#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 3.82 -0.26 3.04 0.00 -1.26 -5.01 121.76 122.09 2jmr s ALA 2 Ca 0.00 1.43 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 2jmr s ALA 2 Cb 0.00 -3.65 0.07 0.00 0.00 0.00 0.00 23.12 19.54 2jmr s ALA 2 CO 0.00 -0.85 0.68 0.34 0.00 0.00 0.00 175.76 175.92 2jmr s ASP 3 N 1.28 -0.79 -0.03 0.00 -1.08 -1.26 -5.08 116.67 109.71 2jmr s ASP 3 Ca 0.72 1.41 0.11 0.00 -0.52 0.00 0.00 52.55 54.27 2jmr s ASP 3 Cb -0.45 1.38 0.31 0.00 -1.46 0.00 0.00 42.92 42.69 2jmr s ASP 3 CO 0.32 -0.24 1.25 -1.20 0.52 0.00 0.00 175.17 175.82 2jmr n SER 4 N 3.29 2.97 -3.85 -0.34 7.64 -1.26 -4.90 113.62 117.18 2jmr n SER 4 Ca -0.16 -2.20 -0.27 0.00 1.01 0.00 0.00 58.87 57.24 2jmr n SER 4 Cb 0.56 -0.26 -0.17 0.00 -1.01 0.00 0.00 64.21 63.34 2jmr n SER 4 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jmr s THR 5 N -1.37 0.91 0.02 0.44 -1.32 -1.26 -5.12 115.64 107.94 2jmr s THR 5 Ca 0.24 -0.52 0.01 0.00 -1.21 0.00 0.00 61.69 60.21 2jmr s THR 5 Cb 0.15 -1.14 -0.02 0.00 -1.51 0.00 0.00 72.50 69.98 2jmr s THR 5 CO 0.12 0.08 -0.05 -0.51 -2.21 0.00 0.00 174.62 172.05 2jmr s ILE 6 N 1.72 0.34 -0.97 5.08 1.10 -1.26 -4.86 121.20 122.35 2jmr s ILE 6 Ca 0.01 -0.78 0.00 0.00 -0.51 0.00 0.00 60.65 59.37 2jmr s ILE 6 Cb -0.15 -0.40 0.00 0.00 0.15 0.00 0.00 42.46 42.05 2jmr s ILE 6 CO -0.07 -0.30 0.00 1.07 -2.11 0.00 0.00 174.94 173.53 2jmr n THR 7 N 1.91 -0.27 -0.08 4.00 5.66 -1.26 -4.82 114.28 119.42 2jmr n THR 7 Ca -0.20 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.63 2jmr n THR 7 Cb 0.56 -1.25 -0.05 0.00 -1.55 0.00 0.00 70.33 68.04 2jmr n THR 7 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2jmr n ILE 8 N -2.55 1.10 -4.28 1.09 5.41 -1.26 -4.93 119.36 113.95 2jmr n ILE 8 Ca -0.11 -0.14 -0.17 0.00 1.00 0.00 0.00 62.75 63.33 2jmr n ILE 8 Cb 0.48 -1.83 -0.14 0.00 -0.71 0.00 0.00 39.64 37.44 2jmr n ILE 8 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2jmr s ARG 9 N -2.40 0.68 -0.83 0.38 0.52 -1.26 -4.87 118.95 111.16 2jmr s ARG 9 Ca -0.24 -0.44 -0.04 0.00 -0.52 0.00 0.00 55.73 54.49 2jmr s ARG 9 Cb 0.08 -0.63 -0.04 0.00 0.52 0.00 0.00 34.95 34.88 2jmr s ARG 9 CO 0.31 0.16 0.72 0.41 0.02 0.00 0.00 175.30 176.93 2jmr n GLY 10 N 2.49 -0.60 2.72 -3.53 0.00 -1.26 -5.03 105.19 99.97 2jmr n GLY 10 Ca -0.16 0.32 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 2jmr n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jmr s TYR 11 N -3.30 0.00 0.00 1.61 -0.85 -1.26 -4.51 117.35 109.05 2jmr s TYR 11 Ca 0.29 0.32 0.00 0.00 -0.52 0.00 0.00 57.07 57.16 2jmr s TYR 11 Cb -0.04 -0.40 0.00 0.00 0.38 0.00 0.00 41.96 41.90 2jmr s TYR 11 CO 0.57 -0.19 0.00 1.33 -1.52 0.00 0.00 175.55 175.74 2jmr n VAL 12 N 5.14 0.00 -2.21 -3.49 0.24 -1.26 -4.94 118.33 111.82 2jmr n VAL 12 Ca -0.07 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.84 2jmr n VAL 12 Cb 0.50 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.85 