#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jty h ALA 2 N 0.00 1.65 -6.31 0.00 0.00 -2.08 -3.45 119.26 109.06 2jty h ALA 2 Ca 0.00 0.26 -0.38 0.00 0.00 0.00 0.00 54.91 54.79 2jty h ALA 2 Cb 0.00 0.36 0.03 0.00 0.00 0.00 0.00 17.79 18.18 2jty h ALA 2 CO 0.00 -0.66 -0.81 2.41 0.00 0.00 0.00 179.25 180.19 2jty n THR 3 N -5.26 -5.55 -4.06 0.00 -1.04 -1.26 -5.00 114.28 92.10 2jty n THR 3 Ca 0.29 -0.46 -0.10 0.00 -2.04 0.00 0.00 64.05 61.74 2jty n THR 3 Cb 0.94 -4.18 -0.08 0.00 -1.82 0.00 0.00 70.33 65.20 2jty n THR 3 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2jty s THR 4 N -3.22 0.02 0.29 12.58 -1.32 -1.26 -5.14 115.64 117.60 2jty s THR 4 Ca 0.22 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.07 2jty s THR 4 Cb -0.09 -2.20 0.00 0.00 -1.51 0.00 0.00 72.50 68.70 2jty s THR 4 CO 0.86 -0.10 0.00 0.52 -2.21 0.00 0.00 174.62 173.69 2jty n VAL 5 N -0.29 -2.00 -0.04 5.08 0.31 -1.26 -4.86 118.33 115.27 2jty n VAL 5 Ca -0.02 0.89 -0.14 0.00 -0.01 0.00 0.00 64.34 65.06 2jty n VAL 5 Cb 0.64 -1.38 -0.08 0.00 -0.91 0.00 0.00 33.84 32.10 2jty n VAL 5 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2jty h ASN 6 N 0.31 0.48 0.00 4.52 -0.73 -2.03 -3.47 115.58 114.66 2jty h ASN 6 Ca 0.00 -0.58 0.00 0.00 1.87 0.00 0.00 56.30 57.59 2jty h ASN 6 Cb 0.35 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.80 2jty h ASN 6 CO 0.00 0.97 0.00 0.61 -0.37 0.00 0.00 177.43 178.64 2jty n GLY 7 N 0.50 0.35 0.00 1.57 0.00 -1.26 -5.17 105.19 101.17 2jty n GLY 7 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2jty n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jty n GLY 8 N 0.00 3.71 3.56 -0.02 0.00 -1.26 -4.92 105.19 106.25 2jty n GLY 8 Ca 0.00 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 2jty n GLY 8 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jty s THR 9 N -2.00 3.86 -0.77 2.61 -1.32 -1.26 -4.62 115.64 112.13 2jty s THR 9 Ca 0.00 -0.53 -0.03 0.00 -1.21 0.00 0.00 61.69 59.92 2jty s THR 9 Cb 0.00 -4.97 0.00 0.00 -1.51 0.00 0.00 72.50 66.02 2jty s THR 9 CO 0.00 -1.87 0.63 0.52 -2.21 0.00 0.00 174.62 171.69 2jty n VAL 10 N 6.85 -5.18 -1.29 5.08 0.31 -1.26 -4.74 118.33 118.10 2jty n VAL 10 Ca 0.28 -0.04 -0.22 0.00 -0.01 0.00 0.00 64.34 64.36 2jty n VAL 10 Cb 0.50 -4.03 -0.10 0.00 -0.91 0.00 0.00 33.84 29.31 2jty n VAL 10 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jty n HIS 11 N -2.19 0.98 -3.57 3.52 -0.00 -1.26 -4.58 115.22 108.12 2jty n HIS 11 Ca -0.22 -1.84 -0.04 0.00 -0.00 0.00 0.00 57.72 55.62 2jty n HIS 11 Cb 0.64 -1.55 -0.06 0.00 -0.00 0.00 0.00 29.99 29.02 2jty n HIS 11 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2jty s PHE 12 N -0.32 -1.15 -0.38 -1.40 0.40 -1.26 -5.09 117.98 108.78 2jty s PHE 12 Ca 0.63 1.87 0.13 0.00 -0.60 0.00 0.00 56.93 58.96 2jty s PHE 12 Cb 0.34 0.55 0.40 0.00 0.51 0.00 0.00 43.02 44.82 2jty s PHE 12 CO -0.11 -0.63 0.89 1.63 0.70 0.00 0.00 175.22 177.69 2jty n LYS 13 N 5.42 1.59 -0.06 0.44 5.02 -1.26 -4.94 118.16 124.37 2jty n LYS 13 Ca -0.09 -3.63 -0.12 0.00 -2.02 0.00 0.00 58.31 52.46 2jty n LYS 13 Cb 0.49 -1.64 -0.05 0.00 -0.02 0.00 0.00 35.03 33.81 2jty n LYS 13 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2jty h GLY 14 N 2.95 0.33 0.00 0.72 0.00 -1.99 -3.48 103.07 101.60 2jty h GLY 14 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2jty h GLY 14 CO 0.58 0.22 0.00 -1.84 0.00 0.00 0.00 176.54 175.49 2jty n GLU 15 N -4.74 2.01 -0.90 4.80 0.28 -1.26 -5.01 120.64 115.82 2jty n GLU 15 Ca -0.05 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.52 2jty n GLU 15 Cb 0.21 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.99 2jty n GLU 15 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2jty n VAL 16 N 0.00 0.97 -1.01 3.84 3.14 -1.26 -4.82 118.33 119.20 2jty n VAL 16 Ca 0.00 -0.86 -0.27 0.00 -2.96 0.00 0.00 64.34 60.25 2jty n VAL 16 Cb 0.00 -2.17 -0.05 0.00 -1.06 0.00 0.00 33.84 30.57 2jty n VAL 16 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2jty n VAL 17 N 6.58 3.29 -3.75 1.55 0.24 -1.26 -4.68 118.33 120.30 2jty n VAL 17 Ca 0.48 -1.91 -0.30 0.00 -2.04 0.00 0.00 64.34 60.57 2jty n VAL 17 Cb 0.41 -2.31 -0.14 0.00 -1.47 0.00 0.00 33.84 30.34 2jty n VAL 17 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2jty s ASN 18 N 2.62 3.93 -0.14 -1.34 0.01 -1.26 -5.08 114.94 113.68 2jty s ASN 18 Ca 0.56 -2.11 -0.02 0.00 -0.71 0.00 0.00 52.86 50.58 2jty s ASN 18 Cb 0.17 -1.01 0.04 0.00 0.41 0.00 0.00 41.25 40.86 2jty s ASN 18 CO -0.04 -0.35 0.00 0.00 -1.51 0.00 0.00 177.10 175.21 2jty s ALA 19 N 1.00 1.00 0.43 0.60 0.00 -1.26 -4.76 121.76 118.76 2jty s ALA 19 Ca 0.13 -0.52 0.22 0.00 0.00 0.00 0.00 51.96 51.79 2jty s ALA 19 Cb -0.21 -1.01 1.19 0.00 0.00 0.00 0.00 23.12 23.09 2jty s ALA 19 CO -0.12 -0.83 1.79 0.00 0.00 0.00 0.00 175.76 176.59 2jty h ALA 20 N 8.25 2.40 -3.89 0.00 0.00 -1.93 -3.39 119.26 120.70 2jty h ALA 20 Ca -0.19 0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.20 2jty h ALA 20 Cb 1.12 0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.70 2jty h ALA 20 CO 0.32 -0.77 -0.83 0.00 0.00 0.00 0.00 179.25 177.98 2jty n ALA 22 N 1.64 2.50 -2.05 0.00 0.00 0.12 -4.85 120.51 117.86 2jty n ALA 22 Ca -0.18 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2jty n ALA 22 Cb 0.54 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2jty n ALA 22 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2jty n VAL 23 N 0.82 -6.61 -1.63 0.00 3.14 -1.26 -4.90 118.33 107.89 2jty n VAL 23 Ca 0.17 1.60 -0.42 0.00 -2.96 0.00 0.00 64.34 62.73 2jty n VAL 23 Cb 0.47 -3.48 0.00 0.00 -1.06 0.00 0.00 33.84 29.78 2jty n VAL 23 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2jty n ASP 24 N 1.87 1.72 -0.34 6.55 -0.08 -0.68 -4.65 116.55 120.93 2jty n ASP 24 Ca 0.00 1.12 0.15 0.00 -1.51 0.00 0.00 54.79 54.54 2jty n ASP 24 Cb 0.00 -1.38 0.36 0.00 2.34 0.00 0.00 41.12 42.44 2jty n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jty h ALA 25 N 1.94 1.78 0.00 -1.67 0.00 -1.91 0.86 119.26 120.25 2jty h ALA 25 Ca -0.44 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2jty h ALA 25 Cb 1.