07 114.38 113.40 1g0s h ARG 111 Ca 0.12 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1g0s h ARG 111 Cb 0.74 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1g0s h ARG 111 CO 0.06 0.44 0.25 0.93 -1.51 0.00 0.00 179.97 180.14 1g0s h GLU 112 N -0.19 0.63 -0.23 0.20 4.39 -0.89 -1.84 114.58 116.65 1g0s h GLU 112 Ca 0.02 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1g0s h GLU 112 Cb 0.39 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1g0s h GLU 112 CO 0.01 0.48 -0.01 0.00 -1.16 0.00 0.00 179.01 178.33 1g0s h ALA 113 N 1.63 1.57 -0.00 3.43 0.00 -1.30 0.13 119.26 124.72 1g0s h ALA 113 Ca 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1g0s h ALA 113 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1g0s h ALA 113 CO -0.03 0.32 -0.10 0.82 0.00 0.00 0.00 179.25 180.26 1g0s h ILE 114 N 0.33 1.59 0.00 0.00 2.04 -1.27 0.39 117.51 120.59 1g0s h ILE 114 Ca 0.08 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.06 1g0s h ILE 114 Cb 0.23 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1g0s h ILE 114 CO 0.01 0.50 0.00 1.05 0.00 0.00 0.00 178.15 179.71 1g0s h GLU 115 N -0.66 0.00 0.04 2.37 4.11 -1.21 -1.44 114.58 117.78 1g0s h GLU 115 Ca -0.01 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.03 1g0s h GLU 115 Cb 0.87 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 1g0s h GLU 115 CO 0.02 0.00 -2.34 0.39 0.07 0.00 0.00 179.01 177.15 1g0s n GLU 116 N -3.05 0.68 0.00 1.06 1.02 0.44 -4.68 120.64 116.11 1g0s n GLU 116 Ca 0.04 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1g0s n GLU 116 Cb 0.50 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1g0s n GLU 116 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g0s n ALA 117 N -3.19 2.00 -3.89 0.62 0.00 -1.02 -4.82 120.51 110.21 1g0s n ALA 117 Ca -0.42 -0.88 -0.30 0.00 0.00 0.00 0.00 53.44 51.85 1g0s n ALA 117 Cb 1.01 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.48 1g0s n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g0s n GLY 118 N -0.38 -0.49 3.56 0.00 0.00 -0.54 -2.22 105.19 105.11 1g0s n GLY 118 Ca 0.00 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1g0s n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g0s s LEU 119 N -7.26 3.05 -0.38 0.99 1.43 0.08 -4.18 118.68 112.40 1g0s s LEU 119 Ca 0.63 -0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.54 1g0s s LEU 119 Cb -0.31 -1.69 0.06 0.00 0.03 0.00 0.00 46.19 44.28 1g0s s LEU 119 CO 0.82 0.33 0.20 -0.63 0.23 0.00 0.00 176.35 177.30 1g0s s ILE 120 N -0.85 4.10 0.27 -0.59 1.01 -1.26 -3.14 121.20 120.74 1g0s s ILE 120 Ca 0.14 -1.25 -0.30 0.00 0.00 0.00 0.00 60.65 59.24 1g0s s ILE 120 Cb -0.11 -3.42 -0.09 0.00 0.01 0.00 0.00 42.46 38.84 1g0s s ILE 120 CO 0.03 -0.36 1.07 -0.69 0.00 0.00 0.00 174.94 174.99 1g0s s VAL 121 N 1.43 3.59 0.00 2.92 1.01 -1.26 -4.73 120.40 123.35 1g0s s VAL 121 Ca 0.01 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1g0s s VAL 121 Cb -0.21 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1g0s s VAL 121 CO 0.03 0.38 0.00 0.29 0.00 0.00 0.00 175.10 175.80 1g0s n LYS 122 N 1.26 0.00 -2.53 2.72 5.02 0.81 -4.97 118.16 120.46 1g0s n LYS 122 Ca -0.01 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.93 