2jmr n VAL 12 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2jmr s ARG 13 N 0.00 4.18 0.31 7.34 3.00 -1.26 -4.89 118.95 127.63 2jmr s ARG 13 Ca 0.00 2.01 0.01 0.00 -1.00 0.00 0.00 55.73 56.75 2jmr s ARG 13 Cb 0.00 -2.86 0.56 0.00 0.00 0.00 0.00 34.95 32.65 2jmr s ARG 13 CO 0.00 -0.26 1.93 -0.44 0.00 0.00 0.00 175.30 176.53 2jmr h ASP 14 N 2.98 0.86 -3.62 -2.12 5.19 -1.94 -3.20 116.42 114.56 2jmr h ASP 14 Ca -0.49 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.24 2jmr h ASP 14 Cb 1.23 -0.18 -0.26 0.00 0.18 0.00 0.00 39.33 40.30 2jmr h ASP 14 CO 0.64 0.56 -0.59 0.54 -3.12 0.00 0.00 179.24 177.27 2jmr s ASN 15 N -6.10 5.34 0.00 6.45 2.20 -1.26 -1.03 114.94 120.54 2jmr s ASN 15 Ca -0.11 -0.83 0.00 0.00 -0.94 0.00 0.00 52.86 50.98 2jmr s ASN 15 Cb 0.19 -1.92 0.00 0.00 -2.00 0.00 0.00 41.25 37.52 2jmr s ASN 15 CO 0.79 -0.26 0.00 0.61 -2.94 0.00 0.00 177.10 175.31 2jmr n GLY 16 N 4.89 0.21 3.73 0.45 0.00 -1.21 -5.01 105.19 108.25 2jmr n GLY 16 Ca -0.13 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 0.23 6.13 0.62 0.00 0.01 -0.03 -4.92 113.70 115.74 2jmr s SER 18 Ca 0.62 1.65 -0.17 0.00 1.31 0.00 0.00 55.95 59.35 2jmr s SER 18 Cb -0.53 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.16 2jmr s SER 18 CO 0.53 -0.93 1.16 0.54 0.41 0.00 0.00 173.24 174.95 2jmr s VAL 19 N -2.67 2.92 0.61 3.43 0.11 -1.26 -0.72 120.40 122.82 2jmr s VAL 19 Ca 0.60 0.51 -0.05 0.00 -2.93 0.00 0.00 61.98 60.11 2jmr s VAL 19 Cb -0.13 -3.11 0.02 0.00 -1.53 0.00 0.00 36.38 31.63 2jmr s VAL 19 CO 0.39 -0.19 0.90 0.00 -3.33 0.00 0.00 175.10 172.87 2jmr s ALA 20 N -1.93 3.35 -2.00 1.54 0.00 -0.21 -4.47 121.76 118.04 2jmr s ALA 20 Ca 0.72 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.94 2jmr s ALA 20 Cb -0.25 -2.52 0.59 0.00 0.00 0.00 0.00 23.12 20.93 2jmr s ALA 20 CO 0.36 -0.90 1.03 0.00 0.00 0.00 0.00 175.76 176.25 2jmr n ALA 21 N -2.62 1.87 -1.59 0.00 0.00 -1.26 -2.62 120.51 114.28 2jmr n ALA 21 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jmr n ALA 21 Cb 0.59 -1.16 0.19 0.00 0.00 0.00 0.00 19.45 19.07 2jmr n ALA 21 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jmr n GLU 22 N -1.00 1.83 0.01 0.00 0.28 -1.26 -4.69 120.64 115.81 2jmr n GLU 22 Ca 0.07 -3.35 0.00 0.00 -0.16 0.00 0.00 57.16 53.72 2jmr n GLU 22 Cb 0.03 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.17 2jmr n GLU 22 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2jmr n SER 23 N -1.09 -0.11 -4.73 -1.84 3.41 -1.08 -4.65 113.62 103.52 2jmr n SER 23 Ca 0.26 0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.48 2jmr n SER 23 Cb 0.81 0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 65.13 2jmr n SER 23 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2jmr s THR 24 N -1.04 2.73 -1.16 6.66 2.01 -1.22 -3.42 115.64 120.19 2jmr s THR 24 Ca 0.00 0.58 -0.02 0.00 0.31 0.00 0.00 61.69 62.56 2jmr s THR 24 Cb 0.00 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.14 