#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmr s ALA 2 N 0.00 2.33 0.25 3.04 0.00 -1.26 -5.15 121.76 120.98 2jmr s ALA 2 Ca 0.00 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.01 2jmr s ALA 2 Cb 0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 2jmr s ALA 2 CO 0.00 0.40 -0.04 -0.51 0.00 0.00 0.00 175.76 175.61 2jmr s ASP 3 N -0.13 2.36 0.25 0.00 1.11 -1.26 -5.17 116.67 113.82 2jmr s ASP 3 Ca -0.04 -1.19 0.01 0.00 0.18 0.00 0.00 52.55 51.51 2jmr s ASP 3 Cb -0.14 -0.09 -0.05 0.00 1.07 0.00 0.00 42.92 43.71 2jmr s ASP 3 CO 0.04 -0.40 0.12 -0.44 1.18 0.00 0.00 175.17 175.66 2jmr s SER 4 N -3.38 0.89 -0.27 0.27 0.01 -1.26 -5.14 113.70 104.83 2jmr s SER 4 Ca 0.28 -1.41 -0.10 0.00 1.31 0.00 0.00 55.95 56.03 2jmr s SER 4 Cb 0.04 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.49 2jmr s SER 4 CO 0.10 -0.79 0.15 -0.89 0.41 0.00 0.00 173.24 172.23 2jmr s THR 5 N -3.87 5.02 -0.68 1.44 2.01 -1.26 -4.64 115.64 113.66 2jmr s THR 5 Ca 0.38 0.07 -0.03 0.00 0.31 0.00 0.00 61.69 62.42 2jmr s THR 5 Cb 0.07 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.21 2jmr s THR 5 CO 0.14 0.28 0.68 -0.38 -0.69 0.00 0.00 174.62 174.64 2jmr n ILE 6 N 5.01-10.36 -0.56 1.82 -0.00 -1.26 -4.97 119.36 109.04 2jmr n ILE 6 Ca -0.15 -0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.60 2jmr n ILE 6 Cb 0.52 -7.00 0.00 0.00 -0.00 0.00 0.00 39.64 33.15 2jmr n ILE 6 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 2jmr n THR 7 N -1.46 0.18 -1.96 1.39 5.66 -1.26 -5.08 114.28 111.74 2jmr n THR 7 Ca 0.02 -0.31 -0.37 0.00 -3.05 0.00 0.00 64.05 60.34 2jmr n THR 7 Cb 0.49 1.24 0.03 0.00 -1.55 0.00 0.00 70.33 70.54 2jmr n THR 7 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2jmr s ILE 8 N -0.18 2.47 0.00 1.09 -1.09 -1.26 -5.03 121.20 117.20 2jmr s ILE 8 Ca 0.00 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 2jmr s ILE 8 Cb 0.00 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 2jmr s ILE 8 CO 0.00 -0.02 0.00 0.54 -1.23 0.00 0.00 174.94 174.23 2jmr n ARG 9 N -1.01 0.00 -2.14 2.79 3.00 -1.26 -4.90 116.66 113.15 2jmr n ARG 9 Ca 0.10 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.56 2jmr n ARG 9 Cb 0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 32.46 32.91 2jmr n ARG 9 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2jmr s GLY 10 N 0.00 2.89 -0.08 -0.13 0.00 -1.26 -5.03 107.32 103.71 2jmr s GLY 10 Ca 0.00 1.12 -0.05 0.00 0.00 0.00 0.00 44.72 45.79 2jmr s GLY 10 CO 0.00 1.66 0.20 -2.52 0.00 0.00 0.00 173.10 172.44 2jmr s TYR 11 N -1.34 -0.23 0.87 1.90 1.13 -1.26 -5.11 117.35 113.31 2jmr s TYR 11 Ca 0.59 0.59 -0.13 0.00 -1.41 0.00 0.00 57.07 56.70 2jmr s TYR 11 Cb -0.35 0.03 0.04 0.00 -1.10 0.00 0.00 41.96 40.58 2jmr s TYR 11 CO 0.44 -0.15 0.65 1.55 -2.51 0.00 0.00 175.55 175.52 2jmr n VAL 12 N 3.60 0.77 -0.99 -3.49 3.14 -1.26 -4.80 118.33 115.29 2jmr n VAL 12 Ca -0.19 -0.22 -0.35 0.00 -2.96 0.00 0.00 64.34 60.62 2jmr n VAL 12 Cb 0.56 -0.79 -0.03 0.00 -1.06 0.00 0.00 33.84 32.52 2jmr n VAL 12 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2jmr n ARG 13 N -2.01 0.00 0.12 1.45 -4.01 -1.26 -3.71 116.66 107.24 2jmr n ARG 13 Ca 0.09 0.00 0.07 0.00 -1.04 0.00 0.00 57.85 56.97 2jmr n ARG 13 Cb 0.52 -0.75 0.54 0.00 -3.04 0.00 0.00 32.46 29.74 2jmr n ARG 13 CO 0.00 0.00 0.00 0.38 -3.04 0.00 0.00 177.63 174.97 2jmr h ASP 14 N 0.87 0.22 -0.43 2.89 3.04 -1.91 -3.01 116.42 118.08 2jmr h ASP 14 Ca -0.22 -0.00 -0.71 0.00 -3.24 0.00 0.00 57.03 52.86 2jmr h ASP 14 Cb 1.01 -0.05 -0.05 0.00 -1.04 0.00 0.00 39.33 39.20 2jmr h ASP 14 CO 0.41 0.15 3.04 0.59 -2.04 0.00 0.00 179.24 181.39 2jmr n ASN 15 N -4.50 6.15 0.00 4.15 5.03 -1.26 -1.53 115.26 123.30 2jmr n ASN 15 Ca 0.01 -2.86 0.00 0.00 0.87 0.00 0.00 54.58 52.60 2jmr n ASN 15 Cb 0.12 -1.55 0.00 0.00 -1.02 0.00 0.00 39.78 37.33 2jmr n ASN 15 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jmr n GLY 16 N 3.35 1.19 3.79 7.41 0.00 -1.25 -5.02 105.19 114.67 2jmr n GLY 16 Ca 0.59 -2.20 -0.23 0.00 0.00 0.00 0.00 46.02 44.18 2jmr n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr s SER 18 N -3.97 4.03 0.30 0.00 0.01 -0.73 -5.00 113.70 108.35 2jmr s SER 18 Ca 0.42 -0.64 -0.29 0.00 1.31 0.00 0.00 55.95 56.75 2jmr s SER 18 Cb -0.01 -0.60 -0.10 0.00 0.21 0.00 0.00 66.02 65.52 2jmr s SER 18 CO 0.25 0.11 1.29 0.54 0.41 0.00 0.00 173.24 175.84 2jmr s VAL 19 N -1.65 2.88 0.53 3.43 0.11 -1.26 -1.07 120.40 123.36 2jmr s VAL 19 Ca 0.23 0.85 -0.18 0.00 -2.93 0.00 0.00 61.98 59.95 2jmr s VAL 19 Cb -0.09 -3.54 -0.06 0.00 -1.53 0.00 0.00 36.38 31.16 2jmr s VAL 19 CO 0.13 0.19 1.05 0.00 -3.33 0.00 0.00 175.10 173.14 2jmr s ALA 20 N -0.91 2.82 0.31 1.54 0.00 0.04 -4.64 121.76 120.92 2jmr s ALA 20 Ca 0.50 0.51 0.07 0.00 0.00 0.00 0.00 51.96 53.04 2jmr s ALA 20 Cb -0.38 -3.24 0.84 0.00 0.00 0.00 0.00 23.12 20.33 2jmr s ALA 20 CO 0.49 -0.52 1.71 0.00 0.00 0.00 0.00 175.76 177.43 2jmr h ALA 21 N 1.07 1.65 0.00 0.00 0.00 -1.89 0.91 119.26 120.99 2jmr h ALA 21 Ca -0.48 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2jmr h ALA 21 Cb 1.22 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jmr h ALA 21 CO 0.58 -0.34 0.00 -0.85 0.00 0.00 0.00 179.25 178.64 2jmr n GLU 22 N -4.98 0.28 0.00 0.00 0.28 -1.26 -2.64 120.64 112.33 2jmr n GLU 22 Ca 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.25 2jmr n GLU 22 Cb 0.73 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 32.22 2jmr n GLU 22 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2jmr n SER 23 N -0.89 1.15 -4.61 -1.84 2.88 0.16 -4.90 113.62 105.57 2jmr n SER 23 Ca 0.05 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.16 2jmr n SER 23 Cb 0.02 0.20 -0.03 0.00 -0.75 0.00 0.00 64.21 63.65 2jmr n SER 23 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2jmr s THR 24 N -0.69 3.04 -0.35 2.46 2.01 -0.31 -2.98 115.64 118.82 2jmr s THR 24 Ca 0.00 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2jmr s THR 24 Cb 0.00 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.46 2jmr s THR 24 CO 0.00 -0.03 0.00 0.59 -0.69 0.00 