1g0s n LYS 122 Cb 0.45 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.43 1g0s n LYS 122 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1g0s s ARG 123 N 1.51 3.83 0.17 1.97 0.52 -1.26 -4.75 118.95 120.94 1g0s s ARG 123 Ca 0.00 1.40 0.08 0.00 -0.52 0.00 0.00 55.73 56.69 1g0s s ARG 123 Cb 0.00 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 1g0s s ARG 123 CO 0.00 -0.41 -0.17 0.95 0.02 0.00 0.00 175.30 175.69 1g0s s THR 124 N -1.91 1.76 -0.13 0.02 -4.23 -1.26 0.20 115.64 110.08 1g0s s THR 124 Ca 0.66 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.12 1g0s s THR 124 Cb -0.18 -1.87 0.05 0.00 1.34 0.00 0.00 72.50 71.84 1g0s s THR 124 CO 0.22 -0.40 0.30 -0.75 -0.54 0.00 0.00 174.62 173.45 1g0s s LYS 125 N -3.03 0.26 0.22 3.99 2.20 -0.38 -4.95 119.74 118.05 1g0s s LYS 125 Ca 0.17 0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 56.14 1g0s s LYS 125 Cb -0.04 -0.06 -0.10 0.00 -1.51 0.00 0.00 37.83 36.12 1g0s s LYS 125 CO 0.06 -0.18 1.45 -1.25 -0.36 0.00 0.00 175.35 175.07 1g0s s PRO 126 N 1.53 4.27 -0.09 4.03 0.04 -1.26 -0.45 135.00 143.07 1g0s s PRO 126 Ca -0.08 2.28 -0.10 0.00 0.04 0.00 0.00 61.00 63.14 1g0s s PRO 126 Cb -0.10 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 1g0s s PRO 126 CO -0.10 -0.44 -0.19 0.28 0.04 0.00 0.00 177.00 176.59 1g0s n VAL 127 N 2.79 0.91 -3.60 -0.36 0.31 0.04 -4.87 118.33 113.54 1g0s n VAL 127 Ca 0.08 0.27 -0.09 0.00 -0.01 0.00 0.00 64.34 64.60 1g0s n VAL 127 Cb 0.40 -1.94 -0.06 0.00 -0.91 0.00 0.00 33.84 31.34 1g0s n VAL 127 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1g0s s LEU 128 N -6.73 -0.35 -0.19 7.52 0.20 -1.08 -5.01 118.68 113.05 1g0s s LEU 128 Ca -0.16 0.49 -0.01 0.00 0.69 0.00 0.00 54.13 55.14 1g0s s LEU 128 Cb 0.02 1.77 0.00 0.00 -0.43 0.00 0.00 46.19 47.55 1g0s s LEU 128 CO 0.23 -0.25 -0.12 -0.55 -0.29 0.00 0.00 176.35 175.37 1g0s s SER 129 N -0.67 3.82 0.16 3.68 0.15 -1.26 0.46 113.70 120.05 1g0s s SER 129 Ca 0.01 -0.47 0.08 0.00 0.70 0.00 0.00 55.95 56.26 1g0s s SER 129 Cb -0.02 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.63 1g0s s SER 129 CO -0.02 0.02 -0.16 0.72 1.20 0.00 0.00 173.24 175.00 1g0s s PHE 130 N 1.20 1.69 -0.26 3.44 -0.12 0.16 -4.95 117.98 119.13 1g0s s PHE 130 Ca 0.02 -0.52 -0.15 0.00 -0.05 0.00 0.00 56.93 56.23 1g0s s PHE 130 Cb -0.14 -0.84 -0.04 0.00 -0.63 0.00 0.00 43.02 41.38 1g0s s PHE 130 CO -0.05 0.29 0.38 -0.51 -0.05 0.00 0.00 175.22 175.28 1g0s s LEU 131 N -2.78 4.04 0.22 -1.99 1.43 -1.26 -0.73 118.68 117.62 1g0s s LEU 131 Ca 0.16 0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 53.48 1g0s s LEU 131 Cb -0.04 -2.43 0.29 0.00 0.03 0.00 0.00 46.19 44.03 1g0s s LEU 131 CO 0.06 -0.18 1.79 0.00 0.23 0.00 0.00 176.35 178.25 1g0s h ALA 132 N 8.12 0.93 -0.15 4.21 0.00 -1.75 -3.40 119.26 127.22 1g0s h ALA 132 Ca -0.32 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1g0s h ALA 132 Cb 1.16 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1g0s h ALA 132 CO 0.65 -0.02 -0.23 0.45 0.00 0.00 0.00 179.25 180.10 1g0s n SER 133 N -4.84 -1.99 0.15 0.00 2.88 -1.26 -5.04 113.62 103.51 1g0s n SER 133 Ca 0.10 -2.14 0.06 0.00 -1.33 0.00 0.00 58.87 55.55 1g0s n SER 133 Cb 0.23 