2jmr s THR 24 CO 0.00 0.07 0.20 0.59 -0.69 0.00 0.00 174.62 174.80 2jmr n ASN 25 N 2.98 -4.56 -2.03 3.53 3.02 -1.13 -4.70 115.26 112.36 2jmr n ASN 25 Ca 0.09 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2jmr n ASN 25 Cb 0.40 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 2jmr n ASN 25 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2jmr n PHE 26 N -4.07 0.00 -3.80 3.10 -1.74 -1.22 -4.93 117.46 104.80 2jmr n PHE 26 Ca -0.13 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.64 2jmr n PHE 26 Cb 0.61 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.48 2jmr n PHE 26 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2jmr s THR 27 N 0.75 -0.01 -0.20 1.97 2.01 -1.26 -4.64 115.64 114.27 2jmr s THR 27 Ca 0.00 0.02 -0.25 0.00 0.31 0.00 0.00 61.69 61.77 2jmr s THR 27 Cb 0.00 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 2jmr s THR 27 CO 0.00 0.01 0.85 -0.69 -0.69 0.00 0.00 174.62 174.10 2jmr s VAL 28 N 0.25 4.85 -0.17 3.82 1.01 -0.38 -5.03 120.40 124.74 2jmr s VAL 28 Ca -0.01 1.65 -0.26 0.00 0.00 0.00 0.00 61.98 63.35 2jmr s VAL 28 Cb -0.03 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2jmr s VAL 28 CO -0.01 -0.02 0.89 -0.62 0.00 0.00 0.00 175.10 175.34 2jmr s ASP 29 N 1.22 7.02 -0.68 3.32 2.15 -1.26 -2.00 116.67 126.43 2jmr s ASP 29 Ca 0.38 1.25 -0.09 0.00 0.43 0.00 0.00 52.55 54.52 2jmr s ASP 29 Cb -0.16 -2.48 0.18 0.00 -0.30 0.00 0.00 42.92 40.16 2jmr s ASP 29 CO 0.10 -0.45 0.56 -0.76 -0.17 0.00 0.00 175.17 174.46 2jmr s LEU 30 N 2.29 5.99 0.98 -1.34 1.02 0.50 -4.94 118.68 123.18 2jmr s LEU 30 Ca 0.41 -2.59 -0.15 0.00 0.02 0.00 0.00 54.13 51.81 2jmr s LEU 30 Cb -0.17 -2.04 -0.07 0.00 0.02 0.00 0.00 46.19 43.93 2jmr s LEU 30 CO 0.12 -0.53 -0.29 0.23 0.02 0.00 0.00 176.35 175.91 2jmr n MET 31 N 4.00 -0.15 -1.79 1.70 2.81 -1.26 -4.14 117.12 118.28 2jmr n MET 31 Ca 0.07 -0.03 -0.39 0.00 -1.81 0.00 0.00 57.70 55.54 2jmr n MET 31 Cb 0.42 -1.38 0.03 0.00 -0.71 0.00 0.00 33.22 31.58 2jmr n MET 31 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2jmr s GLU 32 N -2.73 3.34 0.18 0.03 2.12 -1.26 -4.76 118.70 115.61 2jmr s GLU 32 Ca 0.47 2.30 0.07 0.00 0.36 0.00 0.00 54.97 58.18 2jmr s GLU 32 Cb -0.19 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.76 2jmr s GLU 32 CO 0.76 -1.06 0.02 -0.80 -0.54 0.00 0.00 175.26 173.64 2jmr s ASN 33 N -0.79 4.84 -0.00 -1.70 0.02 -0.14 -5.01 114.94 112.17 2jmr s ASN 33 Ca 0.68 -0.39 0.02 0.00 -1.02 0.00 0.00 52.86 52.16 2jmr s ASN 33 Cb -0.42 -1.05 -0.01 0.00 0.02 0.00 0.00 41.25 39.79 2jmr s ASN 33 CO 0.51 0.08 -0.08 0.00 0.02 0.00 0.00 177.10 177.63 2jmr s ALA 34 N -1.78 0.66 0.47 0.60 0.00 -1.26 -0.44 121.76 120.00 2jmr s ALA 34 Ca 0.28 -0.38 0.27 0.00 0.00 0.00 0.00 51.96 52.13 2jmr s ALA 34 Cb -0.09 -0.15 1.32 0.00 0.00 0.00 0.00 23.12 24.20 2jmr s ALA 34 CO 0.19 0.15 1.80 0.00 0.00 0.00 0.00 175.76 177.90 2jmr h ALA 35 N 5.81 2.64 0.00 0.00 0.00 -0.83 -2.32 119.26 124.55 2jmr h ALA 35 Ca -0.30 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2jmr h ALA 35 Cb 1.18 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jmr h ALA 35 CO 0.49 -1.00 -0.15 1.57 0.00 0.00 0.00 179.25 180.16 2jmr h LYS 36 N 0.20 0.00 -0.00 0.00 2.10 -1.91 -1.90 116.57 115.05 2jmr h LYS 36 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 2jmr h LYS 36 Cb 1.