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2jty h ALA 25 CO 0.59 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.10 2jty n GLY 26 N -1.36 -0.02 0.00 0.00 0.00 -1.26 -3.50 105.19 99.05 2jty n GLY 26 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2jty n GLY 26 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jty n SER 27 N -0.22 0.00 -0.00 1.61 2.88 0.04 -4.85 113.62 113.07 2jty n SER 27 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 2jty n SER 27 Cb 0.05 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.47 2jty n SER 27 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2jty h VAL 28 N 0.00 0.91 -2.63 2.46 3.04 -0.97 -3.34 116.25 115.71 2jty h VAL 28 Ca 0.00 -0.01 -0.61 0.00 -1.01 0.00 0.00 66.70 65.08 2jty h VAL 28 Cb 0.00 0.89 -0.42 0.00 -2.01 0.00 0.00 31.29 29.75 2jty h VAL 28 CO 0.00 0.00 -0.62 -0.67 -1.01 0.00 0.00 177.57 175.27 2jty n ASP 29 N -5.13 3.03 -4.69 3.17 2.03 -1.24 -0.28 116.55 113.44 2jty n ASP 29 Ca -0.05 -3.24 -0.35 0.00 0.52 0.00 0.00 54.79 51.67 2jty n ASP 29 Cb 0.08 -0.71 -0.09 0.00 -0.72 0.00 0.00 41.12 39.68 2jty n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jty s GLN 30 N -1.80 3.21 -0.47 -0.67 -2.07 -0.95 -4.91 119.66 111.99 2jty s GLN 30 Ca 0.32 -0.37 -0.09 0.00 -1.82 0.00 0.00 55.36 53.40 2jty s GLN 30 Cb 0.05 -2.91 0.12 0.00 -1.09 0.00 0.00 33.01 29.18 2jty s GLN 30 CO -0.10 0.64 0.35 0.99 -1.32 0.00 0.00 175.29 175.84 2jty s THR 31 N -0.68 4.21 -0.65 3.63 2.01 -1.26 -1.31 115.64 121.58 2jty s THR 31 Ca 0.11 -1.80 -0.24 0.00 0.31 0.00 0.00 61.69 60.08 2jty s THR 31 Cb -0.12 -3.77 0.06 0.00 0.01 0.00 0.00 72.50 68.68 2jty s THR 31 CO 0.02 -0.78 1.01 -0.69 -0.69 0.00 0.00 174.62 173.50 2jty s VAL 32 N 1.35 4.23 -0.66 3.82 1.01 -0.26 -4.93 120.40 124.96 2jty s VAL 32 Ca 0.06 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 2jty s VAL 32 Cb -0.26 -4.69 0.10 0.00 0.00 0.00 0.00 36.38 31.52 2jty s VAL 32 CO -0.01 -1.46 0.84 -1.10 0.00 0.00 0.00 175.10 173.38 2jty s GLN 33 N 4.33 3.15 0.00 2.72 -1.52 -1.26 -0.97 119.66 126.11 2jty s GLN 33 Ca 0.26 -1.26 0.24 0.00 -1.95 0.00 0.00 55.36 52.65 2jty s GLN 33 Cb -0.14 -4.34 1.13 0.00 -0.22 0.00 0.00 33.01 29.44 2jty s GLN 33 CO 0.13 -1.65 1.78 1.28 -0.25 0.00 0.00 175.29 176.57 2jty n LEU 34 N 6.72 0.00 0.00 2.90 4.77 0.64 -4.95 117.00 127.08 2jty n LEU 34 Ca -0.03 0.36 0.04 0.00 -0.03 0.00 0.00 56.01 56.35 2jty n LEU 34 Cb 0.44 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 2jty n LEU 34 CO 0.58 -0.07 -0.05 0.61 -1.33 0.00 0.00 177.39 177.13 2jty n GLY 35 N 0.81 -1.50 3.77 -0.72 0.00 -1.25 -4.78 105.19 101.52 2jty n GLY 35 Ca 0.09 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 2jty n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jty s GLN 36 N -0.48 4.59 0.12 1.61 -0.21 -1.26 -1.96 119.66 122.06 2jty s GLN 36 Ca 0.00 1.53 0.09 0.00 0.02 0.00 0.00 55.36 57.00 2jty s GLN 36 Cb 0.00 -2.98 -0.04 0.00 1.00 0.00 0.00 33.01 30.99 2jty s GLN 36 CO 0.00 0.25 -0.22 0.08 -2.12 0.00 0.00 175.29 173.28 2jty s VAL 37 N -1.39 1.84 0.10 1.09 1.01 -0.56 -4.94 120.40 117.55 2jty s VAL 37 Ca 0.48 -1.64 -0.25 0.00 0.00 0.00 0.00 61.98 60.57 2jty s VAL 37 Cb -0.25 -1.69 -0.07 0.00 0.00 0.00 0.00 36.38 34.38 2jty s VAL 37 CO 0.31 -0.07 0.75 -0.13 0.00 0.00 0.00 175.10 175.96 2jty s ARG 38 N -2.07 4.50 0.64 2.72 1.81 -1.26 -0.39 118.95 124.90 2jty s ARG 38 Ca 0.09 1.07 0.39 0.00 -1.72 0.00 0.00 55.73 55.57 2jty s ARG 38 Cb -0.09 -3.30 2.20 0.00 -0.45 0.00 0.00 34.95 33.30 2jty s ARG 38 CO 0.05 0.46 2.32 1.79 -0.68 0.00 0.00 175.30 179.24 2jty h THR 39 N 3.68 0.18 -0.59 0.02 1.35 -1.50 -2.17 112.91 113.89 2jty h THR 39 Ca -0.46 -0.03 0.12 0.00 -0.55 0.00 0.00 66.41 65.49 2jty h THR 39 Cb 1.21 1.02 -0.10 0.00 -1.73 0.00 0.00 68.15 68.55 2jty h THR 39 CO 0.68 0.00 -0.04 0.00 -0.25 0.00 0.00 175.52 175.91 2jty h ALA 40 N 2.00 0.52 0.00 6.62 0.00 -1.91 -1.30 119.26 125.19 2jty h ALA 40 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jty h ALA 40 Cb 0.02 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jty h ALA 40 CO 0.00 -0.41 0.00 0.43 0.00 0.00 0.00 179.25 179.27 2jty n SER 41 N -5.31 0.00 -3.17 0.00 7.64 -0.82 -4.19 113.62 107.77 2jty n SER 41 Ca 0.08 -1.52 -0.22 0.00 1.01 0.00 0.00 58.87 58.21 2jty n SER 41 Cb 0.33 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.47 2jty n SER 41 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jty n LEU 42 N -0.71 -0.37 0.00 -3.43 4.77 -0.49 -2.09 117.00 114.69 2jty n LEU 42 Ca 0.10 -4.44 0.00 0.00 -0.03 0.00 0.00 56.01 51.64 2jty n LEU 42 Cb 0.04 0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2jty n LEU 42 CO 0.07 2.02 0.01 0.00 -1.33 0.00 0.00 177.39 178.16 2jty n ALA 43 N 1.73 0.24 -2.51 -1.18 0.00 -1.24 -1.75 120.51 115.80 2jty n ALA 43 Ca 0.21 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 2jty n ALA 43 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 2jty n ALA 43 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2jty s GLN 44 N -0.08 0.95 -0.05 0.00 0.00 -1.00 -3.23 119.66 116.25 2jty s GLN 44 Ca 0.00 -1.14 -0.29 0.00 -0.00 0.00 0.00 55.36 53.93 2jty s GLN 44 Cb 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 33.01 33.27 2jty s GLN 44 CO 0.00 -0.31 1.91 -2.00 0.00 0.00 0.00 175.29 174.88 2jty s GLU 45 N -3.94 3.95 0.00 9.60 2.12 -1.26 -1.56 118.70 127.61 2jty s GLU 45 Ca 0.13 2.33 0.00 0.00 0.36 0.00 0.00 54.97 57.78 2jty s GLU 45 Cb 0.05 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.29 2jty s GLU 45 CO -0.05 -1.16 0.00 0.41 -0.54 0.00 0.00 175.26 173.93 2jty n GLY 46 N 4.67 0.58 3.76 -1.50 0.00 -0.18 -4.89 105.19 107.62 2jty n GLY 46 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2jty n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jty s ALA 47 N -2.02 2.75 0.04 4.61 0.00 -0.60 -4.85 121.76 121.68 2jty s ALA 47 Ca 0.00 1.13 -0.05 0.00 0.00 0.00 0.00 51.96 53.03 2jty s ALA 47 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 2jty s ALA 47 CO 0.00 -1.14 0.09 0.95 0.00 0.00 0.00 175.76 175.66 2jty s THR 48 N -1.46 0.14 1.02 0.00 -4.23 -0.89 -0.72 115.64 109.51 2jty s THR 48 Ca 0.72 -1.15 -0.17 0.00 -1.18 0.00 0.00 61.69 59.91 2jty s THR 48 Cb -0.34 -0.97 0.26 0.00 1.34 0.00 0.00 72.50 72.78 2jty s THR 48 CO 0.39 -0.64 0.80 -1.54 -0.54 0.00 0.00 174.62 173.10 2jty n SER 49 N 0.66 -2.45 0.32 3.99 3.41 -0.72 -4.71 113.62 114.10 2jty n SER 49 Ca -0.18 -0.92 0.19 0.00 -0.26 0.00 0.00 58.87 57.70 2jty n SER 49 Cb 0.59 -0.78 1.07 0.00 -0.26 0.00 0.00 64.21 64.83 2jty n SER 49 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2jty h SER 50 N -2.65 0.00 -3.86 4.04 0.02 -1.95 -3.47 113.55 105.67 2jty h SER 50 Ca -0.32 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.74 2jty h SER 50 Cb 1.