1.13 0.30 0.00 -0.75 0.00 0.00 64.21 65.12 1g0s n SER 133 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1g0s n PRO 134 N 1.92 0.08 0.22 -1.46 -0.04 -1.25 -1.27 135.00 133.19 1g0s n PRO 134 Ca 0.07 0.54 0.11 0.00 -0.04 0.00 0.00 63.50 64.18 1g0s n PRO 134 Cb 0.66 -2.08 0.32 0.00 -0.04 0.00 0.00 33.50 32.36 1g0s n PRO 134 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1g0s h GLY 135 N 0.00 0.00 0.00 0.55 0.00 -1.98 -3.39 103.07 98.25 1g0s h GLY 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1g0s h GLY 135 CO 0.00 0.00 -0.29 0.61 0.00 0.00 0.00 176.54 176.86 1g0s n GLY 136 N 0.67 0.13 3.07 4.60 0.00 -0.40 -4.97 105.19 108.29 1g0s n GLY 136 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1g0s n GLY 136 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1g0s s THR 137 N -0.62 0.55 -0.73 2.61 -1.32 -0.56 -0.81 115.64 114.76 1g0s s THR 137 Ca 0.00 -1.15 0.25 0.00 -1.21 0.00 0.00 61.69 59.59 1g0s s THR 137 Cb 0.00 -0.69 0.16 0.00 -1.51 0.00 0.00 72.50 70.46 1g0s s THR 137 CO 0.00 -0.42 1.57 -1.54 -2.21 0.00 0.00 174.62 172.01 1g0s n SER 138 N 1.34 0.69 -4.65 8.08 3.41 -1.04 -3.83 113.62 117.61 1g0s n SER 138 Ca -0.22 0.32 -0.58 0.00 -0.26 0.00 0.00 58.87 58.13 1g0s n SER 138 Cb 0.55 -0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 1g0s n SER 138 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1g0s n GLU 139 N -2.09 0.81 -5.24 4.33 2.13 -1.26 -4.92 120.64 114.40 1g0s n GLU 139 Ca 0.05 0.30 -0.30 0.00 0.66 0.00 0.00 57.16 57.86 1g0s n GLU 139 Cb 0.42 -1.91 -0.16 0.00 0.27 0.00 0.00 31.44 30.06 1g0s n GLU 139 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1g0s s ARG 140 N 2.08 2.04 -0.08 5.31 6.06 -1.26 -2.07 118.95 131.03 1g0s s ARG 140 Ca 0.94 -0.89 0.01 0.00 -2.50 0.00 0.00 55.73 53.30 1g0s s ARG 140 Cb -1.13 -1.96 0.02 0.00 0.06 0.00 0.00 34.95 31.94 1g0s s ARG 140 CO 0.62 0.52 -0.09 -1.12 -2.50 0.00 0.00 175.30 172.73 1g0s s SER 141 N -0.55 1.80 -0.26 -2.12 0.01 0.10 -0.98 113.70 111.69 1g0s s SER 141 Ca 0.09 -0.26 -0.09 0.00 1.31 0.00 0.00 55.95 57.00 1g0s s SER 141 Cb -0.10 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.34 1g0s s SER 141 CO -0.01 -0.05 0.11 -0.44 0.41 0.00 0.00 173.24 173.27 1g0s s SER 142 N 1.18 5.50 -0.04 2.44 0.01 -0.24 -0.67 113.70 121.88 1g0s s SER 142 Ca -0.05 -0.11 -0.10 0.00 1.31 0.00 0.00 55.95 56.99 1g0s s SER 142 Cb -0.14 -2.00 -0.05 0.00 0.21 0.00 0.00 66.02 64.04 1g0s s SER 142 CO -0.02 -0.02 0.29 -0.63 0.41 0.00 0.00 173.24 173.27 1g0s s ILE 143 N 1.57 5.25 0.08 1.44 1.01 0.17 -0.22 121.20 130.50 1g0s s ILE 143 Ca 0.06 0.49 0.03 0.00 0.00 0.00 0.00 60.65 61.24 1g0s s ILE 143 Cb -0.15 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1g0s s ILE 143 CO 0.06 0.55 -0.09 -0.04 0.00 0.00 0.00 174.94 175.42 1g0s s MET 144 N -1.20 0.76 -0.20 2.79 -1.94 -0.20 -0.78 119.30 118.53 1g0s s MET 144 Ca 0.21 -1.10 -0.08 0.00 -1.71 0.00 0.00 55.69 53.02 1g0s s MET 144 Cb -0.14 -0.39 -0.04 0.00 2.01 0.00 0.00 34.83 36.26 1g0s s MET 144 CO 0.10 0.05 0.08 0.08 -0.01 0.00 0.00 175.02 175.32 1g0s s VAL 145 N -2.44 4.86 -0.20 -6.03 1.01 0.40 -1.25 120.40 116.75 1g0s s VAL 145 Ca 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1g0s