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.14 2jmr h LYS 36 CO -0.15 0.15 -0.03 0.00 -2.00 0.00 0.00 179.45 177.42 2jmr n GLN 37 N -3.50 0.98 0.00 0.07 10.64 -0.87 -4.83 117.38 119.87 2jmr n GLN 37 Ca -0.01 -0.24 0.00 0.00 -1.83 0.00 0.00 57.00 54.92 2jmr n GLN 37 Cb 0.30 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.19 2jmr n GLN 37 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2jmr n PHE 38 N -0.80 0.00 -1.92 2.61 3.72 -0.72 -4.45 117.46 115.90 2jmr n PHE 38 Ca 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 2jmr n PHE 38 Cb 0.21 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2jmr n PHE 38 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2jmr n ASN 39 N 0.00 -1.36 -0.80 4.37 5.15 -1.26 -4.93 115.26 116.43 2jmr n ASN 39 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2jmr n ASN 39 Cb 0.00 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.84 2jmr n ASN 39 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2jmr n ASN 40 N 1.39 0.00 -0.06 1.20 0.23 -1.26 -4.95 115.26 111.80 2jmr n ASN 40 Ca 0.00 -0.80 -0.03 0.00 -0.53 0.00 0.00 54.58 53.22 2jmr n ASN 40 Cb 0.41 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.99 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 0.00 0.76 0.48 1.53 5.41 -1.26 -4.30 119.36 121.98 2jmr n ILE 41 Ca 0.00 -0.58 0.00 0.00 1.00 0.00 0.00 62.75 63.17 2jmr n ILE 41 Cb 0.00 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 38.55 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 1.90 -0.11 2.99 7.39 0.00 -1.26 -4.53 105.19 111.56 2jmr n GLY 42 Ca -0.19 0.00 -0.43 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 n ALA 43 N -0.30 5.06 -2.28 4.61 0.00 -1.26 -4.98 120.51 121.37 2jmr n ALA 43 Ca 0.00 -4.31 -0.31 0.00 0.00 0.00 0.00 53.44 48.82 2jmr n ALA 43 Cb 0.02 -2.99 -0.05 0.00 0.00 0.00 0.00 19.45 16.42 2jmr n ALA 43 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jmr s THR 44 N 0.60 4.82 0.37 0.00 -4.23 -1.26 -3.14 115.64 112.80 2jmr s THR 44 Ca 0.40 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 2jmr s THR 44 Cb 0.07 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.23 2jmr s THR 44 CO 0.00 -0.22 0.58 0.42 -0.54 0.00 0.00 174.62 174.87 2jmr s THR 45 N -2.01 4.94 -0.29 3.99 -4.23 -1.25 -4.91 115.64 111.88 2jmr s THR 45 Ca 0.50 -0.42 -0.28 0.00 -1.18 0.00 0.00 61.69 60.31 2jmr s THR 45 Cb -0.11 -3.81 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 2jmr s THR 45 CO 0.23 -0.55 1.97 -2.16 -0.54 0.00 0.00 174.62 173.56 2jmr s PRO 46 N -4.38 