0.00 174.62 174.49 2jmr n ASN 25 N 10.71 -2.70 -4.83 3.53 3.02 -1.22 -4.86 115.26 118.90 2jmr n ASN 25 Ca 0.27 0.05 -0.32 0.00 -0.03 0.00 0.00 54.58 54.55 2jmr n ASN 25 Cb 0.44 -1.27 -0.01 0.00 -0.61 0.00 0.00 39.78 38.33 2jmr n ASN 25 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2jmr s PHE 26 N -2.16 3.32 0.06 3.10 -0.71 -1.16 -4.77 117.98 115.66 2jmr s PHE 26 Ca 0.00 1.46 -0.16 0.00 -1.04 0.00 0.00 56.93 57.20 2jmr s PHE 26 Cb 0.00 -2.85 -0.06 0.00 -1.21 0.00 0.00 43.02 38.90 2jmr s PHE 26 CO 0.00 -0.65 0.48 0.99 -1.34 0.00 0.00 175.22 174.70 2jmr s THR 27 N -2.64 4.91 -0.17 -4.49 2.01 -1.26 -3.64 115.64 110.35 2jmr s THR 27 Ca 0.60 0.91 -0.15 0.00 0.31 0.00 0.00 61.69 63.36 2jmr s THR 27 Cb -0.12 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2jmr s THR 27 CO 0.36 0.48 0.33 -0.69 -0.69 0.00 0.00 174.62 174.41 2jmr s VAL 28 N -1.20 5.27 -0.55 3.82 1.01 -0.24 -4.99 120.40 123.52 2jmr s VAL 28 Ca 0.29 0.61 -0.28 0.00 0.00 0.00 0.00 61.98 62.60 2jmr s VAL 28 Cb -0.17 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.56 2jmr s VAL 28 CO 0.17 0.34 1.27 -0.62 0.00 0.00 0.00 175.10 176.25 2jmr s ASP 29 N 0.70 6.37 -0.25 3.32 2.15 -1.26 -1.60 116.67 126.09 2jmr s ASP 29 Ca 0.18 0.26 -0.09 0.00 0.43 0.00 0.00 52.55 53.33 2jmr s ASP 29 Cb -0.14 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.89 2jmr s ASP 29 CO 0.06 -1.51 0.12 -0.76 -0.17 0.00 0.00 175.17 172.91 2jmr s LEU 30 N 5.25 3.76 0.00 -1.34 1.02 -1.10 -4.97 118.68 121.29 2jmr s LEU 30 Ca 0.48 -0.07 -0.02 0.00 0.02 0.00 0.00 54.13 54.53 2jmr s LEU 30 Cb -0.09 -2.02 0.03 0.00 0.02 0.00 0.00 46.19 44.14 2jmr s LEU 30 CO 0.27 -0.01 0.08 1.15 0.02 0.00 0.00 176.35 177.85 2jmr n MET 31 N 4.78 0.40 -3.08 1.70 0.00 -1.26 -3.75 117.12 115.92 2jmr n MET 31 Ca -0.15 -0.13 -0.32 0.00 0.00 0.00 0.00 57.70 57.10 2jmr n MET 31 Cb 0.52 -0.34 -0.05 0.00 0.00 0.00 0.00 33.22 33.35 2jmr n MET 31 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2jmr s GLU 32 N -1.53 3.93 -0.45 3.17 8.01 -1.26 -4.07 118.70 126.51 2jmr s GLU 32 Ca 0.06 0.60 0.06 0.00 0.01 0.00 0.00 54.97 55.69 2jmr s GLU 32 Cb -0.01 -2.43 0.20 0.00 -4.31 0.00 0.00 34.13 27.58 2jmr s GLU 32 CO 0.05 0.11 0.45 0.27 0.01 0.00 0.00 175.26 176.15 2jmr n ASN 33 N -0.60 0.41 -4.66 -0.19 0.23 0.07 -4.94 115.26 105.58 2jmr n ASN 33 Ca 0.03 -2.65 -0.59 0.00 -0.53 0.00 0.00 54.58 50.84 2jmr n ASN 33 Cb 0.53 -0.61 -0.08 0.00 -2.08 0.00 0.00 39.78 37.54 2jmr n ASN 33 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jmr n ALA 34 N 2.09 -1.16 -0.06 -2.53 0.00 -1.26 -3.72 120.51 113.87 2jmr n ALA 34 Ca 0.26 0.47 0.17 0.00 0.00 0.00 0.00 53.44 54.34 2jmr n ALA 34 Cb 0.48 -2.05 0.60 0.00 0.00 0.00 0.00 19.45 18.48 2jmr n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmr h ALA 35 N 5.47 2.28 0.00 0.00 0.00 -0.55 -2.92 119.26 123.54 2jmr h ALA 35 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2jmr h ALA 35 Cb 1.35 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2jmr h ALA 35 CO 0.88 -0.44 -0.04 1.57 0.00 0.00 0.00 179.25 181.22 2jmr h LYS 36 N 0.20 0.00 0.00 0.00 2.10 -1.81 -2.77 116.57 114.29 2jmr h LYS 36 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 2jmr h LYS 36 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 2jmr h LYS 36 CO -0.05 0.04 0.00 -0.56 -2.00 0.00 0.00 179.45 176.88 2jmr h GLN 37 N 0.00 0.00 -4.03 0.07 3.07 -1.88 -3.37 115.11 108.98 2jmr h GLN 37 Ca -0.00 0.00 -0.74 0.00 0.09 0.00 0.00 58.65 58.00 2jmr h GLN 37 Cb 0.09 0.00 -0.15 0.00 0.08 0.00 0.00 27.48 27.50 2jmr h GLN 37 CO 0.01 0.00 1.94 1.19 0.09 0.00 0.00 178.83 182.05 2jmr n PHE 38 N -2.72 3.67 -1.11 0.06 3.72 -1.04 -4.70 117.46 115.34 2jmr n PHE 38 Ca 0.02 -2.97 0.08 0.00 -0.05 0.00 0.00 57.45 54.53 2jmr n PHE 38 Cb 0.33 -2.10 0.21 0.00 -0.94 0.00 0.00 39.48 36.98 2jmr n PHE 38 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2jmr n ASN 39 N 4.79 3.05 -2.72 4.37 6.94 -1.26 -4.32 115.26 126.10 2jmr n ASN 39 Ca 0.40 -3.18 -0.00 0.00 -0.02 0.00 0.00 54.58 51.79 2jmr n ASN 39 Cb 0.39 -0.51 0.01 0.00 -2.36 0.00 0.00 39.78 37.31 2jmr n ASN 39 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2jmr n ASN 40 N -0.96 -1.02 -0.00 0.53 0.23 -1.26 -4.93 115.26 107.84 2jmr n ASN 40 Ca 0.21 -1.42 0.08 0.00 -0.53 0.00 0.00 54.58 52.91 2jmr n ASN 40 Cb 0.81 1.63 -0.10 0.00 -2.08 0.00 0.00 39.78 40.04 2jmr n ASN 40 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2jmr n ILE 41 N -0.55 0.00 1.69 1.53 -0.00 -1.26 -3.56 119.36 117.20 2jmr n ILE 41 Ca 0.01 -0.20 0.15 0.00 -0.00 0.00 0.00 62.75 62.71 2jmr n ILE 41 Cb 0.40 0.77 0.77 0.00 -0.00 0.00 0.00 39.64 41.58 2jmr n ILE 41 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2jmr n GLY 42 N 1.43 -0.88 3.56 7.39 0.00 -1.26 -4.64 105.19 110.79 2jmr n GLY 42 Ca 0.01 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 2jmr n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr s ALA 43 N -2.21 2.13 -0.03 4.61 0.00 -1.23 -4.93 121.76 120.10 2jmr s ALA 43 Ca 0.39 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.26 2jmr s ALA 43 Cb 0.21 -4.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.05 2jmr s ALA 43 CO 0.40 -3.80 -0.04 0.95 0.00 0.00 0.00 175.76 173.27 2jmr s THR 44 N 9.85 3.89 0.54 0.00 -4.23 -1.26 -0.79 115.64 123.64 2jmr s THR 44 Ca 0.84 -0.58 -0.06 0.00 -1.18 0.00 0.00 61.69 60.70 2jmr s THR 44 Cb -0.18 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 2jmr s THR 44 CO 0.26 0.47 0.86 0.42 -0.54 0.00 0.00 174.62 176.09 2jmr s THR 45 N -0.96 4.46 -0.45 3.99 -4.23 -0.92 -4.99 115.64 112.54 2jmr s THR 45 Ca 0.16 0.23 -0.26 0.00 -1.18 0.00 0.00 61.69 60.64 2jmr s THR 45 Cb -0.11 -3.73 -0.06 0.00 1.34 0.00 0.00 72.50 69.94 2jmr s THR 45 CO 0.06 -0.76 2.33 -2.16 -0.54 0.00 0.00 174.62 173.55 2jmr s PRO 46 N -4.89 2.32 0.73 3.99 0.04 -1.26 -4.84 135.00 131.09 2jmr s PRO 46 Ca 0.51 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.85 2jmr s PRO 46 Cb -0.10 -4.53 -0.03 0.00 0.04 0.00 0.00 34.50 29.88 2jmr s PRO 46 CO 0.46 -3.04 0.60 1.55 0.04 0.00 0.00 177.00 176.62 