s VAL 145 Cb -0.03 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1g0s s VAL 145 CO -0.01 0.44 -0.02 -0.83 0.00 0.00 0.00 175.10 174.68 1g0s s GLY 146 N 0.54 1.68 0.00 4.51 0.00 -0.15 -1.25 107.32 112.65 1g0s s GLY 146 Ca 0.04 -1.02 -0.30 0.00 0.00 0.00 0.00 44.72 43.44 1g0s s GLY 146 CO 0.01 0.24 1.26 1.85 0.00 0.00 0.00 173.10 176.46 1g0s s GLU 147 N 1.05 4.36 0.17 2.90 2.12 0.13 -1.02 118.70 128.42 1g0s s GLU 147 Ca 0.02 1.79 -0.00 0.00 0.36 0.00 0.00 54.97 57.13 1g0s s GLU 147 Cb -0.14 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 1g0s s GLU 147 CO 0.01 -0.42 0.07 0.14 -0.54 0.00 0.00 175.26 174.52 1g0s s VAL 148 N 1.86 0.23 -0.42 3.70 -7.23 -0.52 -0.14 120.40 117.88 1g0s s VAL 148 Ca 0.59 -1.96 -0.11 0.00 -1.81 0.00 0.00 61.98 58.70 1g0s s VAL 148 Cb -0.28 -2.24 0.07 0.00 0.56 0.00 0.00 36.38 34.49 1g0s s VAL 148 CO 0.26 -0.30 0.27 -0.62 -0.31 0.00 0.00 175.10 174.40 1g0s s ASP 149 N -3.13 5.75 0.44 4.85 -1.08 -1.26 -4.05 116.67 118.19 1g0s s ASP 149 Ca 0.29 -1.38 0.27 0.00 -0.52 0.00 0.00 52.55 51.21 1g0s s ASP 149 Cb 0.07 -2.03 1.48 0.00 -1.46 0.00 0.00 42.92 40.98 1g0s s ASP 149 CO 0.06 -0.53 1.82 0.00 0.52 0.00 0.00 175.17 177.04 1g0s h ALA 150 N 8.48 1.05 0.00 3.66 0.00 -1.93 -1.46 119.26 129.06 1g0s h ALA 150 Ca -0.24 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1g0s h ALA 150 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1g0s h ALA 150 CO 0.76 -0.05 -0.24 1.15 0.00 0.00 0.00 179.25 180.87 1g0s h THR 151 N 0.00 0.49 -0.06 0.00 2.02 -2.03 -3.21 112.91 110.12 1g0s h THR 151 Ca 0.00 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.81 1g0s h THR 151 Cb 0.12 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1g0s h THR 151 CO 0.00 0.24 0.00 0.35 0.37 0.00 0.00 175.52 176.48 1g0s n THR 152 N -3.26 0.07 -0.64 3.16 -2.24 -0.55 -4.94 114.28 105.88 1g0s n THR 152 Ca 0.01 -0.24 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 1g0s n THR 152 Cb 0.53 0.31 0.20 0.00 -2.10 0.00 0.00 70.33 69.27 1g0s n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g0s s ALA 153 N -1.93 0.80 0.00 6.98 0.00 -1.21 -4.75 121.76 121.65 1g0s s ALA 153 Ca 0.37 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1g0s s ALA 153 Cb 0.19 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1g0s s ALA 153 CO 0.31 -3.14 0.00 0.45 0.00 0.00 0.00 175.76 173.37 1g0s n SER 154 N -4.48 0.00 0.00 0.00 2.88 -0.94 -5.02 113.62 106.05 1g0s n SER 154 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1g0s n SER 154 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1g0s n SER 154 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1g0s n ASN 163 N 0.00 0.00 0.14 -3.46 0.23 -1.26 -4.42 115.26 106.48 1g0s n ASN 163 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 1g0s n ASN 163 Cb 0.00 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 37.97 1g0s n ASN 163 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1g0s h GLU 164 N 0.00 0.00 0.00 -3.83 4.11 -2.01 -3.30 114.58 109.56 1g0s h GLU 164 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1g0s h GLU 164 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1g0s h GLU 164 CO 0.00 0.00 -1.60 -0.25 0.07 0.00 0.00 179.01 