3.23 1.21 3.99 0.04 -1.26 -4.94 135.00 132.89 2jmr s PRO 46 Ca 0.42 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.95 2jmr s PRO 46 Cb -0.10 -4.27 0.29 0.00 0.04 0.00 0.00 34.50 30.46 2jmr s PRO 46 CO 0.37 -1.98 1.03 0.54 0.04 0.00 0.00 177.00 176.99 2jmr s VAL 47 N 7.54 1.74 -0.03 -0.36 0.11 -1.26 -4.97 120.40 123.18 2jmr s VAL 47 Ca 0.88 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.96 2jmr s VAL 47 Cb -0.26 -2.22 -0.00 0.00 -1.53 0.00 0.00 36.38 32.37 2jmr s VAL 47 CO 0.34 0.00 -0.11 0.54 -3.33 0.00 0.00 175.10 172.53 2jmr s VAL 48 N -2.60 0.97 0.15 2.04 0.11 -1.17 -5.00 120.40 114.91 2jmr s VAL 48 Ca 0.68 -0.47 -0.30 0.00 -2.93 0.00 0.00 61.98 58.96 2jmr s VAL 48 Cb -0.19 -0.84 -0.07 0.00 -1.53 0.00 0.00 36.38 33.75 2jmr s VAL 48 CO 0.60 0.29 1.10 -2.16 -3.33 0.00 0.00 175.10 171.61 2jmr s PRO 49 N 0.06 4.57 0.01 1.54 0.04 -1.26 -1.52 135.00 138.44 2jmr s PRO 49 Ca -0.02 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.69 2jmr s PRO 49 Cb -0.08 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 2jmr s PRO 49 CO 0.01 0.03 0.06 0.12 0.04 0.00 0.00 177.00 177.26 2jmr s PHE 50 N 0.00 0.12 0.06 0.56 5.36 -0.41 -4.91 117.98 118.76 2jmr s PHE 50 Ca 0.51 -0.25 -0.09 0.00 -0.96 0.00 0.00 56.93 56.13 2jmr s PHE 50 Cb -0.29 -0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.29 2jmr s PHE 50 CO 0.34 -0.22 0.19 -0.98 -1.46 0.00 0.00 175.22 173.08 2jmr s ARG 51 N -1.26 0.76 -0.80 10.12 1.04 -1.26 -0.71 118.95 126.84 2jmr s ARG 51 Ca -0.14 -0.79 -0.13 0.00 -1.04 0.00 0.00 55.73 53.63 2jmr s ARG 51 Cb -0.08 0.31 0.21 0.00 -2.04 0.00 0.00 34.95 33.35 2jmr s ARG 51 CO 0.00 -0.23 0.72 0.42 -0.04 0.00 0.00 175.30 176.18 2jmr s ILE 52 N -3.18 5.37 -0.02 4.99 1.01 -1.26 -4.82 121.20 123.29 2jmr s ILE 52 Ca -0.00 -2.53 -0.30 0.00 0.00 0.00 0.00 60.65 57.82 2jmr s ILE 52 Cb 0.02 -4.34 -0.06 0.00 0.01 0.00 0.00 42.46 38.09 2jmr s ILE 52 CO -0.07 -1.01 1.67 -0.22 0.00 0.00 0.00 174.94 175.31 2jmr s LEU 53 N 0.14 4.34 -0.31 2.97 1.98 -1.26 -4.75 118.68 121.80 2jmr s LEU 53 Ca 0.18 2.32 -0.09 0.00 -2.89 0.00 0.00 54.13 53.65 2jmr s LEU 53 Cb -0.12 -3.54 -0.00 0.00 0.66 0.00 0.00 46.19 43.19 2jmr s LEU 53 CO -0.08 -0.92 0.14 -0.76 -1.89 0.00 0.00 176.35 172.84 2jmr s LEU 54 N 3.75 4.09 -0.10 -0.68 2.01 -0.80 -1.05 118.68 125.90 2jmr s LEU 54 Ca 0.75 -0.60 -0.26 0.00 0.01 0.00 0.00 54.13 54.03 2jmr s LEU 54 Cb -0.35 -1.98 0.06 0.00 0.01 0.00 0.00 46.19 43.93 2jmr s LEU 54 CO 0.31 -0.21 0.61 -0.94 1.01 0.00 0.00 176.35 177.14 2jmr s SER 55 N 1.58 -0.59 0.89 2.29 1.04 0.10 -3.67 113.70 115.34 2jmr s SER 55 Ca 0.04 0.78 -0.11 0.00 0.48 0.00 0.00 55.95 57.14 2jmr s SER 55 Cb -0.17 0.72 0.12 0.00 0.10 0.00 0.00 66.02 66.79 2jmr s SER 55 CO 0.05 -0.48 1.09 -2.16 0.98 0.00 0.00 173.24 172.73 2jmr s PRO 56 N -0.78 1.33 0.18 4.02 0.04 -1.26 -3.38 135.00 135.15 2jmr s PRO 56 Ca -0.08 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2jmr s PRO 