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.49 2jty h SER 50 CO 0.20 0.00 -0.34 0.00 -1.14 0.00 0.00 176.83 175.56 2jty n ALA 51 N -2.18 -1.15 -3.22 3.77 0.00 -1.26 -5.08 120.51 111.39 2jty n ALA 51 Ca -0.03 0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.54 2jty n ALA 51 Cb 0.10 -0.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.98 2jty n ALA 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jty s VAL 52 N -2.91 0.02 -0.21 0.00 1.01 -0.35 -5.01 120.40 112.94 2jty s VAL 52 Ca 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 2jty s VAL 52 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 2jty s VAL 52 CO 0.00 -0.07 0.36 -0.83 0.00 0.00 0.00 175.10 174.56 2jty s GLY 53 N -0.22 2.07 0.25 4.51 0.00 -1.26 -0.60 107.32 112.07 2jty s GLY 53 Ca -0.04 -0.58 0.10 0.00 0.00 0.00 0.00 44.72 44.21 2jty s GLY 53 CO 0.01 0.75 -0.09 -0.11 0.00 0.00 0.00 173.10 173.67 2jty s PHE 54 N 1.27 2.55 0.34 1.90 -0.12 -0.97 -4.98 117.98 117.97 2jty s PHE 54 Ca 0.17 -0.26 0.03 0.00 -0.05 0.00 0.00 56.93 56.83 2jty s PHE 54 Cb -0.15 -1.15 -0.04 0.00 -0.63 0.00 0.00 43.02 41.05 2jty s PHE 54 CO 0.07 0.62 0.11 -0.80 -0.05 0.00 0.00 175.22 175.17 2jty s ASN 55 N -3.40 2.21 -0.25 1.98 -0.87 -1.26 -0.22 114.94 113.12 2jty s ASN 55 Ca 0.29 -1.53 0.02 0.00 -1.57 0.00 0.00 52.86 50.08 2jty s ASN 55 Cb -0.07 0.27 0.06 0.00 -0.02 0.00 0.00 41.25 41.49 2jty s ASN 55 CO 0.17 -0.80 -0.09 -0.63 -2.57 0.00 0.00 177.10 173.18 2jty s ILE 56 N -3.39 1.99 -0.48 0.60 -1.09 -0.04 -4.95 121.20 113.84 2jty s ILE 56 Ca 0.32 -1.54 -0.27 0.00 -2.23 0.00 0.00 60.65 56.94 2jty s ILE 56 Cb 0.06 -2.15 0.03 0.00 -1.58 0.00 0.00 42.46 38.81 2jty s ILE 56 CO 0.15 -0.06 1.01 -1.58 -1.23 0.00 0.00 174.94 173.23 2jty s GLN 57 N 1.18 3.57 -0.40 2.79 -0.44 -1.26 -2.55 119.66 122.55 2jty s GLN 57 Ca -0.08 0.25 -0.09 0.00 -2.50 0.00 0.00 55.36 52.94 2jty s GLN 57 Cb -0.20 -3.94 0.06 0.00 -1.64 0.00 0.00 33.01 27.30 2jty s GLN 57 CO -0.05 -1.33 0.23 -0.51 0.50 0.00 0.00 175.29 174.13 2jty s LEU 58 N 4.07 4.95 0.46 3.68 1.02 0.16 -1.69 118.68 131.32 2jty s LEU 58 Ca 0.40 -1.35 -0.07 0.00 0.02 0.00 0.00 54.13 53.13 2jty s LEU 58 Cb -0.09 -1.98 -0.04 0.00 0.02 0.00 0.00 46.19 44.10 2jty s LEU 58 CO 0.27 -0.48 0.78 0.20 0.02 0.00 0.00 176.35 177.14 2jty s ASN 59 N 1.90 6.33 -0.84 2.29 0.01 -1.26 -1.51 114.94 121.86 2jty s ASN 59 Ca 0.02 0.98 -0.18 0.00 -0.71 0.00 0.00 52.86 52.97 2jty s ASN 59 Cb -0.22 -2.27 0.03 0.00 0.41 0.00 0.00 41.25 39.20 2jty s ASN 59 CO 0.03 -0.53 0.34 -0.67 -1.51 0.00 0.00 177.10 174.77 2jty n ASP 60 N -1.99 -1.92 -4.77 -1.22 2.03 -0.59 -0.71 116.55 107.39 2jty n ASP 60 Ca 0.01 -0.85 -0.40 0.00 0.52 0.00 0.00 54.79 54.07 2jty n ASP 60 Cb 0.55 -1.03 -0.00 0.00 -0.72 0.00 0.00 41.12 39.92 2jty n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jty s ASP 62 N -0.63 3.03 0.00 0.00 2.15 -0.71 -1.54 116.67 118.97 2jty s ASP 62 Ca 0.57 -0.53 0.24 0.00 0.43 0.00 0.00 52.55 53.26 2jty s ASP 62 Cb -0.40 -1.13 0.33 0.00 -0.30 0.00 0.00 42.92 41.43 2jty s ASP 62 CO 0.52 0.19 1.29 0.35 -0.17 0.00 0.00 175.17 177.36 2jty n THR 63 N 3.26 0.00 -0.04 1.71 -2.24 -1.26 -3.75 114.28 111.96 2jty n THR 63 Ca -0.18 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 2jty n THR 63 Cb 0.53 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 69.16 2jty n THR 63 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2jty h ASN 64 N 0.17 0.25 -0.06 3.42 2.35 -1.96 -3.17 115.58 116.57 2jty h ASN 64 Ca 0.00 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.38 2jty h ASN 64 Cb 0.51 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 2jty h ASN 64 CO 0.00 0.55 0.01 1.62 -1.65 0.00 0.00 177.43 177.96 2jty h VAL 65 N -0.06 1.21 -1.52 2.81 3.04 -1.86 -3.41 116.25 116.45 2jty h VAL 65 Ca 0.03 -0.64 0.05 0.00 -1.01 0.00 0.00 66.70 65.13 2jty h VAL 65 Cb 0.44 1.53 -0.22 0.00 -2.01 0.00 0.00 31.29 31.03 2jty h VAL 65 CO 0.01 0.18 -0.25 0.00 -1.01 0.00 0.00 177.57 176.50 2jty s ALA 66 N -5.17 -2.01 -1.78 3.17 0.00 -1.23 -3.42 121.76 111.32 2jty s ALA 66 Ca -0.14 1.91 0.26 0.00 0.00 0.00 0.00 51.96 53.99 2jty s ALA 66 Cb 0.05 -1.94 1.47 0.00 0.00 0.00 0.00 23.12 22.70 2jty s ALA 66 CO 0.68 -1.15 1.91 0.43 0.00 0.00 0.00 175.76 177.63 2jty n SER 67 N 5.43 0.00 -4.19 0.00 7.64 -0.17 -4.20 113.62 118.13 2jty n SER 67 Ca -0.05 -0.54 -0.11 0.00 1.01 0.00 0.00 58.87 59.17 2jty n SER 67 Cb 0.50 -0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 2jty n SER 67 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jty s LYS 68 N -2.22 1.00 -0.08 1.43 1.02 0.24 -0.24 119.74 120.89 2jty s LYS 68 Ca 0.34 -1.47 -0.08 0.00 0.02 0.00 0.00 55.97 54.78 2jty s LYS 68 Cb 0.18 0.00 0.02 0.00 -0.52 0.00 0.00 37.83 37.51 2jty s LYS 68 CO 0.34 -0.19 0.21 0.00 -0.92 0.00 0.00 175.35 174.79 2jty s ALA 69 N -3.86 -0.53 0.36 5.17 0.00 -0.08 -2.17 121.76 120.65 2jty s ALA 69 Ca 0.23 0.58 0.09 0.00 0.00 0.00 0.00 51.96 52.86 2jty s ALA 69 Cb 0.07 -0.34 -0.07 0.00 0.00 0.00 0.00 23.12 22.79 2jty s ALA 69 CO 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 175.76 175.61 2jty s ALA 70 N 0.06 3.03 0.19 0.00 0.00 0.54 -1.07 121.76 124.51 2jty s ALA 70 Ca -0.01 -2.13 0.08 0.00 0.00 0.00 0.00 51.96 49.91 2jty s ALA 70 Cb -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2jty s ALA 70 CO 0.00 0.03 -0.16 0.08 0.00 0.00 0.00 175.76 175.72 2jty s VAL 71 N -2.62 1.80 0.24 0.00 1.01 -1.26 -0.75 120.40 118.82 2jty