177.23 1g0s n ASP 165 N -2.55 2.18 -3.85 3.06 8.00 -1.26 -4.98 116.55 117.15 1g0s n ASP 165 Ca 0.04 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.32 1g0s n ASP 165 Cb 0.47 1.44 -0.17 0.00 -0.02 0.00 0.00 41.12 42.84 1g0s n ASP 165 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1g0s s ILE 166 N -2.76 0.54 -0.13 0.53 1.01 -1.24 -4.51 121.20 114.64 1g0s s ILE 166 Ca -0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.52 1g0s s ILE 166 Cb 0.07 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 1g0s s ILE 166 CO 0.51 0.26 0.00 -0.60 0.00 0.00 0.00 174.94 175.11 1g0s s ARG 167 N 1.44 3.42 0.13 2.79 3.52 -0.57 -4.13 118.95 125.54 1g0s s ARG 167 Ca -0.03 -0.43 -0.21 0.00 -0.13 0.00 0.00 55.73 54.93 1g0s s ARG 167 Cb -0.13 -2.92 -0.07 0.00 -1.56 0.00 0.00 34.95 30.26 1g0s s ARG 167 CO -0.03 0.46 0.66 0.08 -0.81 0.00 0.00 175.30 175.66 1g0s s VAL 168 N -0.22 4.60 -0.18 7.11 1.01 -1.26 0.30 120.40 131.76 1g0s s VAL 168 Ca 0.05 1.36 -0.02 0.00 0.00 0.00 0.00 61.98 63.37 1g0s s VAL 168 Cb -0.12 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.35 1g0s s VAL 168 CO 0.02 0.47 0.02 -1.00 0.00 0.00 0.00 175.10 174.62 1g0s s HIS 169 N -1.21 1.07 -0.30 5.22 3.76 0.12 -4.95 115.29 119.01 1g0s s HIS 169 Ca 0.34 -0.81 -0.11 0.00 -0.15 0.00 0.00 55.06 54.32 1g0s s HIS 169 Cb -0.20 -1.04 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 1g0s s HIS 169 CO 0.22 -0.58 0.20 0.08 -0.85 0.00 0.00 174.74 173.81 1g0s s VAL 170 N 1.84 5.24 0.22 -0.90 1.01 -1.26 0.21 120.40 126.76 1g0s s VAL 170 Ca -0.00 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1g0s s VAL 170 Cb -0.16 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1g0s s VAL 170 CO -0.07 0.16 0.05 0.68 0.00 0.00 0.00 175.10 175.92 1g0s s VAL 171 N 1.74 0.65 0.71 2.92 -7.23 -0.83 -5.00 120.40 113.35 1g0s s VAL 171 Ca 0.07 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.12 1g0s s VAL 171 Cb -0.16 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1g0s s VAL 171 CO 0.10 -0.23 1.08 -0.94 -0.31 0.00 0.00 175.10 174.80 1g0s s SER 172 N -3.25 4.99 0.25 4.85 1.04 -1.26 -0.88 113.70 119.44 1g0s s SER 172 Ca 0.31 1.79 -0.06 0.00 0.48 0.00 0.00 55.95 58.47 1g0s s SER 172 Cb 0.07 -2.52 0.27 0.00 0.10 0.00 0.00 66.02 63.94 1g0s s SER 172 CO 0.09 -1.70 1.91 -0.09 0.98 0.00 0.00 173.24 174.42 1g0s h ARG 173 N -0.65 1.22 -0.58 4.02 2.43 -1.66 -1.48 114.38 117.68 1g0s h ARG 173 Ca -0.44 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 58.61 1g0s h ARG 173 Cb 1.23 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 1g0s h ARG 173 CO 0.54 0.81 0.18 0.93 -1.51 0.00 0.00 179.97 180.92 1g0s h GLU 174 N 1.26 0.88 -0.17 0.20 4.39 -1.92 0.28 114.58 119.50 1g0s h GLU 174 Ca 0.37 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.87 1g0s h GLU 174 Cb -0.07 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 1g0s h GLU 174 CO -0.10 0.76 -0.03 0.37 -1.16 0.00 0.00 179.01 178.85 1g0s h GLN 175 N 0.85 0.32 -0.48 2.33 5.75 -1.79 0.58 115.11 122.68 1g0s h GLN 175 Ca 0.19 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1g0s h GLN 175 Cb 0.24 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 1g0s h GLN 175 CO -0.01 0.57 0.29 0.00 -2.65 0.00 0.00 178.83 177.03 1g0s h ALA 176 N 0.74 0.62 -0.41 3.38 0.00 -0.98 -0.58 119.26 122.01 1g0s h ALA 176 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1g0s h ALA 176 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1g0s h ALA 176 CO 0.01 -0.02 0.05 -0.92 0.00 0.00 0.00 179.25 178.38 1g0s h TYR 177 N 0.58 0.74 -0.37 0.00 3.20 -0.85 -2.36 116.97 117.92 1g0s h TYR 177 Ca 0.19 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 61.96 1g0s h TYR 177 Cb 0.01 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1g0s h TYR 177 CO -0.07 0.73 0.25 0.37 -1.64 0.00 0.00 178.16 177.80 1g0s h GLN 178 N 0.54 0.46 0.00 1.82 5.75 -0.55 -0.54 115.11 122.61 1g0s h GLN 178 Ca 0.12 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.52 1g0s h GLN 178 Cb 0.40 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1g0s h GLN 178 CO 0.01 0.31 -0.35 -1.49 -2.65 0.00 0.00 178.83 174.65 1g0s h TRP 179 N 0.48 0.00 -0.21 3.99 6.55 -0.60 -1.08 115.95 125.08 1g0s h TRP 179 Ca 0.14 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.86 1g0s h TRP 179 Cb -0.01 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.29 1g0s h TRP 179 CO -0.00 0.35 -0.33 0.28 -1.05 0.00 0.00 178.44 177.69 1g0s h VAL 180 N 0.00 1.33 -0.78 1.49 2.07 -0.75 0.42 116.25 120.02 1g0s h VAL 180 Ca -0.00 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 65.95 1g0s h VAL 180 Cb 0.65 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 1g0s h VAL 180 CO 0.05 0.48 0.40 -0.33 0.02 0.00 0.00 177.57 178.18 1g0s h GLU 181 N 0.28 1.10 -0.01 1.57 4.39 -0.93 -2.05 114.58 118.94 1g0s h GLU 181 Ca 0.02 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1g0s h GLU 181 Cb 0.92 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1g0s h GLU 181 CO 0.08 0.83 -0.05 0.39 -1.16 0.00 0.00 179.01 179.10 1g0s n GLU 182 N -4.33 1.08 -0.90 2.33 1.02 -0.44 -4.92 120.64 114.47 1g0s n GLU 182 Ca 0.08 -0.39 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 1g0s n GLU 182 Cb 0.12 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1g0s n GLU 182 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1g0s n GLY 183 N 1.16 0.67 0.17 0.62 0.00 -0.77 -4.91 105.19 102.14 1g0s n GLY 183 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1g0s n GLY 183 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g0s h LYS 184 N 1.84 0.00 -4.85 1.61 1.57 -0.43 -3.38 116.57 112.94 1g0s h LYS 184 Ca 0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 1g0s h LYS 184 Cb 0.00 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 31.97 1g0s h LYS 184 CO 0.00 0.42 -0.75 0.42 -0.57 0.00 0.00 179.45 178.97 1g0s s ILE 185 N -3.41 2.69 -0.03 1.86 1.01 -0.71 -4.72 121.20 117.90 1g0s s ILE 185 Ca 0.01 -1.34 0.09 0.00 0.00 0.00 0.00 60.65 59.41 1g0s s ILE 185 Cb 0.10 -2.49 0.16 0.00 0.01 0.00 0.00 42.46 40.24 1g0s s ILE 185 CO 0.70 0.02 1.07 -0.90 0.00 0.00 0.00 174.94 175.84 1g0s n ASP 186 N 4.58 0.60 -4.82 3.58 5.75 -1.26 -4.38 116.55 120.60 1g0s n ASP 186 Ca -0.15 -2.22 -0.38 0.00 -0.01 0.00 0.00 54.79 52.04 1g0s n ASP 186 Cb 0.44 -0.27 -0.06 0.00 -1.03 0.00 0.00 41.12 40.20 1g0s n ASP 186 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1g0s s ASN 187 N -1.57 