2jmr n VAL 47 N 7.90 1.86 -4.63 -0.36 3.14 -1.26 -4.99 118.33 119.99 2jmr n VAL 47 Ca 0.34 -0.38 -0.22 0.00 -2.96 0.00 0.00 64.34 61.12 2jmr n VAL 47 Cb 0.53 -0.79 -0.15 0.00 -1.06 0.00 0.00 33.84 32.36 2jmr n VAL 47 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2jmr s VAL 48 N -1.92 1.09 0.68 1.55 0.11 -0.85 -4.98 120.40 116.08 2jmr s VAL 48 Ca 0.66 -0.58 -0.11 0.00 -2.93 0.00 0.00 61.98 59.02 2jmr s VAL 48 Cb -0.34 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.58 2jmr s VAL 48 CO 0.57 0.31 1.06 -2.16 -3.33 0.00 0.00 175.10 171.55 2jmr s PRO 49 N -0.24 3.12 0.12 1.54 0.04 -1.26 -1.47 135.00 136.84 2jmr s PRO 49 Ca 0.04 0.76 -0.26 0.00 0.04 0.00 0.00 61.00 61.58 2jmr s PRO 49 Cb -0.06 -2.03 0.07 0.00 0.04 0.00 0.00 34.50 32.52 2jmr s PRO 49 CO -0.00 -0.92 0.93 0.12 0.04 0.00 0.00 177.00 177.17 2jmr s PHE 50 N -3.16 -0.20 0.21 0.56 5.36 0.74 -4.79 117.98 116.70 2jmr s PHE 50 Ca 0.57 -0.07 -0.23 0.00 -0.96 0.00 0.00 56.93 56.24 2jmr s PHE 50 Cb -0.12 0.61 0.05 0.00 -0.34 0.00 0.00 43.02 43.22 2jmr s PHE 50 CO 0.54 -0.77 0.72 -0.98 -1.46 0.00 0.00 175.22 173.27 2jmr s ARG 51 N -3.27 1.49 -0.59 10.12 1.04 -1.26 -0.83 118.95 125.65 2jmr s ARG 51 Ca 0.10 -0.74 -0.01 0.00 -1.04 0.00 0.00 55.73 54.04 2jmr s ARG 51 Cb -0.01 0.56 0.15 0.00 -2.04 0.00 0.00 34.95 33.61 2jmr s ARG 51 CO -0.01 -0.67 0.39 0.42 -0.04 0.00 0.00 175.30 175.39 2jmr s ILE 52 N -3.74 3.45 -0.05 4.99 1.01 -1.26 -4.99 121.20 120.61 2jmr s ILE 52 Ca 0.08 -2.98 -0.29 0.00 0.00 0.00 0.00 60.65 57.45 2jmr s ILE 52 Cb -0.04 -3.28 -0.07 0.00 0.01 0.00 0.00 42.46 39.08 2jmr s ILE 52 CO -0.01 -0.85 2.03 -0.22 0.00 0.00 0.00 174.94 175.89 2jmr s LEU 53 N -0.04 4.11 -0.61 2.97 1.98 -1.26 -4.75 118.68 121.09 2jmr s LEU 53 Ca 0.16 2.39 -0.11 0.00 -2.89 0.00 0.00 54.13 53.69 2jmr s LEU 53 Cb -0.21 -3.52 0.16 0.00 0.66 0.00 0.00 46.19 43.27 2jmr s LEU 53 CO -0.03 -1.34 0.51 -0.76 -1.89 0.00 0.00 176.35 172.85 2jmr s LEU 54 N 5.65 6.03 0.05 -0.68 2.01 -0.22 -0.78 118.68 130.74 2jmr s LEU 54 Ca 0.91 -2.27 -0.21 0.00 0.01 0.00 0.00 54.13 52.57 2jmr s LEU 54 Cb -0.39 -2.08 0.05 0.00 0.01 0.00 0.00 46.19 43.78 2jmr s LEU 54 CO 0.39 -0.64 0.50 -0.55 1.01 0.00 0.00 176.35 177.06 2jmr s SER 55 N 2.39 -0.41 0.91 2.29 0.15 -0.24 -3.82 113.70 114.97 2jmr s SER 55 Ca 0.11 0.12 -0.10 0.00 0.70 0.00 0.00 55.95 56.78 2jmr s SER 55 Cb -0.21 0.48 0.14 0.00 -1.71 0.00 0.00 66.02 64.72 2jmr s SER 55 CO -0.03 -0.72 1.13 -2.16 1.20 0.00 0.00 173.24 172.66 2jmr s PRO 56 N -2.55 1.05 -0.01 5.44 0.04 -1.26 -2.30 135.00 135.42 2jmr s PRO 56 Ca -0.05 1.43 -0.05 0.00 0.04 0.00 0.00 61.00 62.38 2jmr s PRO 56 Cb -0.01 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2jmr s PRO 56 CO -0.03 -2.57 0.10 0.00 0.04 0.00 0.00 177.00 174.55 2jmr n GLY 58 N 1.90 -3.26 0.00 0.00 0.00 -0.51 -3.59 105.19 99.72 2jmr n GLY 58 Ca -0.20 -1.40 0.09 0.00 0.00 0.00 0.00 46.02 44.51 2jmr n GLY 58 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jmr n ASN 59 N -5.10 0.87 -1.75 1.61 0.23 -1.22 -1.17 115.26 108.73 2jmr n ASN 59 Ca 0.13 -0.87 -0.17 0.00 -0.53 0.00 0.00 54.58 53.14 2jmr n ASN 59 Cb 0.55 1.08 0.06 0.00 -2.08 0.00 0.00 39.78 39.39 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jmr n ALA 60 N -1.53 4.65 -2.02 -2.53 0.00 -0.58 -4.74 120.51 113.77 2jmr n ALA 60 Ca 0.03 -3.65 -0.20 0.00 0.00 0.00 0.00 53.44 49.62 2jmr n ALA 60 Cb 0.32 -0.35 0.07 0.00 0.00 0.00 0.00 19.45 19.50 2jmr n ALA 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jmr s VAL 61 N -4.26 2.22 0.10 0.00 -7.23 -1.23 -4.71 120.40 105.29 2jmr s VAL 61 Ca 0.47 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 2jmr s VAL 61 Cb 0.40 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 35.01 2jmr s VAL 61 CO 0.01 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.26 2jmr n SER 62 N -2.36 -0.45 -4.19 4.85 3.41 -1.26 -4.93 113.62 108.68 2jmr n SER 62 Ca 0.15 0.18 -0.12 0.00 -0.26 0.00 0.00 58.87 58.83 2jmr n SER 62 Cb 0.61 0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 65.04 2jmr n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jmr s ALA 63 N -1.76 1.12 0.17 7.33 0.00 -1.26 -0.98 121.76 126.38 2jmr s ALA 63 Ca 0.00 -1.66 -0.00 0.00 0.00 0.00 0.00 51.96 50.30 2jmr s ALA 63 Cb 0.00 1.30 -0.04 0.00 0.00 0.00 0.00 23.12 24.38 2jmr s ALA 63 CO 0.00 -0.57 0.07 0.08 0.00 0.00 0.00 175.76 175.34 2jmr s VAL 64 N -4.14 0.24 -0.30 0.00 1.01 -1.26 -2.98 120.40 112.97 2jmr s VAL 64 Ca 0.36 -1.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.36 2jmr s VAL 64 Cb 0.07 -2.25 0.10 0.00 0.00 0.00 0.00 36.38 34.31 2jmr s VAL 64 CO 0.10 -0.29 0.13 -0.54 0.00 0.00 0.00 175.10 174.50 2jmr s LYS 65 N -4.05 0.31 0.29 2.72 1.02 0.46 -4.23 119.74 116.26 2jmr s LYS 65 Ca 0.29 -0.67 -0.28 0.00 0.02 0.00 0.00 55.97 55.33 2jmr s LYS 65 Cb 0.07 -1.32 -0.10 0.00 -0.52 0.00 0.00 37.83 35.96 2jmr s LYS 65 CO 0.06 -1.02 0.95 0.54 -0.92 0.00 0.00 175.35 174.96 2jmr s VAL 66 N 1.95 4.13 -0.39 3.17 0.11 -1.26 -1.42 120.40 126.68 2jmr s VAL 66 Ca 0.10 1.91 0.03 0.00 -2.93 0.00 0.00 61.98 61.09 2jmr s VAL 66 Cb -0.17 -4.12 0.11 0.00 -1.53 0.00 0.00 36.38 30.67 2jmr s VAL 66 CO -0.33 0.28 0.13 -0.83 -3.33 0.00 0.00 175.10 171.02 2jmr s GLY 67 N -1.43 1.97 -0.36 6.54 0.00 0.44 -4.78 107.32 109.70 2jmr s GLY 67 Ca 0.47 -2.66 -0.29 0.00 0.00 0.00 0.00 44.72 42.24 2jmr s GLY 67 CO 0.27 1.07 1.11 -1.36 0.00 0.00 0.00 173.10 174.20 2jmr s PHE 68 N 0.61 3.02 0.02 1.90 0.08 -1.26 -1.11 117.98 121.23 2jmr s PHE 68 Ca 0.13 1.03 0.00 0.00 0.12 0.00 0.00 56.93 58.22 2jmr s PHE 68 Cb -0.21 -3.93 -0.02 0.00 -0.57 0.00 0.00 43.02 38.29 2jmr s PHE 68 CO -0.07 -0.99 -0.04 0.95 -0.10 0.00 0.00 175.22 174.98 2jmr s THR 69 N 3.95 0.19 0.00 0.64 -4.23 -0.80 -3.94 115.64 111.45 2jmr s THR 69 Ca 0.47 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2jmr s THR 69 Cb -0.11 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.39 2jmr s THR 69 CO 0.21 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 2jmr n GLY 70 N 1.56 -0.38 3.23 3.99 0.00 -1.26 -0.99 105.19 111.34 