s VAL 71 Ca 0.33 -2.09 0.02 0.00 0.00 0.00 0.00 61.98 60.25 2jty s VAL 71 Cb 0.04 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 2jty s VAL 71 CO 0.17 -0.47 0.04 0.00 0.00 0.00 0.00 175.10 174.85 2jty s ALA 72 N -2.55 1.78 0.12 5.51 0.00 -1.04 -1.72 121.76 123.86 2jty s ALA 72 Ca 0.20 -1.82 0.05 0.00 0.00 0.00 0.00 51.96 50.39 2jty s ALA 72 Cb -0.03 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 2jty s ALA 72 CO 0.07 -0.35 -0.12 -0.06 0.00 0.00 0.00 175.76 175.30 2jty s PHE 73 N -3.57 1.28 -0.15 0.00 0.40 -1.26 -0.59 117.98 114.08 2jty s PHE 73 Ca 0.32 -0.62 -0.11 0.00 -0.60 0.00 0.00 56.93 55.93 2jty s PHE 73 Cb 0.07 -0.67 0.05 0.00 0.51 0.00 0.00 43.02 42.98 2jty s PHE 73 CO 0.11 0.10 0.39 -1.17 0.70 0.00 0.00 175.22 175.34 2jty s LEU 74 N -2.59 0.20 0.16 -0.37 2.96 -0.67 -0.75 118.68 117.61 2jty s LEU 74 Ca 0.09 0.82 -0.24 0.00 -0.22 0.00 0.00 54.13 54.58 2jty s LEU 74 Cb -0.03 1.29 0.07 0.00 0.50 0.00 0.00 46.19 48.02 2jty s LEU 74 CO 0.02 -0.17 1.00 -0.83 -1.32 0.00 0.00 176.35 175.05 2jty s GLY 75 N 0.91 -0.13 0.06 7.98 0.00 -1.26 -1.88 107.32 112.99 2jty s GLY 75 Ca -0.06 0.01 -0.34 0.00 0.00 0.00 0.00 44.72 44.34 2jty s GLY 75 CO -0.07 0.68 1.71 2.41 0.00 0.00 0.00 173.10 177.83 2jty n THR 76 N -0.54 0.25 -2.49 0.90 -1.04 -1.26 -4.95 114.28 105.16 2jty n THR 76 Ca -0.05 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.51 2jty n THR 76 Cb 0.60 -1.69 -0.04 0.00 -1.82 0.00 0.00 70.33 67.38 2jty n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jty s ALA 77 N 2.27 3.40 0.28 2.41 0.00 -1.26 -1.13 121.76 127.73 2jty s ALA 77 Ca 0.85 0.89 -0.01 0.00 0.00 0.00 0.00 51.96 53.69 2jty s ALA 77 Cb -0.68 -3.32 0.48 0.00 0.00 0.00 0.00 23.12 19.60 2jty s ALA 77 CO 0.43 -0.15 1.89 0.97 0.00 0.00 0.00 175.76 178.91 2jty h ILE 78 N 3.12 1.06 -2.96 0.00 2.10 -1.07 -3.40 117.51 116.35 2jty h ILE 78 Ca -0.47 -0.38 0.01 0.00 1.08 0.00 0.00 64.86 65.10 2jty h ILE 78 Cb 1.21 -0.13 -0.01 0.00 -1.09 0.00 0.00 36.82 36.80 2jty h ILE 78 CO 0.67 0.20 0.29 -0.62 -1.08 0.00 0.00 178.15 177.61 2jty s ASP 79 N -5.93 -0.03 0.19 2.19 -1.08 -1.26 -4.90 116.67 105.86 2jty s ASP 79 Ca -0.12 -1.05 -0.05 0.00 -0.52 0.00 0.00 52.55 50.81 2jty s ASP 79 Cb 0.20 0.81 0.12 0.00 -1.46 0.00 0.00 42.92 42.60 2jty s ASP 79 CO 0.81 -1.60 1.57 0.00 0.52 0.00 0.00 175.17 176.46 2jty h ALA 80 N 2.00 0.77 0.00 3.66 0.00 -2.00 -2.75 119.26 120.94 2jty h ALA 80 Ca -0.30 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2jty h ALA 80 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2jty h ALA 80 CO 0.38 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.69 2jty n GLY 81 N -0.05 -0.90 2.66 0.00 0.00 -1.26 -3.84 105.19 101.80 2jty n GLY 81 Ca -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2jty n GLY 81 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jty n HIS 82 N -0.74 -0.14 0.39 1.61 8.25 -1.04 -4.89 115.22 118.66 2jty n HIS 82 Ca 0.10 -2.52 0.05 0.00 -0.26 0.00 0.00 57.72 55.09 2jty n HIS 82 Cb 0.05 0.31 0.23 0.00 1.12 0.00 0.00 29.99 31.70 2jty n HIS 82 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2jty n THR 83 N -0.22 1.15 0.85 1.59 -2.24 -1.22 -1.27 114.28 112.91 2jty n THR 83 Ca 0.05 0.29 0.13 0.00 -2.27 0.00 0.00 64.05 62.26 2jty n THR 83 Cb 0.82 -1.11 0.47 0.00 -2.10 0.00 0.00 70.33 68.42 2jty n THR 83 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jty n ASN 84 N -1.44 0.37 -4.15 3.42 4.13 -1.26 -2.49 115.26 113.84 2jty n ASN 84 Ca 0.03 0.41 -0.26 0.00 1.68 0.00 0.00 54.58 56.44 2jty n ASN 84 Cb 0.11 -0.46 -0.16 0.00 -1.54 0.00 0.00 39.78 37.73 2jty n ASN 84 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2jty s VAL 85 N -3.05 1.45 0.57 2.41 1.01 -0.40 -4.59 120.40 117.81 2jty s VAL 85 Ca 0.12 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 2jty s VAL 85 Cb 0.16 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 2jty s VAL 85 CO 0.59 0.42 1.02 -0.76 0.00 0.00 0.00 175.10 176.36 2jty s LEU 86 N -0.07 3.47 -0.16 3.92 1.43 0.34 -0.82 118.68 126.80 2jty s LEU 86 Ca -0.01 1.62 0.11 0.00 -1.03 0.00 0.00 54.13 54.81 2jty s LEU 86 Cb -0.11 -4.51 0.60 0.00 0.03 0.00 0.00 46.19 42.20 2jty s LEU 86 CO 0.02 -0.89 1.42 0.00 0.23 0.00 0.00 176.35 177.13 2jty n ALA 87 N -2.06 3.45 -0.76 4.21 0.00 -0.29 -2.87 120.51 122.19 2jty n ALA 87 Ca 0.07 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.14 2jty n ALA 87 Cb 0.54 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2jty n ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jty n LEU 88 N 0.50 0.00 0.00 0.00 4.77 -1.26 -4.90 117.00 116.11 2jty n LEU 88 Ca 0.20 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.09 2jty n LEU 88 Cb 0.92 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.00 2jty n LEU 88 CO 0.23 -0.26 0.20 0.00 -1.33 0.00 0.00 177.39 176.23 2jty n GLN 89 N 0.00 0.60 0.00 3.23 10.64 0.51 -4.61 117.38 127.75 2jty n GLN 89 Ca 0.00 -1.88 0.00 0.00 -1.83 0.00 0.00 57.00 53.29 2jty n GLN 89 Cb 0.00 1.95 0.00 0.00 -0.86 0.00 0.00 30.24 31.33 2jty n GLN 89 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2jty n SER 90 N -1.65 0.00 -4.38 2.61 2.88 -1.26 -4.35 113.62 107.46 2jty n SER 90 Ca -0.02 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.39 2jty n SER 90 Cb 0.42 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.76 2jty n SER 90 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jty n SER 91 N 0.69 -0.67 0.00 -3.46 7.64 -1.26 -4.75 113.62 111.81 2jty n SER 91 Ca 0.00 -1.20 0.01 0.00 1.01 0.00 0.00 58.87 58.69 2jty n SER 91 Cb 0.00 -0.91 0.06 0.00 -1.01 0.00 0.00 64.21 62.35 2jty n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jty n ALA 92 N 9.48 1.79 -1.50 -0.43 0.00 -1.26 -0.42 120.51 128.17 2jty n ALA 92 Ca 0.42 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.88 2jty n ALA 92 Cb 0.33 -1.03 0.04 0.00 0.00 0.00 0.00 19.45 18.79 2jty n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jty n ALA 93 N -0.61 1.94 0.00 0.00 0.00 -1.26 -4.90 120.51 115.68 2jty n ALA 93 Ca 0.01 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.08 2jty n ALA 93 Cb 