7.00 0.26 -1.12 2.20 -1.26 -4.96 114.94 115.48 1g0s s ASN 187 Ca 0.14 1.21 -0.03 0.00 -0.94 0.00 0.00 52.86 53.24 1g0s s ASN 187 Cb 0.15 -2.34 0.53 0.00 -2.00 0.00 0.00 41.25 37.59 1g0s s ASN 187 CO -0.04 0.24 1.66 0.00 -2.94 0.00 0.00 177.10 176.02 1g0s h ALA 188 N 4.34 1.02 -0.53 3.54 0.00 -1.99 -2.00 119.26 123.64 1g0s h ALA 188 Ca -0.50 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1g0s h ALA 188 Cb 1.21 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1g0s h ALA 188 CO 0.64 -0.39 0.34 0.00 0.00 0.00 0.00 179.25 179.83 1g0s h ALA 189 N 1.68 0.67 -0.26 0.00 0.00 -1.99 -1.19 119.26 118.17 1g0s h ALA 189 Ca 0.46 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.18 1g0s h ALA 189 Cb 0.83 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1g0s h ALA 189 CO -0.58 0.14 -0.37 0.77 0.00 0.00 0.00 179.25 179.21 1g0s h SER 190 N 0.72 0.78 -0.43 0.00 0.02 -1.83 -1.83 113.55 110.99 1g0s h SER 190 Ca 0.19 -0.51 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1g0s h SER 190 Cb -0.05 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1g0s h SER 190 CO -0.04 1.13 0.22 0.58 -1.14 0.00 0.00 176.83 177.59 1g0s h VAL 191 N 0.45 1.16 -0.11 2.27 2.07 -1.27 0.90 116.25 121.72 1g0s h VAL 191 Ca 0.03 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1g0s h VAL 191 Cb 0.96 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1g0s h VAL 191 CO 0.09 0.17 0.02 0.40 0.02 0.00 0.00 177.57 178.27 1g0s h ILE 192 N 0.55 1.22 -0.48 4.57 2.04 -1.25 -1.53 117.51 122.63 1g0s h ILE 192 Ca 0.15 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1g0s h ILE 192 Cb 0.08 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1g0s h ILE 192 CO -0.02 0.20 0.21 0.00 0.00 0.00 0.00 178.15 178.54 1g0s h ALA 193 N 0.79 0.63 0.00 1.87 0.00 -1.21 -0.58 119.26 120.75 1g0s h ALA 193 Ca 0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1g0s h ALA 193 Cb 0.30 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1g0s h ALA 193 CO 0.00 0.21 -0.58 -0.07 0.00 0.00 0.00 179.25 178.81 1g0s h LEU 194 N 0.64 0.00 -0.27 0.00 3.38 -0.84 0.54 115.31 118.76 1g0s h LEU 194 Ca 0.16 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.93 1g0s h LEU 194 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1g0s h LEU 194 CO -0.02 0.58 -0.79 1.56 0.09 0.00 0.00 178.44 179.87 1g0s h GLN 195 N 0.00 0.57 -0.30 1.13 4.20 -1.14 -0.43 115.11 119.13 1g0s h GLN 195 Ca -0.01 -0.49 -0.02 0.00 0.06 0.00 0.00 58.65 58.19 1g0s h GLN 195 Cb 1.10 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 1g0s h GLN 195 CO 0.08 1.11 0.10 2.35 -0.67 0.00 0.00 178.83 181.79 1g0s h TRP 196 N 0.38 0.48 -0.62 2.96 7.01 -0.88 -2.24 115.95 123.04 1g0s h TRP 196 Ca -0.05 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 60.88 1g0s h TRP 196 Cb 1.39 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 28.28 1g0s h TRP 196 CO 0.06 0.50 0.30 1.25 -2.79 0.00 0.00 178.44 177.76 1g0s h LEU 197 N 0.33 0.79 -1.21 0.65 5.85 -0.77 -0.54 115.31 120.41 1g0s h LEU 197 Ca 0.10 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1g0s h LEU 197 Cb 0.24 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1g0s h LEU 197 CO -0.00 0.67 -0.39 -0.61 -0.34 0.00 0.00 178.44 