56 Cb -0.02 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 2jmr s PRO 56 CO 0.07 -2.21 0.07 0.00 0.04 0.00 0.00 177.00 174.97 2jmr n GLY 58 N -0.25 5.45 0.04 0.00 0.00 -1.25 -4.20 105.19 104.98 2jmr n GLY 58 Ca -0.03 -2.10 0.03 0.00 0.00 0.00 0.00 46.02 43.92 2jmr n GLY 58 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jmr n ASN 59 N -0.60 0.26 -2.83 1.61 5.15 -0.94 -0.44 115.26 117.46 2jmr n ASN 59 Ca 0.00 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.67 2jmr n ASN 59 Cb 0.00 1.56 -0.05 0.00 -0.53 0.00 0.00 39.78 40.76 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jmr n ALA 60 N -2.41 6.66 -3.74 5.20 0.00 -0.20 -4.82 120.51 121.20 2jmr n ALA 60 Ca -0.15 -3.29 -0.29 0.00 0.00 0.00 0.00 53.44 49.71 2jmr n ALA 60 Cb 0.77 -2.47 -0.15 0.00 0.00 0.00 0.00 19.45 17.59 2jmr n ALA 60 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jmr s VAL 61 N -1.15 0.82 -0.05 0.00 1.01 -1.26 -4.13 120.40 115.64 2jmr s VAL 61 Ca 0.59 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 2jmr s VAL 61 Cb 0.29 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 2jmr s VAL 61 CO -0.14 -0.58 -0.05 -1.28 0.00 0.00 0.00 175.10 173.05 2jmr h SER 62 N 8.12 0.00 -5.10 3.32 0.87 -1.88 -3.39 113.55 115.48 2jmr h SER 62 Ca -0.14 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.43 2jmr h SER 62 Cb 1.03 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.92 2jmr h SER 62 CO 0.45 0.28 0.08 0.00 -0.53 0.00 0.00 176.83 177.10 2jmr s ALA 63 N -2.87 -0.84 0.34 6.23 0.00 -1.26 -1.30 121.76 122.06 2jmr s ALA 63 Ca -0.04 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.47 2jmr s ALA 63 Cb 0.01 0.93 -0.02 0.00 0.00 0.00 0.00 23.12 24.04 2jmr s ALA 63 CO 0.06 -0.94 0.17 1.33 0.00 0.00 0.00 175.76 176.38 2jmr n VAL 64 N -0.42 0.00 -4.04 0.00 0.24 -1.26 -3.46 118.33 109.40 2jmr n VAL 64 Ca -0.04 -2.14 -0.25 0.00 -2.04 0.00 0.00 64.34 59.88 2jmr n VAL 64 Cb 0.61 0.87 -0.05 0.00 -1.47 0.00 0.00 33.84 33.79 2jmr n VAL 64 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2jmr s LYS 65 N -3.33 2.28 0.02 7.34 -2.85 -1.24 -3.01 119.74 118.95 2jmr s LYS 65 Ca 0.24 -1.86 0.04 0.00 -1.00 0.00 0.00 55.97 53.38 2jmr s LYS 65 Cb 0.01 -2.04 -0.02 0.00 -2.06 0.00 0.00 37.83 33.73 2jmr s LYS 65 CO 0.17 -0.24 -0.12 0.54 0.10 0.00 0.00 175.35 175.81 2jmr s VAL 66 N -2.63 0.91 -0.31 1.79 0.11 -1.26 -3.49 120.40 115.52 2jmr s VAL 66 Ca 0.39 -0.75 -0.02 0.00 -2.93 0.00 0.00 61.98 58.67 2jmr s VAL 66 Cb 0.02 -0.81 0.10 0.00 -1.53 0.00 0.00 36.38 34.16 2jmr s VAL 66 CO 0.22 0.07 0.12 -0.83 -3.33 0.00 0.00 175.10 171.35 2jmr s GLY 67 N -0.77 0.91 -0.45 6.54 0.00 0.33 -4.87 107.32 109.00 2jmr s GLY 67 Ca 0.01 -1.56 -0.26 0.00 0.00 0.00 0.00 44.72 42.92 2jmr s GLY 67 CO 0.00 1.79 0.95 -1.36 0.00 0.00 0.00 173.10 174.48 2jmr s PHE 68 N 1.66 2.93 0.10 1.90 0.40 -1.26 -0.56 117.98 123.14 2jmr s PHE 68 Ca 0.11 0.48 0.08 0.00 -0.60 0.00 0.00 56.93 56.99 2jmr s PHE 68 