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.08 2jty n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jty n GLY 94 N -0.42 0.00 3.35 0.00 0.00 -0.47 -5.11 105.19 102.54 2jty n GLY 94 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2jty n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jty s SER 95 N -0.66 -0.50 0.74 1.61 0.01 0.43 -4.00 113.70 111.33 2jty s SER 95 Ca 0.00 1.14 -0.15 0.00 1.31 0.00 0.00 55.95 58.25 2jty s SER 95 Cb 0.00 -1.70 0.05 0.00 0.21 0.00 0.00 66.02 64.58 2jty s SER 95 CO 0.00 -5.06 1.23 0.00 0.41 0.00 0.00 173.24 169.82 2jty s ALA 96 N -2.28 2.06 0.34 1.44 0.00 0.56 -4.52 121.76 119.37 2jty s ALA 96 Ca 0.69 0.94 0.09 0.00 0.00 0.00 0.00 51.96 53.67 2jty s ALA 96 Cb -0.19 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 2jty s ALA 96 CO 0.61 -1.98 0.01 0.95 0.00 0.00 0.00 175.76 175.36 2jty s THR 97 N -1.92 2.66 -1.87 0.00 -4.23 -1.26 -4.70 115.64 104.32 2jty s THR 97 Ca 0.76 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 2jty s THR 97 Cb -0.31 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.73 2jty s THR 97 CO 0.46 -0.20 0.00 0.59 -0.54 0.00 0.00 174.62 174.93 2jty n ASN 98 N -0.96 -4.76 -4.03 3.99 3.02 -1.26 -2.52 115.26 108.74 2jty n ASN 98 Ca -0.04 0.41 -0.10 0.00 -0.03 0.00 0.00 54.58 54.82 2jty n ASN 98 Cb 0.62 -4.24 -0.11 0.00 -0.61 0.00 0.00 39.78 35.44 2jty n ASN 98 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jty s VAL 99 N -2.55 0.31 0.34 2.41 0.11 -1.26 -0.93 120.40 118.83 2jty s VAL 99 Ca 0.00 -1.16 -0.06 0.00 -2.93 0.00 0.00 61.98 57.84 2jty s VAL 99 Cb 0.00 -0.64 0.01 0.00 -1.53 0.00 0.00 36.38 34.22 2jty s VAL 99 CO 0.00 -0.55 0.53 -0.83 -3.33 0.00 0.00 175.10 170.92 2jty s GLY 100 N -1.81 1.22 0.33 6.54 0.00 -0.26 -4.68 107.32 108.67 2jty s GLY 100 Ca -0.09 -1.34 -0.06 0.00 0.00 0.00 0.00 44.72 43.23 2jty s GLY 100 CO -0.02 -0.85 0.62 -1.34 0.00 0.00 0.00 173.10 171.51 2jty s VAL 101 N -2.98 4.96 0.31 1.40 -7.23 -1.14 -0.24 120.40 115.48 2jty s VAL 101 Ca 0.27 0.20 0.05 0.00 -1.81 0.00 0.00 61.98 60.69 2jty s VAL 101 Cb -0.01 -3.74 -0.06 0.00 0.56 0.00 0.00 36.38 33.12 2jty s VAL 101 CO 0.18 -0.40 0.00 -1.10 -0.31 0.00 0.00 175.10 173.47 2jty s GLN 102 N -3.70 1.62 -0.05 4.82 -0.21 0.47 -0.50 119.66 122.11 2jty s GLN 102 Ca 0.46 -1.87 0.02 0.00 0.02 0.00 0.00 55.36 53.99 2jty s GLN 102 Cb -0.11 -1.05 0.02 0.00 1.00 0.00 0.00 33.01 32.87 2jty s GLN 102 CO 0.31 -0.07 -0.09 0.42 -2.12 0.00 0.00 175.29 173.74 2jty s ILE 103 N -3.12 0.88 -0.01 1.08 1.09 -1.26 -2.69 121.20 117.17 2jty s ILE 103 Ca 0.33 -0.34 0.07 0.00 -1.10 0.00 0.00 60.65 59.61 2jty s ILE 103 Cb 0.07 -0.83 -0.02 0.00 -1.06 0.00 0.00 42.46 40.62 2jty s ILE 103 CO 0.14 0.30 -0.23 -0.76 -0.10 0.00 0.00 174.94 174.28 2jty s LEU 104 N 0.69 2.07 1.20 2.97 1.43 0.28 -1.22 118.68 126.09 2jty s LEU 104 Ca -0.12 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.39 2jty s LEU 104 Cb -0.15 -1.18 0.29 0.00 0.03 0.00 0.00 46.19 45.18 2jty s LEU 104 CO 0.02 0.27 1.02 1.51 0.23 0.00 0.00 176.35 179.40 2jty s ASP 105 N -0.66 0.75 0.59 2.29 1.47 -0.42 -1.57 116.67 119.10 2jty s ASP 105 Ca 0.09 1.30 0.29 0.00 1.18 0.00 0.00 52.55 55.41 2jty s ASP 105 Cb -0.09 -2.01 1.51 0.00 -0.34 0.00 0.00 42.92 41.99 2jty s ASP 105 CO -0.00 -4.31 1.94 0.08 0.68 0.00 0.00 175.17 173.55 2jty h ARG 106 N -2.70 0.00 0.00 2.11 0.11 -1.90 0.11 114.38 112.10 2jty h ARG 106 Ca -0.58 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.44 2jty h ARG 106 Cb 1.34 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.41 2jty h ARG 106 CO 0.48 0.00 -0.28 1.79 0.10 0.00 0.00 179.97 182.05 2jty h THR 107 N 0.00 0.58 0.00 0.08 1.35 -1.93 -3.47 112.91 109.51 2jty h THR 107 Ca 0.19 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 2jty h THR 107 Cb 1.04 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 2jty h THR 107 CO -0.00 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 2jty n GLY 108 N 0.60 0.94 3.72 5.82 0.00 0.38 -5.10 105.19 111.56 2jty n GLY 108 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2jty n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jty s ALA 109 N -2.00 3.33 -0.09 4.61 0.00 -1.25 -4.80 121.76 121.56 2jty s ALA 109 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 2jty s ALA 109 Cb 0.00 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 2jty s ALA 109 CO 0.00 -0.06 1.52 0.00 0.00 0.00 0.00 175.76 177.21 2jty s ALA 110 N 0.57 3.63 0.59 0.00 0.00 -1.26 -1.31 121.76 123.98 2jty s ALA 110 Ca 0.39 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 52.98 2jty s ALA 110 Cb -0.19 -3.70 -0.05 0.00 0.00 0.00 0.00 23.12 19.18 2jty s ALA 110 CO 0.20 -1.32 1.02 -0.51 0.00 0.00 0.00 175.76 175.16 2jty s LEU 111 N 3.85 3.39 -0.03 0.00 1.43 -0.36 -4.96 118.68 122.00 2jty s LEU 111 Ca 0.67 1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 55.28 2jty s LEU 111 Cb -0.29 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.39 2jty s LEU 111 CO 0.24 -0.87 0.16 -0.89 0.23 0.00 0.00 176.35 175.22 2jty s THR 112 N -2.88 5.34 -1.28 5.49 2.01 -1.26 -4.75 115.64 118.30 2jty s THR 112 Ca 0.58 -0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.34 2jty s THR 112 Cb -0.12 -3.46 0.16 0.00 0.01 0.00 0.00 72.50 69.10 2jty s THR 112 CO 0.44 0.38 1.85 0.18 -0.69 0.00 0.00 174.62 176.78 2jty n LEU 113 N 1.16 6.56 -0.00 4.42 4.77 -1.04 -4.40 117.00 128.47 2jty n LEU 113 Ca -0.13 -4.62 0.02 0.00 -0.03 0.00 0.00 56.01 51.25 2jty n LEU 113 Cb 0.53 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.11 2jty n LEU 113 CO 0.41 1.33 -0.00 0.47 -1.33 0.00 0.00 177.39 178.26 2jty n ASP 114 N 4.03 0.19 0.00 -1.43 9.92 -1.12 -4.56 116.55 123.59 2jty n ASP 114 Ca 0.40 -0.60 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 2jty n ASP 114 Cb 0.37 0.98 0.00 0.00 -0.64 0.00 0.00 41.12 41.83 2jty n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jty n GLY 115 N 1.07 2.62 0.00 0.44 0.00 0.07 -4.71 105.19 104.69 2jty n GLY 115 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2jty n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jty n ALA 116 N 0.14 1.32 -1.92 4.61 0.00 -1.26 -4.65 120.51 118.75 2jty n ALA 116 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 2jty n ALA 116 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2jty n ALA 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jty s THR 117 N -0.53 3.32 0.96 0.00 2.01 -1.26 -4.96 115.64 115.18 2jty s THR 117 Ca 0.00 -0.21 -0.11 0.00 0.31 0.00 0.00 61.69 61.68 2jty s THR 117 Cb 0.00 -3.73 0.17 0.00 0.01 0.00 0.00 72.50 68.95 2jty s THR 117 CO 0.00 -0.69 1.09 0.72 -0.69 0.00 0.00 174.62 175.05 2jty s PHE 118 N 11.16 1.89 0.24 4.92 -0.71 -1.26 -4.24 117.98 129.98 2jty s PHE 118 Ca 0.76 1.42 0.03 0.00 -1.04 0.00 0.00 56.93 58.10 2jty s PHE 118 Cb -0.09 -3.19 -0.01 0.00 -1.21 0.00 0.00 43.02 38.52 2jty s PHE 118 CO 0.05 -2.84 0.12 -1.13 -1.34 0.00 0.00 175.22 170.08 2jty n SER 119 N -4.22 0.63 -2.71 1.98 3.41 -0.70 -4.94 113.62 107.06 2jty n SER 119 Ca 0.08 -2.35 -0.38 0.00 -0.26 0.00 0.00 58.87 55.95 2jty n SER 119 Cb 0.54 0.76 -0.07 0.00 -0.26 0.00 0.00 64.21 65.18 2jty n SER 119 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2jty n SER 120 N -1.88 0.55 -4.59 4.04 2.88 -1.26 -4.48 113.62 108.87 2jty n SER 120 Ca -0.01 0.51 -0.42 0.00 -1.33 0.00 0.00 58.87 57.62 2jty n SER 120 Cb 0.38 -0.55 -0.02 0.00 -0.75 0.00 0.00 64.21 63.26 2jty n SER 120 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2jty s GLU 121 N 3.17 3.42 -0.39 -1.46 2.02 -1.26 -4.56 118.70 119.63 2jty s GLU 121 Ca 0.71 0.95 -0.28 0.00 0.02 0.00 0.00 54.97 56.38 2jty s GLU 121 Cb -0.93 -4.10 0.02 0.00 0.10 0.00 0.00 34.13 29.22 2jty s GLU 121 CO 0.44 -1.77 1.02 0.99 0.02 0.00 0.00 175.26 175.96 2jty s THR 122 N 6.10 4.45 0.01 3.63 2.01 -0.23 -4.91 115.64 126.69 2jty s THR 122 Ca 0.64 1.30 -0.32 0.00 0.31 0.00 0.00 61.69 63.63 2jty s THR 122 Cb -0.15 -4.44 -0.10 0.00 0.01 0.00 0.00 72.50 67.81 2jty s THR 122 CO 0.31 -0.68 1.91 0.41 -0.69 0.00 0.00 174.62 175.88 2jty n THR 123 N 6.23 0.63 -0.86 -0.82 -1.04 -1.26 -0.90 114.28 116.25 2jty n THR 123 Ca 0.10 -0.11 -0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2jty n THR 123 Cb 0.48 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 66.88 2jty n THR 123 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2jty n LEU 124 N 6.85 0.00 -3.74 -4.42 4.77 0.67 -4.94 117.00 116.19 2jty n LEU 124 Ca 0.21 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 56.08 2jty n LEU 124 Cb 0.36 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.39 2jty n LEU 124 CO 0.70 -0.65 0.10 0.54 -1.33 0.00 0.00 177.39 176.74 2jty s ASN 125 N -1.17 -0.12 0.35 -1.43 4.22 -1.26 -4.92 114.94 110.61 2jty s ASN 125 Ca 0.00 -0.49 -0.28 0.00 -2.14 0.00 0.00 52.86 49.95 2jty s ASN 125 Cb -0.00 0.45 -0.10 0.00 1.28 0.00 0.00 41.25 42.88 2jty s ASN 125 CO 0.00 -0.86 1.37 0.20 -2.04 0.00 0.00 177.10 175.77 2jty s ASN 126 N -2.85 6.58 0.00 3.54 -0.87 -1.26 -4.44 114.94 115.64 2jty s ASN 126 Ca 0.06 2.82 0.00 0.00 -1.57 0.00 0.00 52.86 54.17 2jty s ASN 126 Cb 0.02 -2.66 0.00 0.00 -0.02 0.00 0.00 41.25 38.60 2jty s ASN 126 CO -0.09 -0.68 0.00 0.61 -2.57 0.00 0.00 177.10 174.37 2jty n GLY 127 N 0.67 0.91 3.19 0.66 0.00 -0.59 -4.91 105.19 105.13 2jty n GLY 127 Ca 0.01 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 2jty n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jty s THR 128 N 0.00 1.50 0.02 2.61 2.01 -1.26 -0.17 115.64 120.35 2jty s THR 128 Ca 0.00 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.15 2jty s THR 128 Cb 0.00 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 2jty s THR 128 CO 0.00 0.43 0.05 0.20 -0.69 0.00 0.00 174.62 174.61 2jty s ASN 129 N -0.44 0.18 -0.07 3.53 0.01 -0.57 -4.81 114.94 112.78 2jty s ASN 129 Ca 0.07 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 51.76 2jty s ASN 129 Cb -0.07 0.17 0.02 0.00 0.41 0.00 0.00 41.25 41.78 2jty s ASN 129 CO -0.01 -0.40 -0.05 -0.89 -1.51 0.00 0.00 177.10 174.25 2jty s THR 130 N -1.91 0.69 -0.33 1.60 2.01 -1.26 -0.66 115.64 115.77 2jty s THR 130 Ca -0.11 -0.14 -0.24 0.00 0.31 0.00 0.00 61.69 61.51 2jty s THR 130 Cb -0.06 -0.74 0.01 0.00 0.01 0.00 0.00 72.50 71.72 2jty s THR 130 CO -0.02 0.29 0.83 -0.63 -0.69 0.00 0.00 174.62 174.40 2jty s ILE 131 N 1.41 4.73 0.58 1.82 1.01 -1.06 -4.92 121.20 124.78 2jty s ILE 131 Ca -0.02 1.15 -0.15 0.00 0.00 0.00 0.00 60.65 61.63 2jty s ILE 131 Cb -0.13 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2jty s ILE 131 CO -0.03 -0.35 1.03 -2.16 0.00 0.00 0.00 174.94 173.43 2jty s PRO 132 N 3.11 3.51 0.25 2.79 0.04 -1.26 -0.87 135.00 142.57 2jty s PRO 132 Ca 0.34 1.03 0.02 0.00 0.04 0.00 0.00 61.00 62.42 2jty s PRO 132 Cb -0.13 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 2jty s PRO 132 CO 0.15 -0.64 0.17 -0.06 0.04 0.00 0.00 177.00 176.65 2jty s PHE 133 N -2.68 1.38 0.20 0.56 0.08 0.69 -3.91 117.98 114.29 2jty s PHE 133 Ca 0.60 -1.43 0.10 0.00 0.12 0.00 0.00 56.93 56.32 2jty s PHE 133 Cb -0.13 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.62 2jty s PHE 133 CO 0.40 -0.66 -0.21 -0.65 -0.10 0.00 0.00 175.22 174.00 2jty s GLN 134 N -3.94 1.46 0.03 0.44 1.11 -0.61 -2.30 119.66 115.85 2jty s GLN 134 Ca 0.39 -1.54 0.01 0.00 0.01 0.00 0.00 55.36 54.23 2jty s GLN 134 Cb 0.06 -1.62 -0.02 0.00 -1.01 0.00 0.00 33.01 30.41 2jty s GLN 134 CO 0.16 0.33 -0.06 0.00 0.01 0.00 0.00 175.29 175.74 2jty s ALA 135 N -2.03 0.38 0.01 6.09 0.00 0.24 -0.56 121.76 125.89 2jty s ALA 135 Ca 0.21 -0.66 -0.28 0.00 0.00 0.00 0.00 51.96 51.23 2jty s ALA 135 Cb -0.06 0.08 0.08 0.00 0.00 0.00 0.00 23.12 23.21 2jty s ALA 135 CO 0.10 -0.07 0.69 -0.98 0.00 0.00 0.00 175.76 175.50 2jty s ARG 136 N -1.44 1.08 0.17 0.00 1.70 -1.09 -1.22 118.95 118.16 2jty s ARG 136 Ca -0.12 -0.01 -0.30 0.00 -0.47 0.00 0.00 55.73 54.83 2jty s ARG 136 Cb -0.09 0.51 -0.08 0.00 -0.57 0.00 0.00 34.95 34.71 2jty s ARG 136 CO -0.00 -0.39 1.31 0.71 -1.08 0.00 0.00 175.30 175.84 2jty s TYR 137 N -2.09 3.28 -0.18 5.89 2.02 -1.26 -0.40 117.35 124.61 2jty s TYR 137 Ca -0.06 1.19 -0.02 0.00 -0.37 0.00 0.00 57.07 57.81 2jty s TYR 137 Cb -0.00 -3.59 -0.01 0.00 -0.40 0.00 0.00 41.96 37.95 2jty s TYR 137 CO 0.01 -1.89 -0.09 0.12 -1.57 0.00 0.00 175.55 172.13 2jty s PHE 138 N 0.35 2.89 0.17 2.71 2.19 0.67 -1.76 117.98 125.21 2jty s PHE 138 Ca 0.58 -0.82 -0.22 0.00 0.33 0.00 0.00 56.93 56.80 2jty s PHE 138 Cb -0.36 -1.98 -0.08 0.00 -1.31 0.00 0.00 43.02 39.30 2jty s PHE 138 CO 0.36 -0.39 0.73 0.00 1.83 0.00 0.00 175.22 177.75 2jty s ALA 139 N 0.92 3.46 -1.30 11.12 0.00 0.10 -1.11 121.76 134.94 2jty s ALA 139 Ca -0.02 0.24 0.17 0.00 0.00 0.00 0.00 51.96 52.35 2jty s ALA 139 Cb -0.15 -2.86 0.50 0.00 0.00 0.00 0.00 23.12 20.62 2jty s ALA 139 CO 0.00 0.32 1.42 0.25 0.00 0.00 0.00 175.76 177.75 2jty n THR 140 N 1.29 1.18 -1.38 0.00 -2.24 -0.10 -1.02 114.28 112.01 2jty n THR 140 Ca -0.05 -1.