177.77 1g0s h GLN 198 N 0.88 0.00 0.00 1.25 5.75 -0.79 0.25 115.11 122.44 1g0s h GLN 198 Ca 0.22 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.60 1g0s h GLN 198 Cb 0.09 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1g0s h GLN 198 CO -0.03 0.39 -0.92 -0.07 -2.65 0.00 0.00 178.83 175.56 1g0s h LEU 199 N 0.00 0.00 -2.07 -2.39 3.38 -0.81 -3.38 115.31 110.04 1g0s h LEU 199 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1g0s h LEU 199 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1g0s h LEU 199 CO 0.05 0.47 0.00 1.41 0.09 0.00 0.00 178.44 180.46 1g0s n HIS 200 N -3.03 0.02 -0.30 1.13 8.25 -0.27 -4.87 115.22 116.16 1g0s n HIS 200 Ca -0.03 -0.26 0.05 0.00 -0.26 0.00 0.00 57.72 57.22 1g0s n HIS 200 Cb 0.75 -0.03 0.20 0.00 1.12 0.00 0.00 29.99 32.04 1g0s n HIS 200 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1g0s h HIS 201 N 0.18 0.84 -0.30 4.41 2.07 -0.70 -1.52 115.15 120.13 1g0s h HIS 201 Ca 0.00 0.03 -0.09 0.00 -2.85 0.00 0.00 60.37 57.47 1g0s h HIS 201 Cb 0.29 -0.25 -0.01 0.00 2.57 0.00 0.00 27.41 30.02 1g0s h HIS 201 CO 0.01 0.28 -0.15 1.96 -3.07 0.00 0.00 177.93 176.96 1g0s h GLN 202 N 0.73 0.62 -0.55 5.12 1.08 -1.89 -0.48 115.11 119.74 1g0s h GLN 202 Ca 0.44 -0.27 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 1g0s h GLN 202 Cb 0.51 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 1g0s h GLN 202 CO -0.30 0.85 0.35 0.00 -0.95 0.00 0.00 178.83 178.78 1g0s h ALA 203 N 0.75 0.71 -0.42 3.87 0.00 -1.85 -0.25 119.26 122.07 1g0s h ALA 203 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1g0s h ALA 203 Cb 0.67 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1g0s h ALA 203 CO 0.04 0.09 0.15 1.25 0.00 0.00 0.00 179.25 180.79 1g0s h LEU 204 N 0.70 0.59 -1.40 0.00 5.85 -1.16 -0.32 115.31 119.57 1g0s h LEU 204 Ca 0.21 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1g0s h LEU 204 Cb -0.03 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1g0s h LEU 204 CO -0.07 0.62 0.30 0.50 -0.34 0.00 0.00 178.44 179.45 1g0s h LYS 205 N 0.53 0.71 -0.22 1.25 3.64 -0.73 -0.56 116.57 121.18 1g0s h LYS 205 Ca 0.14 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.25 1g0s h LYS 205 Cb 0.22 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1g0s h LYS 205 CO -0.01 0.51 -0.66 -0.91 -2.27 0.00 0.00 179.45 176.11 1g0s h ASN 206 N 0.72 0.96 -0.55 4.20 2.35 -0.55 -0.92 115.58 121.80 1g0s h ASN 206 Ca 0.19 -0.58 -0.04 0.00 -0.55 0.00 0.00 56.30 55.31 1g0s h ASN 206 Cb -0.01 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 1g0s h ASN 206 CO -0.03 1.37 0.19 -0.08 -1.65 0.00 0.00 177.43 177.22 1g0s h GLU 207 N 0.60 0.89 -0.47 0.81 4.81 -0.51 -2.64 114.58 118.06 1g0s h GLU 207 Ca -0.02 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1g0s h GLU 207 Cb 1.28 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1g0s h GLU 207 CO 0.14 0.77 0.00 0.91 -0.73 0.00 0.00 179.01 180.10 1g0s n TRP 208 N -4.29 0.62 0.00 0.92 8.01 -0.27 -5.10 117.44 117.34 1g0s n TRP 208 Ca 0.05 -0.31 0.00 0.00 -1.31 0.00 0.00 57.50 55.92 1g0s n TRP 208 Cb 0.20 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.50 1g0s n TRP 208 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68