Cb -0.18 -3.98 -0.03 0.00 0.51 0.00 0.00 43.02 39.34 2jmr s PHE 68 CO -0.26 -1.08 -0.19 0.95 0.70 0.00 0.00 175.22 175.34 2jmr s THR 69 N 3.80 1.58 -0.91 0.64 -4.23 -1.20 -3.05 115.64 112.28 2jmr s THR 69 Ca 0.39 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 2jmr s THR 69 Cb -0.10 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.28 2jmr s THR 69 CO 0.26 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 2jmr n GLY 70 N 1.09 -1.16 3.64 3.99 0.00 -1.26 -0.92 105.19 110.57 2jmr n GLY 70 Ca -0.20 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.00 3.30 0.29 1.61 1.01 -1.25 -4.88 120.40 117.47 2jmr s VAL 71 Ca 0.00 0.35 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 2jmr s VAL 71 Cb 0.00 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 2jmr s VAL 71 CO 0.00 -0.10 1.01 0.00 0.00 0.00 0.00 175.10 176.01 2jmr s ALA 72 N 5.43 3.31 0.60 5.51 0.00 -1.26 -0.95 121.76 134.40 2jmr s ALA 72 Ca 0.84 0.70 -0.17 0.00 0.00 0.00 0.00 51.96 53.34 2jmr s ALA 72 Cb -0.34 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2jmr s ALA 72 CO 0.35 0.03 1.10 0.34 0.00 0.00 0.00 175.76 177.58 2jmr s ASP 73 N -1.20 5.51 0.26 0.00 -1.08 -0.10 -4.38 116.67 115.68 2jmr s ASP 73 Ca 0.46 1.99 0.24 0.00 -0.52 0.00 0.00 52.55 54.72 2jmr s ASP 73 Cb -0.26 -2.55 0.96 0.00 -1.46 0.00 0.00 42.92 39.61 2jmr s ASP 73 CO 0.33 -1.36 1.73 -0.24 0.52 0.00 0.00 175.17 176.16 2jmr n SER 74 N -1.96 0.73 0.00 -0.34 2.88 -1.26 -3.40 113.62 110.27 2jmr n SER 74 Ca 0.10 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 2jmr n SER 74 Cb 0.52 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 2jmr n SER 74 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2jmr n HIS 75 N -2.28 0.00 -3.76 0.66 8.25 -1.26 -4.93 115.22 111.90 2jmr n HIS 75 Ca 0.03 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.19 2jmr n HIS 75 Cb 0.27 0.05 -0.15 0.00 1.12 0.00 0.00 29.99 31.28 2jmr n HIS 75 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2jmr s ASN 76 N -4.00 4.09 0.61 0.41 0.01 -1.26 -5.01 114.94 109.79 2jmr s ASN 76 Ca 0.00 -1.70 0.24 0.00 -0.71 0.00 0.00 52.86 50.69 2jmr s ASN 76 Cb 0.00 -0.93 1.28 0.00 0.41 0.00 0.00 41.25 42.01 2jmr s ASN 76 CO 0.00 -0.41 1.70 0.00 -1.51 0.00 0.00 177.10 176.88 2jmr h ALA 77 N 8.03 1.40 -1.01 0.60 0.00 -1.91 0.76 119.26 127.12 2jmr h ALA 77 Ca -0.13 0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.03 2jmr h ALA 77 Cb 1.01 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.68 2jmr h ALA 77 CO 0.48 -0.40 0.61 -0.91 0.00 0.00 0.00 179.25 179.03 2jmr h ASN 78 N 0.00 0.66 -3.67 0.00 4.21 -1.87 -3.30 115.58 111.61 2jmr h ASN 78 Ca 0.00 0.12 -0.48 0.00 1.21 0.00 0.00 56.30 57.16 2jmr h ASN 78 Cb 0.83 0.02 0.06 0.00 -1.12 0.00 0.00 38.32 38.10 2jmr h ASN 78 CO 0.00 0.13 0.18 -0.76 -1.29 0.00 0.00 177.43 175.69 2jmr s LEU 79 N -10.25 3.22 -0.26 1.61 2.01 0.26 -1.22 118.68 114.05 2jmr s LEU 79 Ca -0.11 0.72 -0.10 0.00 