2jmr n GLY 70 Ca -0.24 0.53 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 2jmr n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jmr s VAL 71 N 1.13 -0.19 0.11 1.61 1.01 -1.26 -4.98 120.40 117.83 2jmr s VAL 71 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 2jmr s VAL 71 Cb 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 2jmr s VAL 71 CO 0.00 0.05 1.01 0.00 0.00 0.00 0.00 175.10 176.17 2jmr s ALA 72 N 1.72 3.27 0.82 5.51 0.00 -1.26 -1.17 121.76 130.66 2jmr s ALA 72 Ca -0.07 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.43 2jmr s ALA 72 Cb -0.10 -3.32 0.09 0.00 0.00 0.00 0.00 23.12 19.79 2jmr s ALA 72 CO -0.12 -0.13 1.09 0.34 0.00 0.00 0.00 175.76 176.94 2jmr s ASP 73 N 0.21 4.07 -0.01 0.00 -1.08 -0.84 -4.67 116.67 114.35 2jmr s ASP 73 Ca 0.49 1.68 -0.21 0.00 -0.52 0.00 0.00 52.55 53.99 2jmr s ASP 73 Cb -0.25 -2.37 -0.24 0.00 -1.46 0.00 0.00 42.92 38.60 2jmr s ASP 73 CO 0.31 -2.29 1.06 -1.28 0.52 0.00 0.00 175.17 173.49 2jmr h SER 74 N -1.31 0.45 -0.40 -0.34 0.87 -1.95 -3.20 113.55 107.66 2jmr h SER 74 Ca -0.46 -0.78 -0.15 0.00 -1.23 0.00 0.00 61.79 59.16 2jmr h SER 74 Cb 1.25 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 2jmr h SER 74 CO 0.53 1.18 -0.35 0.45 -0.53 0.00 0.00 176.83 178.10 2jmr h HIS 75 N -0.23 1.13 -1.63 2.24 3.86 -1.96 -3.40 115.15 115.16 2jmr h HIS 75 Ca -0.07 -0.33 -0.32 0.00 -1.16 0.00 0.00 60.37 58.49 2jmr h HIS 75 Cb 1.27 -0.24 -0.26 0.00 1.06 0.00 0.00 27.41 29.23 2jmr h HIS 75 CO 0.16 1.16 -0.67 -0.80 0.86 0.00 0.00 177.93 178.64 2jmr s ASN 76 N -6.81 0.04 0.53 2.45 -0.87 -1.26 -5.02 114.94 104.00 2jmr s ASN 76 Ca -0.11 -1.95 0.31 0.00 -1.57 0.00 0.00 52.86 49.54 2jmr s ASN 76 Cb 0.11 0.91 1.69 0.00 -0.02 0.00 0.00 41.25 43.94 2jmr s ASN 76 CO 0.88 -0.15 1.94 0.00 -2.57 0.00 0.00 177.10 177.20 2jmr h ALA 77 N 5.97 1.11 -0.44 0.60 0.00 -1.78 0.87 119.26 125.58 2jmr h ALA 77 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2jmr h ALA 77 Cb 1.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2jmr h ALA 77 CO 0.17 -0.11 -0.01 -0.91 0.00 0.00 0.00 179.25 178.39 2jmr h ASN 78 N 0.00 0.70 -4.20 0.00 4.21 -1.92 -3.38 115.58 111.00 2jmr h ASN 78 Ca 0.00 -0.17 -0.49 0.00 1.21 0.00 0.00 56.30 56.85 2jmr h ASN 78 Cb 0.24 -0.19 0.04 0.00 -1.12 0.00 0.00 38.32 37.29 2jmr h ASN 78 CO 0.00 0.78 0.36 -0.76 -1.29 0.00 0.00 177.43 176.52 2jmr s LEU 79 N -9.12 3.47 0.02 1.61 1.43 0.30 -1.81 118.68 114.57 2jmr s LEU 79 Ca -0.09 1.44 -0.21 0.00 -1.03 0.00 0.00 54.13 54.24 2jmr s LEU 79 Cb 0.15 -4.43 -0.06 0.00 0.03 0.00 0.00 46.19 41.88 2jmr s LEU 79 CO 0.80 -0.70 0.63 -0.22 0.23 0.00 0.00 176.35 177.09 2jmr s LEU 80 N -4.57 4.44 0.00 1.79 2.96 -0.74 -1.99 118.68 120.56 2jmr s LEU 80 Ca 0.56 1.24 -0.06 0.00 -0.22 0.00 0.00 54.13 55.65 2jmr s LEU 80 Cb -0.10 -2.99 0.09 0.00 0.50 0.00 0.00 46.19 43.69 2jmr s LEU 80 CO 0.42 0.11 0.36 0.00 -1.32 0.00 0.00 176.35 175.91 2jmr n ALA 81 N 2.61 -0.99 -3.86 5.97 0.00 -0.32 -0.62 120.51 123.31 2jmr n ALA 81 Ca -0.06 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2jmr n ALA 81 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2jmr n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jmr n LEU 82 N 0.00 0.00 0.00 0.00 4.32 -1.26 -4.53 117.00 115.53 2jmr n LEU 82 Ca 0.05 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.04 2jmr n LEU 82 Cb 0.19 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.01 2jmr n LEU 82 CO 0.13 0.00 0.43 -1.84 -1.22 0.00 0.00 177.39 174.89 2jmr n GLU 83 N 0.00 0.01 -1.50 3.23 0.28 -0.32 -4.85 120.64 117.49 2jmr n GLU 83 Ca 0.00 0.31 -0.16 0.00 -0.16 0.00 0.00 57.16 57.15 2jmr n GLU 83 Cb 0.00 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.31 2jmr n GLU 83 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2jmr n ASN 84 N -1.32 -4.88 -4.74 -1.84 4.05 -1.26 -4.95 115.26 100.33 2jmr n ASN 84 Ca 0.00 0.37 -0.23 0.00 0.45 0.00 0.00 54.58 55.17 2jmr n ASN 84 Cb 0.01 -3.77 -0.06 0.00 1.23 0.00 0.00 39.78 37.19 2jmr n ASN 84 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2jmr s THR 85 N -2.59 2.88 0.26 -0.44 -1.32 -1.26 -5.03 115.64 108.15 2jmr s THR 85 Ca 0.00 -1.68 -0.04 0.00 -1.21 0.00 0.00 61.69 58.76 2jmr s THR 85 Cb 0.00 -2.98 0.23 0.00 -1.51 0.00 0.00 72.50 68.25 2jmr s THR 85 CO 0.00 -0.14 1.91 -0.37 -2.21 0.00 0.00 174.62 173.81 2jmr h VAL 86 N 1.50 1.24 0.00 5.08 -1.51 -1.94 -1.66 116.25 118.96 2jmr h VAL 86 Ca -0.43 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 2jmr h VAL 86 Cb 1.25 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 2jmr h VAL 86 CO 0.64 0.25 0.00 -1.20 -1.23 0.00 0.00 177.57 176.03 2jmr n SER 87 N -4.36 0.22 -4.71 4.19 7.64 -1.26 -4.70 113.62 110.64 2jmr n SER 87 Ca 0.09 0.53 -0.28 0.00 1.01 0.00 0.00 58.87 60.22 2jmr n SER 87 Cb 0.06 -0.58 0.11 0.00 -1.01 0.00 0.00 64.21 62.79 2jmr n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr s ALA 88 N -3.04 2.67 0.67 -0.43 0.00 -0.62 -2.10 121.76 118.91 2jmr s ALA 88 Ca 0.12 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 2jmr s ALA 88 Cb 0.16 -2.82 -0.00 0.00 0.00 0.00 0.00 23.12 20.46 2jmr s ALA 88 CO 0.50 -1.79 1.06 0.00 0.00 0.00 0.00 175.76 175.53 2jmr s ALA 89 N -3.58 2.65 0.27 0.00 0.00 -1.22 -4.54 121.76 115.34 2jmr s ALA 89 Ca 0.65 0.22 0.09 0.00 0.00 0.00 0.00 51.96 52.91 2jmr s ALA 89 Cb -0.09 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2jmr s ALA 89 CO 0.49 -1.15 0.08 -1.12 0.00 0.00 0.00 175.76 174.06 2jmr s SER 90 N -3.39 4.87 -1.88 0.00 0.01 -1.26 -4.67 113.70 107.37 2jmr s SER 90 Ca 0.60 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2jmr s SER 90 Cb -0.15 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.08 2jmr s SER 90 CO 0.49 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.69 2jmr n GLY 91 N -1.02 1.68 3.16 3.44 0.00 -1.26 -4.52 105.19 106.67 2jmr n GLY 91 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 2jmr n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jmr s LEU 92 N -4.17 1.98 0.17 0.99 1.43 -1.26 -0.34 118.68 117.47 2jmr s LEU 92 Ca 0.00 