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 2jty n THR 140 Cb 0.50 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 2jty n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jty n GLY 141 N 0.97 -0.57 3.56 3.38 0.00 -1.24 -4.01 105.19 107.27 2jty n GLY 141 Ca 0.19 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 2jty n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jty s ALA 142 N -1.00 1.22 0.99 4.61 0.00 -1.20 -2.36 121.76 124.03 2jty s ALA 142 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 2jty s ALA 142 Cb 0.00 -4.49 0.19 0.00 0.00 0.00 0.00 23.12 18.82 2jty s ALA 142 CO 0.00 -5.18 1.10 0.00 0.00 0.00 0.00 175.76 171.68 2jty s ALA 143 N 12.87 1.05 0.09 0.00 0.00 -0.72 -4.70 121.76 130.34 2jty s ALA 143 Ca 0.88 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.43 2jty s ALA 143 Cb -0.13 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2jty s ALA 143 CO 0.13 -2.79 -0.06 0.95 0.00 0.00 0.00 175.76 173.99 2jty s THR 144 N -3.03 0.61 1.06 0.00 -4.23 -1.05 -4.88 115.64 104.11 2jty s THR 144 Ca 0.65 -1.85 -0.17 0.00 -1.18 0.00 0.00 61.69 59.15 2jty s THR 144 Cb -0.18 -1.57 0.23 0.00 1.34 0.00 0.00 72.50 72.32 2jty s THR 144 CO 0.57 -0.85 1.21 -2.16 -0.54 0.00 0.00 174.62 172.85 2jty s PRO 145 N -3.66 -0.10 0.00 3.99 0.05 -1.26 -4.26 135.00 129.75 2jty s PRO 145 Ca 0.09 -0.19 0.00 0.00 0.05 0.00 0.00 61.00 60.95 2jty s PRO 145 Cb 0.04 -1.74 0.00 0.00 0.05 0.00 0.00 34.50 32.86 2jty s PRO 145 CO -0.05 -2.95 0.00 0.41 0.05 0.00 0.00 177.00 174.46 2jty n GLY 146 N -2.40 -0.05 3.08 0.56 0.00 -0.26 -3.94 105.19 102.18 2jty n GLY 146 Ca 0.13 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 2jty n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jty s ALA 147 N -1.00 0.30 -0.41 4.61 0.00 -1.26 -4.49 121.76 119.52 2jty s ALA 147 Ca 0.00 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.09 2jty s ALA 147 Cb 0.00 0.26 0.28 0.00 0.00 0.00 0.00 23.12 23.66 2jty s ALA 147 CO 0.00 -0.33 0.72 0.00 0.00 0.00 0.00 175.76 176.15 2jty n ALA 148 N 0.48 1.15 -2.70 0.00 0.00 -0.67 -0.32 120.51 118.44 2jty n ALA 148 Ca -0.17 -2.76 -0.29 0.00 0.00 0.00 0.00 53.44 50.22 2jty n ALA 148 Cb 0.60 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 2jty n ALA 148 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2jty s ASN 149 N -1.60 5.08 0.16 0.00 0.01 -1.25 -3.33 114.94 114.01 2jty s ASN 149 Ca 0.34 -0.18 -0.14 0.00 -0.71 0.00 0.00 52.86 52.17 2jty s ASN 149 Cb 0.24 -1.22 0.02 0.00 0.41 0.00 0.00 41.25 40.70 2jty s ASN 149 CO -0.12 0.16 0.40 0.00 -1.51 0.00 0.00 177.10 176.02 2jty s ALA 150 N -1.40 -0.64 -0.32 0.60 0.00 0.10 -0.37 121.76 119.74 2jty s ALA 150 Ca 0.27 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.83 2jty s ALA 150 Cb -0.11 0.77 0.11 0.00 0.00 0.00 0.00 23.12 23.90 2jty s ALA 150 CO 0.19 -0.69 0.16 0.16 0.00 0.00 0.00 175.76 175.58 2jty s ASP 151 N -2.88 3.40 0.78 0.00 -4.77 -1.26 -0.91 116.67 111.03 2jty s ASP 151 Ca 0.09 -1.66 -0.12 0.00 -3.30 0.00 0.00 52.55 47.56 2jty s ASP 151 Cb 0.01 -0.43 0.06 0.00 -1.09 0.00 0.00 42.92 41.47 2jty s ASP 151 CO -0.06 -0.39 1.14 0.00 0.70 0.00 0.00 175.17 176.57 2jty s ALA 152 N 1.66 2.64 0.33 2.11 0.00 -0.57 -4.85 121.76 123.08 2jty s ALA 152 Ca 0.12 -0.50 0.08 0.00 0.00 0.00 0.00 51.96 51.66 2jty s ALA 152 Cb -0.19 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 2jty s ALA 152 CO -0.22 -1.53 0.27 0.95 0.00 0.00 0.00 175.76 175.22 2jty s THR 153 N -3.45 3.51 0.22 0.00 -4.23 -0.79 -0.61 115.64 110.29 2jty s THR 153 Ca 0.61 -1.41 0.10 0.00 -1.18 0.00 0.00 61.69 59.81 2jty s THR 153 Cb -0.12 -3.17 -0.05 0.00 1.34 0.00 0.00 72.50 70.51 2jty s THR 153 CO 0.51 -0.18 -0.20 0.72 -0.54 0.00 0.00 174.62 174.93 2jty s PHE 154 N -2.31 2.08 0.37 3.99 -0.71 -0.09 -1.67 117.98 119.62 2jty s PHE 154 Ca 0.40 -0.41 0.08 0.00 -1.04 0.00 0.00 56.93 55.96 2jty s PHE 154 Cb -0.05 -0.97 -0.06 0.00 -1.21 0.00 0.00 43.02 40.72 2jty s PHE 154 CO 0.26 0.51 0.01 0.15 -1.34 0.00 0.00 175.22 174.81 2jty s LYS 155 N -3.15 2.01 -0.26 1.99 1.02 0.24 -0.94 119.74 120.66 2jty s LYS 155 Ca 0.23 -1.88 0.00 0.00 0.02 0.00 0.00 55.97 54.34 2jty s LYS 155 Cb -0.05 -1.82 0.07 0.00 -0.52 0.00 0.00 37.83 35.51 2jty s LYS 155 CO 0.10 0.06 0.01 0.08 -0.92 0.00 0.00 175.35 174.68 2jty s VAL 156 N -2.59 1.31 -0.87 3.17 1.01 -0.08 -2.50 120.40 119.85 2jty s VAL 156 Ca 0.35 -1.28 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 2jty s VAL 156 Cb 0.03 -1.75 0.11 0.00 0.00 0.00 0.00 36.38 34.77 2jty s VAL 156 CO 0.19 -0.30 1.12 -1.58 0.00 0.00 0.00 175.10 174.52 2jty s GLN 157 N 1.46 3.47 0.71 2.72 0.74 0.07 -1.35 119.66 127.49 2jty s GLN 157 Ca 0.00 -1.45 -0.15 0.00 0.05 0.00 0.00 55.36 53.81 2jty s GLN 157 Cb -0.18 -4.78 0.03 0.00 1.10 0.00 0.00 33.01 29.17 2jty s GLN 157 CO -0.11 -1.83 1.20 0.71 -0.55 0.00 0.00 175.29 174.71 2jty s TYR 158 N 3.30 2.13 0.27 1.67 2.02 -0.32 -0.34 117.35 126.09 2jty s TYR 158 Ca 0.31 1.59 -0.21 0.00 -0.37 0.00 0.00 57.07 58.39 2jty s TYR 158 Cb -0.07 -3.44 0.03 0.00 -0.40 0.00 0.00 41.96 38.07 2jty s TYR 158 CO -0.04 -2.48 0.75 1.14 -1.57 0.00 0.00 175.55 173.35 2jty s GLN 159 N -3.90 1.74 0.00 -0.62 -2.07 -0.92 -1.14 119.66 112.75 2jty s GLN 159 Ca 0.74 -0.97 0.00 0.00 -1.82 0.00 0.00 55.36 53.31 2jty s GLN 159 Cb -0.28 0.59 0.00 0.00 -1.09 0.00 0.00 33.01 32.22 2jty s GLN 159 CO 0.44 -0.80 0.00 0.41 -1.32 0.00 0.00 