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 2jmr s LEU 92 Cb 0.00 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 2jmr s LEU 92 CO 0.00 0.11 0.28 -0.83 0.23 0.00 0.00 176.35 176.14 2jmr s GLY 93 N 0.54 1.63 0.07 -3.19 0.00 0.65 -4.81 107.32 102.21 2jmr s GLY 93 Ca -0.15 -1.08 -0.25 0.00 0.00 0.00 0.00 44.72 43.23 2jmr s GLY 93 CO 0.05 -1.09 0.77 -0.42 0.00 0.00 0.00 173.10 172.42 2jmr s ILE 94 N -1.78 4.65 -0.20 0.90 -1.09 0.21 -2.05 121.20 121.84 2jmr s ILE 94 Ca 0.34 1.66 0.01 0.00 -2.23 0.00 0.00 60.65 60.43 2jmr s ILE 94 Cb -0.11 -4.13 0.04 0.00 -1.58 0.00 0.00 42.46 36.69 2jmr s ILE 94 CO 0.28 0.39 -0.11 -1.58 -1.23 0.00 0.00 174.94 172.70 2jmr s GLN 95 N -0.27 2.06 -0.02 2.79 0.74 -0.48 -1.80 119.66 122.69 2jmr s GLN 95 Ca 0.38 -0.86 0.07 0.00 0.05 0.00 0.00 55.36 55.00 2jmr s GLN 95 Cb -0.21 -2.44 -0.02 0.00 1.10 0.00 0.00 33.01 31.44 2jmr s GLN 95 CO 0.24 -0.43 -0.22 -0.51 -0.55 0.00 0.00 175.29 173.82 2jmr s LEU 96 N 1.38 2.27 0.30 3.68 2.01 -1.26 -0.39 118.68 126.67 2jmr s LEU 96 Ca -0.01 -0.40 0.03 0.00 0.01 0.00 0.00 54.13 53.75 2jmr s LEU 96 Cb -0.16 -1.40 -0.04 0.00 0.01 0.00 0.00 46.19 44.59 2jmr s LEU 96 CO -0.08 0.32 0.13 -0.76 1.01 0.00 0.00 176.35 176.97 2jmr s LEU 97 N -0.72 1.73 0.00 1.79 1.02 -1.16 -4.05 118.68 117.29 2jmr s LEU 97 Ca 0.11 -1.50 -0.00 0.00 0.02 0.00 0.00 54.13 52.76 2jmr s LEU 97 Cb -0.10 0.07 0.13 0.00 0.02 0.00 0.00 46.19 46.31 2jmr s LEU 97 CO -0.00 -0.82 0.91 -0.46 0.02 0.00 0.00 176.35 176.00 2jmr n ASN 98 N -0.79 1.24 -0.23 2.29 2.04 -1.21 -4.37 115.26 114.23 2jmr n ASN 98 Ca -0.00 -2.05 0.02 0.00 -0.44 0.00 0.00 54.58 52.11 2jmr n ASN 98 Cb 0.65 -0.59 0.14 0.00 -2.53 0.00 0.00 39.78 37.45 2jmr n ASN 98 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 2jmr h GLU 99 N 0.00 0.48 0.00 -3.83 4.22 -1.93 0.16 114.58 113.67 2jmr h GLU 99 Ca -0.30 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.11 2jmr h GLU 99 Cb 1.12 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2jmr h GLU 99 CO 0.32 0.32 0.00 1.04 -2.18 0.00 0.00 179.01 178.51 2jmr n GLN 100 N -4.94 0.39 -2.55 1.92 6.02 -1.26 -4.81 117.38 112.15 2jmr n GLN 100 Ca 0.11 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.92 2jmr n GLN 100 Cb 0.31 -1.40 0.01 0.00 1.02 0.00 0.00 30.24 30.18 2jmr n GLN 100 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jmr n GLN 101 N -0.90 -2.43 -2.97 -1.09 6.02 0.56 -4.98 117.38 111.59 2jmr n GLN 101 Ca 0.07 0.80 -0.37 0.00 -0.01 0.00 0.00 57.00 57.49 2jmr n GLN 101 Cb 0.03 -5.27 -0.06 0.00 1.02 0.00 0.00 30.24 25.96 2jmr n GLN 101 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2jmr s ASN 102 N -2.44 7.20 -0.93 1.08 3.84 -1.25 -4.85 114.94 117.58 2jmr s ASN 102 Ca 0.10 1.60 -0.25 0.00 0.21 0.00 0.00 52.86 54.52 2jmr s ASN 102 Cb -0.04 -2.49 -0.08 0.00 -0.55 0.00 0.00 41.25 38.09 2jmr s ASN 102 CO 0.12 0.02 2.04 -1.58 -2.79 0.00 0.00 177.10 174.91 2jmr s GLN 103 N -1.91 2.31 -0.06 0.43 0.74 -1.26 -3.29 119.66 116.62 2jmr s GLN 103 Ca 0.45 -0.27 -0.35 0.00 0.05 0.00 0.00 55.36 55.24 2jmr s GLN 103 Cb -0.18 -5.03 -0.13 0.00 1.10 0.00 0.00 33.01 28.77 2jmr s GLN 103 CO 0.23 -3.75 1.81 -0.89 -0.55 0.00 0.00 175.29 172.13 2jmr n ILE 104 N 8.09 0.45 -2.48 -2.34 5.41 -1.26 -4.99 119.36 122.23 2jmr n ILE 104 Ca 0.42 -0.08 -0.34 0.00 1.00 0.00 0.00 62.75 63.75 2jmr n ILE 104 Cb 0.46 -1.73 -0.03 0.00 -0.71 0.00 0.00 39.64 37.63 2jmr n ILE 104 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2jmr s PRO 105 N 3.43 3.72 0.89 0.38 0.04 -1.26 -4.68 135.00 137.52 2jmr s PRO 105 Ca 0.91 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 63.22 2jmr s PRO 105 Cb -0.73 -2.08 0.13 0.00 0.04 0.00 0.00 34.50 31.86 2jmr s PRO 105 CO 0.51 -0.51 1.10 -0.51 0.04 0.00 0.00 177.00 177.63 2jmr s LEU 106 N -3.58 2.17 -1.12 -3.56 1.43 -0.75 -4.09 118.68 109.19 2jmr s LEU 106 Ca 0.68 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 2jmr s LEU 106 Cb -0.17 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.34 2jmr s LEU 106 CO 0.22 -2.56 0.00 0.59 0.23 0.00 0.00 176.35 174.83 2jmr n ASN 107 N -3.81 -3.74 -4.77 2.29 4.13 -1.25 -4.89 115.26 103.21 2jmr n ASN 107 Ca 0.07 0.22 -0.40 0.00 1.68 0.00 0.00 54.58 56.14 2jmr n ASN 107 Cb 0.56 -3.26 -0.02 0.00 -1.54 0.00 0.00 39.78 35.52 2jmr n ASN 107 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jmr s ALA 108 N -2.47 3.46 0.93 5.41 0.00 -1.26 -5.04 121.76 122.78 2jmr s ALA 108 Ca 0.00 1.18 -0.13 0.00 0.00 0.00 0.00 51.96 53.01 2jmr s ALA 108 Cb 0.00 -3.45 0.15 0.00 0.00 0.00 0.00 23.12 19.82 2jmr s ALA 108 CO 0.00 -0.56 1.16 -1.25 0.00 0.00 0.00 175.76 175.11 2jmr s PRO 109 N -1.78 1.01 0.58 0.00 0.04 -1.26 -4.86 135.00 128.74 2jmr s PRO 109 Ca 0.49 0.18 0.29 0.00 0.04 0.00 0.00 61.00 62.00 2jmr s PRO 109 Cb -0.38 -1.83 1.79 0.00 0.04 0.00 0.00 34.50 34.12 2jmr s PRO 109 CO 0.50 -2.26 2.24 0.66 0.04 0.00 0.00 177.00 178.18 2jmr h SER 110 N -1.54 0.00 0.00 6.66 4.64 -1.91 -2.29 113.55 119.11 2jmr h SER 110 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2jmr h SER 110 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2jmr h SER 110 CO 0.58 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 175.01 2jmr n SER 111 N -3.86 0.00 -0.15 4.97 3.41 -1.26 -3.50 113.62 113.23 2jmr n SER 111 Ca -0.03 -0.99 0.02 0.00 -0.26 0.00 0.00 58.87 57.61 2jmr n SER 111 Cb 0.09 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.06 2jmr n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jmr n ALA 112 N -0.87 2.46 -2.86 7.33 0.00 -0.86 -5.03 120.51 120.68 2jmr n ALA 112 Ca 0.14 -0.57 -0.10 0.00 0.00 0.00 0.00 53.44 52.91 2jmr n ALA 112 Cb 0.07 -0.12 -0.07 0.00 0.00 0.00 0.00 19.45 19.33 2jmr n ALA 112 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2jmr s LEU 113 N -0.34 0.61 -0.26 0.00 -0.00 -1.23 -4.91 118.68 112.55 2jmr s LEU 113 Ca 0.04 -1.10 -0.02 0.00 -0.00 0.00 0.00 54.13 53.06 2jmr s LEU 113 Cb 0.03 1.32 0.14 0.00 -0.00 0.00 0.00 46.19 47.68 2jmr s LEU 113 CO 0.04 -1.06 0.38 -0.94 -0.00 0.00 0.00 176.35 174.78 2jmr s SER 114 N -3.07 0.32 1.17 1.48 1.04 -1.26 -4.91 113.70 108.46 2jmr s SER 114 Ca 0.28 0.05 -0.14 0.00 0.48 0.00 0.00 55.95 56.62 2jmr s SER 114 Cb 0.02 1.10 0.21 0.00 0.10 0.00 0.00 66.02 67.44 2jmr s SER 114 CO 0.11 -0.32 0.75 1.87 0.98 0.00 0.00 173.24 176.63 2jmr n TRP 115 N 5.36 -3.62 -4.62 5.02 -0.00 -1.26 -5.10 117.44 113.23 2jmr n TRP 115 Ca -0.03 -0.68 -0.32 0.00 -0.00 0.00 0.00 57.50 56.47 2jmr n TRP 115 Cb 0.50 -0.77 -0.06 0.00 -0.00 0.00 0.00 31.31 30.98 2jmr n TRP 115 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2jmr s THR 116 N -2.36 1.16 -0.46 5.87 -1.32 -1.26 -4.92 115.64 112.34 2jmr s THR 116 Ca 0.48 -1.91 -0.26 0.00 -1.21 0.00 0.00 61.69 58.79 2jmr s THR 116 Cb -0.05 -2.07 -0.06 0.00 -1.51 0.00 0.00 72.50 68.82 2jmr s THR 116 CO 0.37 0.00 2.28 -0.89 -2.21 0.00 0.00 174.62 174.17 2jmr s THR 117 N -2.88 3.08 -0.22 5.08 2.01 -1.26 -4.44 115.64 117.01 2jmr s THR 117 Ca 0.08 0.05 -0.28 0.00 0.31 0.00 0.00 61.69 61.85 2jmr s THR 117 Cb 0.00 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2jmr s THR 117 CO 0.05 -0.16 2.02 -0.76 -0.69 0.00 0.00 174.62 175.08 2jmr s LEU 118 N 10.99 3.61 0.41 4.42 2.01 -0.15 -5.02 118.68 134.96 2jmr s LEU 118 Ca 0.93 1.80 -0.23 0.00 0.01 0.00 0.00 54.13 56.63 2jmr s LEU 118 Cb -0.19 -3.52 -0.09 0.00 0.01 0.00 0.00 46.19 42.40 2jmr s LEU 118 CO 0.27 -1.72 1.04 -0.89 1.01 0.00 0.00 176.35 176.05 2jmr s THR 119 N 7.20 3.78 0.58 5.49 2.01 -1.26 -4.45 115.64 128.98 2jmr s THR 119 Ca 0.91 1.32 -0.18 0.00 0.31 0.00 0.00 61.69 64.04 2jmr s THR 119 Cb -0.31 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2jmr s THR 119 CO 0.35 -0.03 1.15 -2.16 -0.69 0.00 0.00 174.62 173.23 2jmr s PRO 120 N -2.61 3.15 -1.30 4.92 0.04 -1.26 -3.97 135.00 133.96 2jmr s PRO 120 Ca 0.59 1.63 -0.09 0.00 0.04 0.00 0.00 61.00 63.17 2jmr s PRO 120 Cb -0.21 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.42 2jmr s PRO 120 CO 0.26 -1.02 0.49 0.41 0.04 0.00 0.00 177.00 177.18 2jmr n GLY 121 N 0.13 -0.49 3.21 0.56 0.00 -0.31 -4.92 105.19 103.38 2jmr n GLY 121 Ca 0.12 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 2jmr n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmr s LYS 122 N -5.97 1.05 0.00 1.61 1.02 -1.26 -4.63 119.74 111.57 2jmr s LYS 122 Ca 0.38 -1.50 0.30 0.00 0.02 0.00 0.00 55.97 55.17 2jmr s LYS 122 Cb -0.20 -0.13 1.61 0.00 -0.52 0.00 0.00 37.83 38.59 2jmr s LYS 122 CO 0.47 -0.16 2.06 -0.35 -0.92 0.00 0.00 175.35 176.45 2jmr n PRO 123 N -0.19 0.64 -4.02 -1.68 -0.04 -1.26 -4.59 135.00 123.85 2jmr n PRO 123 Ca -0.07 0.01 -0.28 0.00 -0.04 0.00 0.00 63.50 63.13 2jmr n PRO 123 Cb 0.63 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 2jmr n PRO 123 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2jmr n ASN 124 N -1.17 -0.38 -4.74 3.54 3.02 -1.25 -1.06 115.26 113.23 2jmr n ASN 124 Ca 0.17 -1.08 -0.42 0.00 -0.03 0.00 0.00 54.58 53.23 2jmr n ASN 124 Cb 0.18 -2.70 -0.02 0.00 -0.61 0.00 0.00 39.78 36.62 2jmr n ASN 124 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jmr s THR 125 N -4.02 2.55 0.46 3.41 2.01 -1.26 -4.12 115.64 114.67 2jmr s THR 125 Ca 0.04 0.45 0.04 0.00 0.31 0.00 0.00 61.69 62.53 2jmr s THR 125 Cb -0.02 -3.29 0.04 0.00 0.01 0.00 0.00 72.50 69.25 2jmr s THR 125 CO 0.91 0.06 0.34 0.18 -0.69 0.00 0.00 174.62 175.43 2jmr n LEU 126 N 2.65 0.00 -3.96 4.42 7.99 -1.26 -5.07 117.00 121.78 2jmr n LEU 126 Ca 0.08 -2.38 -0.30 0.00 -0.01 0.00 0.00 56.01 53.41 2jmr n LEU 126 Cb 0.39 -0.04 -0.16 0.00 -0.11 0.00 0.00 43.42 43.51 2jmr n LEU 126 CO 0.61 -0.53 -0.45 0.20 -1.51 0.00 0.00 177.39 175.71 2jmr s ASN 127 N -3.68 3.15 0.31 -1.43 0.01 -1.26 -4.68 114.94 107.35 2jmr s ASN 127 Ca 0.26 -0.79 0.03 0.00 -0.71 0.00 0.00 52.86 51.65 2jmr s ASN 127 Cb -0.02 -1.11 -0.04 0.00 0.41 0.00 0.00 41.25 40.49 2jmr s ASN 127 CO 0.16 -0.16 0.12 -0.36 -1.51 0.00 0.00 177.10 175.36 2jmr s PHE 128 N 1.49 1.66 0.03 2.20 0.08 -0.01 -3.36 117.98 120.07 2jmr s PHE 128 Ca -0.00 -1.24 -0.07 0.00 0.12 0.00 0.00 56.93 55.74 2jmr s PHE 128 Cb -0.16 -0.97 -0.00 0.00 -0.57 0.00 0.00 43.02 41.32 2jmr s PHE 128 CO -0.08 -0.36 0.14 0.71 -0.10 0.00 0.00 175.22 175.53 2jmr s TYR 129 N -3.56 0.12 0.05 0.36 2.02 -1.26 -0.18 117.35 114.90 2jmr s TYR 129 Ca 0.35 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.70 2jmr s TYR 129 Cb 0.06 -0.08 -0.03 0.00 -0.40 0.00 0.00 41.96 41.51 2jmr s TYR 129 CO 0.16 -0.38 -0.05 0.00 -1.57 0.00 0.00 175.55 173.70 2jmr s ALA 130 N -2.42 0.54 0.00 3.71 0.00 -0.54 -2.97 121.76 120.08 2jmr s ALA 130 Ca -0.06 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2jmr s ALA 130 Cb -0.02 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.24 2jmr s ALA 130 CO -0.03 -0.18 0.00 -2.13 0.00 0.00 0.00 175.76 173.42 2jmr n ARG 131 N 0.87 0.00 -3.37 0.00 3.00 0.47 -2.00 116.66 115.63 2jmr n ARG 131 Ca -0.19 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.47 2jmr n ARG 131 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.02 2jmr n ARG 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2jmr s LEU 132 N 0.00 3.63 -0.28 6.15 2.96 -1.26 -1.38 118.68 128.50 2jmr s LEU 132 Ca 0.00 -0.49 -0.23 0.00 -0.22 0.00 0.00 54.13 53.19 2jmr s LEU 132 Cb 0.00 -2.43 0.09 0.00 0.50 0.00 0.00 46.19 44.35 2jmr s LEU 132 CO 0.00 -0.61 0.83 -0.32 -1.32 0.00 0.00 176.35 174.92 2jmr s MET 133 N -4.20 0.69 0.47 1.98 -2.45 -0.87 -2.16 119.30 112.76 2jmr s MET 133 Ca 0.49 0.89 -0.20 0.00 -1.25 0.00 0.00 55.69 55.62 2jmr s MET 133 Cb -0.07 0.30 -0.09 0.00 1.25 0.00 0.00 34.83 36.21 2jmr s MET 133 CO 0.30 -0.09 1.02 0.00 1.05 0.00 0.00 175.02 177.30 2jmr s ALA 134 N 0.60 2.91 -0.04 4.11 0.00 0.03 -0.25 121.76 129.12 2jmr s ALA 134 Ca -0.01 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.55 2jmr s ALA 134 Cb -0.05 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 2jmr s ALA 134 CO -0.06 -0.22 0.02 0.25 0.00 0.00 0.00 175.76 175.76 2jmr n THR 135 N -0.89 0.28 -4.02 0.00 -2.24 0.53 -4.62 114.28 103.32 2jmr n THR 135 Ca 0.09 -0.18 -0.11 0.00 -2.27 0.00 0.00 64.05 61.57 2jmr n THR 135 Cb 0.53 -0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 2jmr n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jmr n GLN 136 N -2.12 0.41 -2.49 -0.78 1.13 -0.35 -4.85 117.38 108.33 2jmr n GLN 136 Ca -0.07 -2.07 -0.31 0.00 -1.94 0.00 0.00 57.00 52.62 2jmr n GLN 136 Cb 0.60 1.87 0.00 0.00 0.11 0.00 0.00 30.24 32.82 2jmr n GLN 136 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2jmr n VAL 137 N -0.41 3.14 0.12 5.09 0.31 -1.26 -4.69 118.33 120.62 2jmr n VAL 137 Ca 0.02 -5.06 0.01 0.00 -0.01 0.00 0.00 64.34 59.31 2jmr n VAL 137 Cb 0.41 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 2jmr n VAL 137 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jmr h PRO 138 N 2.91 0.00 -6.32 5.55 0.13 -1.83 -3.48 132.00 128.95 2jmr h PRO 138 Ca 0.34 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 65.01 2jmr h PRO 138 Cb 0.59 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.76 2jmr h PRO 138 CO 0.99 0.53 -0.92 1.33 -0.23 0.00 0.00 178.00 179.70 2jmr n VAL 139 N -3.21 -4.77 -3.43 1.56 0.24 -1.26 -4.98 118.33 102.48 2jmr n VAL 139 Ca 0.01 -0.77 -0.39 0.00 -2.04 0.00 0.00 64.34 61.15 2jmr n VAL 139 Cb 0.76 -3.70 -0.09 0.00 -1.47 0.00 0.00 33.84 29.34 2jmr n VAL 139 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jmr s THR 140 N -3.64 5.20 0.87 3.34 2.01 -1.26 -4.76 115.64 117.40 2jmr s THR 140 Ca 0.29 0.51 -0.12 0.00 0.31 0.00 0.00 61.69 62.68 2jmr s THR 140 Cb -0.11 -3.67 0.09 0.00 0.01 0.00 0.00 72.50 68.82 2jmr s THR 140 CO 0.87 0.19 0.99 0.00 -0.69 0.00 0.00 174.62 175.98 2jmr n ALA 141 N 5.16 -0.88 0.00 7.40 0.00 -1.26 -4.31 120.51 126.63 2jmr n ALA 141 Ca -0.09 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2jmr n ALA 141 Cb 0.51 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2jmr n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jmr n GLY 142 N 0.71 0.85 3.85 0.00 0.00 -0.99 -4.33 105.19 105.27 2jmr n GLY 142 Ca 0.12 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 2jmr n GLY 142 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jmr s HIS 143 N -2.00 3.44 -0.19 1.61 0.00 -0.89 0.13 115.29 117.39 2jmr s HIS 143 Ca 0.00 1.30 -0.20 0.00 -3.00 0.00 0.00 55.06 53.17 2jmr s HIS 143 Cb 0.00 -2.65 -0.03 0.00 -4.00 0.00 0.00 32.58 25.90 2jmr s HIS 143 CO 0.00 -0.22 0.57 0.42 -1.00 0.00 0.00 174.74 174.51 2jmr s ILE 144 N -2.45 5.07 -0.25 -5.38 1.09 -0.10 -3.41 121.20 115.77 2jmr s ILE 144 Ca 0.56 1.07 -0.16 0.00 -1.10 0.00 0.00 60.65 61.03 2jmr s ILE 144 Cb -0.10 -3.89 0.07 0.00 -1.06 0.00 0.00 42.46 37.48 2jmr s ILE 144 CO 0.29 0.15 0.62 0.20 -0.10 0.00 0.00 174.94 176.10 2jmr s ASN 145 N 1.14 -0.80 0.00 3.58 0.01 -1.26 -3.44 114.94 114.18 2jmr s ASN 145 Ca 0.27 1.33 0.00 0.00 -0.71 0.00 0.00 52.86 53.75 2jmr s ASN 145 Cb -0.16 1.23 0.00 0.00 0.41 0.00 0.00 41.25 42.73 2jmr s ASN 145 CO 0.10 -0.23 0.00 0.00 -1.51 0.00 0.00 177.10 175.47 2jmr n ALA 146 N 4.00 0.00 -3.61 0.60 0.00 -1.26 -1.18 120.51 119.05 2jmr n ALA 146 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.14 2jmr n ALA 146 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 2jmr n ALA 146 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2jmr s THR 147 N -2.82 0.00 0.36 0.00 -1.32 -1.26 -4.74 115.64 105.87 2jmr s THR 147 Ca 0.00 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.31 2jmr s THR 147 Cb 0.00 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.04 2jmr s THR 147 CO 0.00 0.00 0.77 0.00 -2.21 0.00 0.00 174.62 173.18 2jmr s ALA 148 N -0.21 -0.87 -0.10 11.08 0.00 -1.21 -4.54 121.76 125.91 2jmr s ALA 148 Ca 0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 2jmr s ALA 148 Cb -0.03 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.84 2jmr s ALA 148 CO -0.03 -1.00 -0.01 0.95 0.00 0.00 0.00 175.76 175.67 2jmr s THR 149 N -2.76 0.53 -0.46 0.00 -4.23 -0.16 -1.34 115.64 107.23 2jmr s THR 149 Ca 0.14 -0.09 -0.25 0.00 -1.18 0.00 0.00 61.69 60.32 2jmr s THR 149 Cb -0.05 -0.73 0.03 0.00 1.34 0.00 0.00 72.50 73.09 2jmr s THR 149 CO 0.10 0.19 0.89 0.72 -0.54 0.00 0.00 174.62 175.98 2jmr s PHE 150 N 1.90 2.94 -0.21 3.99 -0.71 -1.23 -1.91 117.98 122.75 2jmr s PHE 150 Ca 0.04 0.33 0.01 0.00 -1.04 0.00 0.00 56.93 56.27 2jmr s PHE 150 Cb -0.13 -3.90 0.03 0.00 -1.21 0.00 0.00 43.02 37.82 2jmr s PHE 150 CO -0.06 -1.07 -0.16 0.95 -1.34 0.00 0.00 175.22 173.54 2jmr s THR 151 N 3.64 2.17 -0.22 -4.49 -4.23 -0.27 -4.68 115.64 107.57 2jmr s THR 151 Ca 0.35 -1.19 -0.29 0.00 -1.18 0.00 0.00 61.69 59.39 2jmr s THR 151 Cb -0.11 -2.06 0.01 0.00 1.34 0.00 0.00 72.50 71.68 2jmr s THR 151 CO 0.25 0.31 1.06 -0.76 -0.54 0.00 0.00 174.62 174.95 2jmr s LEU 152 N 1.23 4.12 -0.01 4.79 2.01 -1.26 -0.42 118.68 129.13 2jmr s LEU 152 Ca -0.00 1.42 -0.17 0.00 0.01 0.00 0.00 54.13 55.38 2jmr s LEU 152 Cb -0.16 -3.54 -0.06 0.00 0.01 0.00 0.00 46.19 42.45 2jmr s LEU 152 CO -0.09 -0.67 0.49 -0.70 1.01 0.00 0.00 176.35 176.39 2jmr s GLU 153 N 3.16 4.14 0.57 1.70 2.56 -0.51 -4.67 118.70 125.65 2jmr s GLU 153 Ca 0.45 0.54 0.07 0.00 0.00 0.00 0.00 54.97 56.03 2jmr s GLU 153 Cb -0.16 -3.29 0.10 0.00 2.00 0.00 0.00 34.13 32.78 2jmr s GLU 153 CO 0.07 0.51 0.79 0.66 -0.56 0.00 0.00 175.26 176.73 2jmr n TYR 154 N 2.36 -2.47 -2.31 5.30 4.02 -1.26 -0.40 117.16 122.39 2jmr n TYR 154 Ca -0.11 -1.91 -0.38 0.00 -0.01 0.00 0.00 57.90 55.49 2jmr n TYR 154 Cb 0.52 -0.55 -0.03 0.00 -0.02 0.00 0.00 39.34 39.25 2jmr n TYR 154 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2jmr s GLN 155 N -4.56 2.98 0.04 -0.72 2.00 -1.16 -4.72 119.66 113.52 2jmr s GLN 155 Ca 0.58 -0.09 -0.10 0.00 -2.00 0.00 0.00 55.36 53.76 2jmr s GLN 155 Cb -0.04 -4.54 0.00 0.00 0.80 0.00 0.00 33.01 29.24 2jmr s GLN 155 CO 0.37 -2.51 0.20 -0.51 -0.50 0.00 0.00 175.29 172.34 2jmr s ASP 156 N 5.95 0.03 -0.07 6.67 1.01 -1.26 -4.99 116.67 124.00 2jmr s ASP 156 Ca 0.52 -0.37 -0.08 0.00 0.71 0.00 0.00 52.55 53.33 2jmr s ASP 156 Cb -0.08 0.29 -0.03 0.00 1.01 0.00 0.00 42.92 44.11 2jmr s ASP 156 CO 0.11 -0.56 -0.15 0.59 0.21 0.00 0.00 175.17 175.37 2jmr n ASN 157 N 0.67 0.92 0.00 0.27 4.13 -1.26 -4.94 115.26 115.04 2jmr n ASN 157 