175.29 174.02 2jty n GLY 160 N -0.47 0.52 0.43 2.60 0.00 -0.87 -0.59 105.19 106.82 2jty n GLY 160 Ca -0.04 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.86 2jty n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jty n GLY 161 N -0.28 -0.14 0.00 -0.02 0.00 -1.22 -1.00 105.19 102.52 2jty n GLY 161 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2jty n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jty n GLY 162 N 0.81 2.69 5.00 -0.02 0.00 -1.26 -4.92 105.19 107.49 2jty n GLY 162 Ca 0.07 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.14 2jty n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jty n GLY 163 N -1.53 1.49 0.00 -0.02 0.00 -1.26 -4.05 105.19 99.81 2jty n GLY 163 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jty n GLY 163 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jty n GLY 164 N 0.00 0.69 0.00 -0.02 0.00 -1.26 -5.03 105.19 99.57 2jty n GLY 164 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jty n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jty n GLY 165 N 0.00 0.31 2.93 -0.02 0.00 -1.26 -4.99 105.19 102.17 2jty n GLY 165 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2jty n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jty n ALA 166 N -1.63 -1.98 -2.54 4.61 0.00 -1.26 -2.64 120.51 115.07 2jty n ALA 166 Ca 0.00 0.78 -0.18 0.00 0.00 0.00 0.00 53.44 54.04 2jty n ALA 166 Cb 0.00 -1.85 -0.11 0.00 0.00 0.00 0.00 19.45 17.49 2jty n ALA 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jty s ALA 167 N -0.32 1.38 -0.20 0.00 0.00 -1.26 -2.04 121.76 119.31 2jty s ALA 167 Ca -0.09 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 50.61 2jty s ALA 167 Cb 0.01 -0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.14 2jty s ALA 167 CO 0.27 0.10 0.16 0.99 0.00 0.00 0.00 175.76 177.28 2jty s THR 168 N -1.99 -0.21 -0.74 0.00 2.01 -0.29 -4.98 115.64 109.45 2jty s THR 168 Ca 0.06 -0.22 -0.16 0.00 0.31 0.00 0.00 61.69 61.68 2jty s THR 168 Cb -0.06 -0.68 0.16 0.00 0.01 0.00 0.00 72.50 71.94 2jty s THR 168 CO 0.02 -0.30 0.77 -0.89 -0.69 0.00 0.00 174.62 173.53 2jty s THR 169 N 2.23 5.21 0.67 -0.82 2.01 -1.26 -1.17 115.64 122.51 2jty s THR 169 Ca 0.05 -1.81 -0.07 0.00 0.31 0.00 0.00 61.69 60.17 2jty s THR 169 Cb -0.16 -4.51 0.04 0.00 0.01 0.00 0.00 72.50 67.89 2jty s THR 169 CO -0.14 -1.11 0.99 0.68 -0.69 0.00 0.00 174.62 174.35 2jty s VAL 170 N 1.42 2.73 1.27 3.82 -7.23 -0.45 -4.92 120.40 117.04 2jty s VAL 170 Ca 0.16 -0.15 -0.18 0.00 -1.81 0.00 0.00 61.98 60.00 2jty s VAL 170 Cb -0.16 -3.16 0.31 0.00 0.56 0.00 0.00 36.38 33.94 2jty s VAL 170 CO -0.04 -0.17 1.00 0.20 -0.31 0.00 0.00 175.10 175.79 2jty s ASN 171 N -4.45 0.19 0.00 4.85 0.01 -1.26 -0.91 114.94 113.37 2jty s ASN 171 Ca 0.58 1.04 0.00 0.00 -0.71 0.00 0.00 52.86 53.77 2jty s ASN 171 Cb -0.11 -1.54 0.00 0.00 0.41 0.00 0.00 41.25 40.01 2jty s ASN 171 CO 0.45 -4.62 0.00 0.61 -1.51 0.00 0.00 177.10 172.03 2jty n GLY 172 N 0.57 0.03 0.00 0.66 0.00 -0.11 -3.67 105.19 102.67 2jty n GLY 172 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2jty n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jty n GLY 173 N 0.49 -0.30 3.84 -0.02 0.00 -1.08 -4.64 105.19 103.49 2jty n GLY 173 Ca 0.00 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 2jty n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jty s THR 174 N -1.70 5.28 -0.39 2.61 2.01 0.62 -0.92 115.64 123.15 2jty s THR 174 Ca 0.00 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.15 2jty s THR 174 Cb 0.00 -3.29 0.11 0.00 0.01 0.00 0.00 72.50 69.33 2jty s THR 174 CO 0.00 0.61 0.13 -0.69 -0.69 0.00 0.00 174.62 173.98 2jty s VAL 175 N -1.00 1.96 -1.03 3.82 1.01 0.22 -2.25 120.40 123.13 2jty s VAL 175 Ca 0.15 -2.41 -0.21 0.00 0.00 0.00 0.00 61.98 59.51 2jty s VAL 175 Cb -0.12 -2.43 0.08 0.00 0.00 0.00 0.00 36.38 33.92 2jty s VAL 175 CO 0.04 -0.70 1.38 -1.00 0.00 0.00 0.00 175.10 174.82 2jty s HIS 176 N 0.70 2.79 -0.22 5.22 3.76 -0.43 -1.51 115.29 125.60 2jty s HIS 176 Ca 0.13 -1.16 -0.29 0.00 -0.15 0.00 0.00 55.06 53.60 2jty s HIS 176 Cb -0.21 -4.56 -0.04 0.00 1.11 0.00 0.00 32.58 28.89 2jty s HIS 176 CO -0.08 -1.76 1.83 -0.06 -0.85 0.00 0.00 174.74 173.82 2jty s PHE 177 N 4.02 1.73 0.30 1.40 0.08 -0.09 -1.10 117.98 124.33 2jty s PHE 177 Ca 0.43 0.45 0.11 0.00 0.12 0.00 0.00 56.93 58.04 2jty s PHE 177 Cb -0.01 -4.04 -0.05 0.00 -0.57 0.00 0.00 43.02 38.34 2jty s PHE 177 CO -0.08 -3.48 -0.16 0.15 -0.10 0.00 0.00 175.22 171.56 2jty s LYS 178 N 5.27 1.70 0.00 0.44 -0.14 -0.14 0.03 119.74 126.91 2jty s LYS 178 Ca 0.82 -1.81 0.00 0.00 -1.36 0.00 0.00 55.97 53.61 2jty s LYS 178 Cb -0.28 -1.71 0.00 0.00 -1.68 0.00 0.00 37.83 34.16 2jty s LYS 178 CO 0.33 0.26 0.00 0.41 -0.76 0.00 0.00 175.35 175.59 2jty n GLY 179 N -0.66 0.91 3.83 -3.33 0.00 -1.21 -0.26 105.19 104.46 2jty n GLY 179 Ca -0.05 -2.01 -0.07 0.00 0.00 0.00 0.00 46.02 43.90 2jty n GLY 179 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jty s GLU 180 N -1.34 1.76 -0.06 1.61 2.12 -0.83 -1.67 118.70 120.29 2jty s GLU 180 Ca 0.00 -1.02 0.04 0.00 0.36 0.00 0.00 54.97 54.35 2jty s GLU 180 Cb 0.00 0.57 -0.00 0.00 0.26 0.00 0.00 34.13 34.96 2jty s GLU 180 CO 0.00 -0.81 -0.18 0.08 -0.54 0.00 0.00 175.26 173.81 2jty s VAL 181 N -3.41 1.54 0.07 3.70 1.01 -1.26 -1.50 120.40 120.55 2jty s VAL 181 Ca 0.13 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.41 2jty s VAL 181 Cb -0.05 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2jty s VAL 181 CO 0.07 0.44 -0.10 0.68 0.00 0.00 0.00 175.10 176.20 2jty s VAL 182 N 0.18 3.40 0.00 2.92 -7.23 0.47 -1.10 120.40 119.05 2jty s VAL 182 Ca -0.08 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 2jty s VAL 182 Cb -0.14 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2jty s VAL 182 CO 0.04 0.20 0.83 -3.20 -0.31 0.00 0.00 175.10 172.65 2jty n ASN 183 N 0.97 2.43 0.00 4.85 4.05 -1.26 -1.29 115.26 125.00 2jty n ASN 183 Ca -0.14 -1.55 0.00 0.00 0.45 0.00 0.00 54.58 53.34 2jty n ASN 183 Cb 0.52 -0.43 0.00 0.00 1.23 0.00 0.00 39.78 41.11 2jty n ASN 183 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21