Ca -0.19 0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.23 2jmr n ASN 157 Cb 0.59 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 38.26 2jmr n ASN 157 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2jmr n HIS 158 N -3.42 0.00 -0.79 3.10 -0.00 -1.26 -4.93 115.22 107.92 2jmr n HIS 158 Ca -0.06 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.82 2jmr n HIS 158 Cb 0.23 0.03 0.19 0.00 -0.12 0.00 0.00 29.99 30.32 2jmr n HIS 158 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jmr s HIS 159 N -1.94 1.72 0.00 1.57 5.04 -1.26 -3.74 115.29 116.68 2jmr s HIS 159 Ca 0.00 1.39 0.00 0.00 -1.54 0.00 0.00 55.06 54.91 2jmr s HIS 159 Cb 0.00 -3.19 0.00 0.00 0.04 0.00 0.00 32.58 29.43 2jmr s HIS 159 CO 0.00 -3.11 0.00 0.72 -2.34 0.00 0.00 174.74 170.01 2jmr n HIS 160 N -4.41 0.00 -1.65 3.88 8.25 -1.26 -4.83 115.22 115.20 2jmr n HIS 160 Ca 0.07 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 57.06 2jmr n HIS 160 Cb 0.54 -0.92 -0.04 0.00 1.12 0.00 0.00 29.99 30.68 2jmr n HIS 160 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jmr n HIS 161 N -1.30 2.28 -3.25 4.41 8.25 -1.25 -4.94 115.22 119.44 2jmr n HIS 161 Ca 0.00 -0.07 -0.03 0.00 -0.26 0.00 0.00 57.72 57.36 2jmr n HIS 161 Cb 0.00 -2.69 -0.04 0.00 1.12 0.00 0.00 29.99 28.38 2jmr n HIS 161 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jmr s HIS 162 N 4.83 -1.24 -1.73 4.41 -3.43 -1.26 -5.03 115.29 111.83 2jmr s HIS 162 Ca 0.94 1.21 0.09 0.00 -0.80 0.00 0.00 55.06 56.50 2jmr s HIS 162 Cb -0.62 0.27 0.51 0.00 -1.43 0.00 0.00 32.58 31.32 2jmr s HIS 162 CO 0.48 -0.83 1.09 0.72 -2.00 0.00 0.00 174.74 174.20 2jmr n HIS 163 N 5.40 0.00 -4.52 0.38 -0.00 -1.26 -4.47 115.22 110.75 2jmr n HIS 163 Ca -0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.49 2jmr n HIS 163 Cb 0.51 -0.13 -0.14 0.00 -0.00 0.00 0.00 29.99 30.22 2jmr n HIS 163 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2jmr s LYS 164 N -2.27 1.07 -0.09 -0.41 2.20 -1.26 -4.89 119.74 114.08 2jmr s LYS 164 Ca 0.12 -0.66 0.02 0.00 -0.36 0.00 0.00 55.97 55.09 2jmr s LYS 164 Cb 0.06 -1.07 0.01 0.00 -1.51 0.00 0.00 37.83 35.32 2jmr s LYS 164 CO 0.12 0.28 -0.16 1.14 -0.36 0.00 0.00 175.35 176.37 2jmr s GLN 165 N -0.78 2.20 0.00 4.03 -2.07 -1.26 -4.91 119.66 116.88 2jmr s GLN 165 Ca 0.04 -0.57 0.00 0.00 -1.82 0.00 0.00 55.36 53.01 2jmr s GLN 165 Cb -0.07 -1.81 0.00 0.00 -1.09 0.00 0.00 33.01 30.04 2jmr s GLN 165 CO 0.00 0.01 0.00 0.00 -1.32 0.00 0.00 175.29 173.98 2jmr n ALA 166 N 3.96 0.00 -1.48 2.60 0.00 -1.26 -3.65 120.51 120.68 2jmr n ALA 166 Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.08 2jmr n ALA 166 Cb 0.52 -0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 2jmr n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jmr n ASP 167 N 0.00 -4.89 -4.23 0.00 9.92 -1.26 -4.91 116.55 111.18 2jmr n ASP 167 Ca 0.00 0.38 -0.29 0.00 -0.53 0.00 0.00 54.79 54.35 2jmr n ASP 167 Cb 0.00 -3.79 -0.18 0.00 -0.64 0.00 0.00 41.12 36.51 2jmr n ASP 167 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2jmr n SER 168 N -0.56 -0.62 -4.81 -2.24 7.64 -1.24 -4.81 113.62 106.98 2jmr n SER 168 Ca -0.16 -0.20 -0.31 0.00 1.01 0.00 0.00 58.87 59.21 2jmr n SER 168 Cb 0.52 -0.67 0.05 0.00 -1.01 0.00 0.00 64.21 63.10 2jmr n SER 168 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jmr s THR 169 N 3.93 3.91 -0.17 0.44 -1.32 -1.26 -3.53 115.64 117.63 2jmr s THR 169 Ca 1.26 0.67 0.01 0.00 -1.21 0.00 0.00 61.69 62.42 2jmr s THR 169 Cb -0.98 -3.34 0.03 0.00 -1.51 0.00 0.00 72.50 66.70 2jmr s THR 169 CO 0.50 -0.76 -0.15 -0.51 -2.21 0.00 0.00 174.62 171.50 2jmr s ILE 170 N -2.91 1.73 -0.33 5.08 -1.16 -0.45 -3.35 121.20 119.80 2jmr s ILE 170 Ca 0.59 -0.83 0.03 0.00 -0.51 0.00 0.00 60.65 59.94 2jmr s ILE 170 Cb -0.15 -1.65 0.10 0.00 0.61 0.00 0.00 42.46 41.37 2jmr s ILE 170 CO 0.52 0.40 0.05 -0.89 -2.81 0.00 0.00 174.94 172.20 2jmr s THR 171 N 1.40 2.10 -0.27 4.00 2.01 -1.24 -3.29 115.64 120.35 2jmr s THR 171 Ca 0.03 -2.21 -0.29 0.00 0.31 0.00 0.00 61.69 59.53 2jmr s THR 171 Cb -0.14 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.84 2jmr s THR 171 CO -0.10 -0.59 1.07 -0.63 -0.69 0.00 0.00 174.62 173.68 2jmr s ILE 172 N 1.00 4.57 0.47 1.82 1.01 -1.26 -1.08 121.20 127.73 2jmr s ILE 172 Ca 0.10 1.86 -0.02 0.00 0.00 0.00 0.00 60.65 62.59 2jmr s ILE 172 Cb -0.19 -4.34 -0.01 0.00 0.01 0.00 0.00 42.46 37.93 2jmr s ILE 172 CO -0.10 -0.32 0.72 -0.13 0.00 0.00 0.00 174.94 175.11 2jmr s ARG 173 N 3.45 3.19 0.00 2.79 1.81 -0.63 -4.17 118.95 125.39 2jmr s ARG 173 Ca 0.45 -0.23 0.00 0.00 -1.72 0.00 0.00 55.73 54.23 2jmr s ARG 173 Cb -0.14 -2.48 0.00 0.00 -0.45 0.00 0.00 34.95 31.88 2jmr s ARG 173 CO 0.11 -0.28 0.00 0.41 -0.68 0.00 0.00 175.30 174.86 2jmr n GLY 174 N -2.17 -0.00 3.33 -3.53 0.00 -1.22 -2.72 105.19 98.87 2jmr n GLY 174 Ca 0.01 -1.28 -0.08 0.00 0.00 0.00 0.00 46.02 44.66 2jmr n GLY 174 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jmr s TYR 175 N -1.97 -0.82 -0.28 1.61 5.04 -1.26 -0.92 117.35 118.75 2jmr s TYR 175 Ca 0.00 1.58 -0.26 0.00 -2.44 0.00 0.00 57.07 55.95 2jmr s TYR 175 Cb 0.00 0.36 0.01 0.00 0.35 0.00 0.00 41.96 42.68 2jmr s TYR 175 CO 0.00 -0.47 0.92 0.14 -1.34 0.00 0.00 175.55 174.81 2jmr s VAL 176 N 2.27 4.70 0.25 3.14 -7.23 0.12 -0.75 120.40 122.90 2jmr s VAL 176 Ca -0.05 1.58 -0.30 0.00 -1.81 0.00 0.00 61.98 61.41 2jmr s VAL 176 Cb -0.11 -4.24 -0.09 0.00 0.56 0.00 0.00 36.38 32.50 2jmr s VAL 176 CO -0.14 -0.26 0.96 -0.13 -0.31 0.00 0.00 175.10 175.22 2jmr s ARG 177 N 3.17 4.81 0.44 4.82 1.81 -1.24 -2.36 118.95 130.39 2jmr s ARG 177 Ca 0.39 1.51 0.30 0.00 -1.72 0.00 0.00 55.73 56.21 2jmr s ARG 177 Cb -0.14 -3.22 1.44 0.00 -0.45 0.00 0.00 34.95 32.57 2jmr s ARG 177 CO 0.11 0.46 1.92 0.38 -0.68 0.00 0.00 175.30 177.49 2jmr h ASP 178 N 4.02 0.00 0.00 0.23 3.04 -1.95 0.35 116.42 122.11 2jmr h ASP 178 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 2jmr h ASP 178 Cb 1.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 2jmr h ASP 178 CO 0.68 0.00 0.00 -3.20 -2.04 0.00 0.00 179.24 174.68