0.01 0.00 0.00 54.13 54.66 2jmr s LEU 79 Cb 0.27 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.88 2jmr s LEU 79 CO 0.80 -1.08 0.14 -0.22 1.01 0.00 0.00 176.35 177.00 2jmr s LEU 80 N -5.00 3.82 0.77 1.79 2.96 -0.52 -0.92 118.68 121.58 2jmr s LEU 80 Ca 0.54 -0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 54.27 2jmr s LEU 80 Cb -0.11 -2.04 0.06 0.00 0.50 0.00 0.00 46.19 44.60 2jmr s LEU 80 CO 0.45 -0.03 1.12 0.00 -1.32 0.00 0.00 176.35 176.58 2jmr s ALA 81 N 1.60 2.12 0.73 5.97 0.00 -0.13 -0.53 121.76 131.53 2jmr s ALA 81 Ca 0.07 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 2jmr s ALA 81 Cb -0.15 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.68 2jmr s ALA 81 CO 0.08 -1.88 0.35 1.28 0.00 0.00 0.00 175.76 175.58 2jmr n LEU 82 N -3.34 0.00 0.34 0.00 4.32 -1.26 -4.45 117.00 112.60 2jmr n LEU 82 Ca 0.10 -0.54 0.22 0.00 -0.02 0.00 0.00 56.01 55.78 2jmr n LEU 82 Cb 0.52 -0.25 1.21 0.00 -1.62 0.00 0.00 43.42 43.28 2jmr n LEU 82 CO 0.51 -0.71 1.19 1.05 -1.22 0.00 0.00 177.39 178.20 2jmr h GLU 83 N 0.00 0.00 -6.61 3.23 -0.00 -1.65 -3.46 114.58 106.09 2jmr h GLU 83 Ca -0.11 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.72 2jmr h GLU 83 Cb 0.36 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.07 2jmr h GLU 83 CO 0.10 0.00 -0.94 -1.71 -0.00 0.00 0.00 179.01 176.46 2jmr n ASN 84 N -3.13 -1.84 -4.72 3.06 2.85 -1.26 -5.01 115.26 105.21 2jmr n ASN 84 Ca -0.03 -1.11 -0.23 0.00 -0.11 0.00 0.00 54.58 53.10 2jmr n ASN 84 Cb 0.07 -2.64 0.10 0.00 1.24 0.00 0.00 39.78 38.55 2jmr n ASN 84 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2jmr s THR 85 N -3.85 2.22 0.31 -0.44 -1.32 -1.26 -4.97 115.64 106.32 2jmr s THR 85 Ca 0.19 -0.57 0.09 0.00 -1.21 0.00 0.00 61.69 60.19 2jmr s THR 85 Cb -0.08 -2.64 0.36 0.00 -1.51 0.00 0.00 72.50 68.62 2jmr s THR 85 CO 0.92 0.00 1.44 0.55 -2.21 0.00 0.00 174.62 175.31 2jmr n VAL 86 N -2.79 -0.38 -1.15 5.08 3.14 -1.26 -1.87 118.33 119.10 2jmr n VAL 86 Ca 0.14 1.95 0.07 0.00 -2.96 0.00 0.00 64.34 63.53 2jmr n VAL 86 Cb 0.60 -2.97 0.21 0.00 -1.06 0.00 0.00 33.84 30.62 2jmr n VAL 86 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2jmr n SER 87 N -5.23 2.94 -4.75 6.55 7.64 -1.26 -5.00 113.62 114.52 2jmr n SER 87 Ca 0.27 -3.25 -0.32 0.00 1.01 0.00 0.00 58.87 56.58 2jmr n SER 87 Cb 0.90 -0.52 0.08 0.00 -1.01 0.00 0.00 64.21 63.66 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 -2.96 2.24 0.08 -0.43 0.00 -0.78 -3.05 121.76 116.86 2jmr s ALA 88 Ca 0.39 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 2jmr s ALA 88 Cb 0.34 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 2jmr s ALA 88 CO 0.04 -1.70 1.06 0.00 0.00 0.00 0.00 175.76 175.16 2jmr s ALA 89 N -2.52 3.28 0.64 0.00 0.00 -1.20 -4.68 121.76 117.28 2jmr s ALA 89 Ca 0.66 0.69 -0.07 0.00 0.00 0.00 0.00 51.96 53.24 2jmr s ALA 89 Cb -0.21 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.58 2jmr s ALA 89 CO 0.49 -0.24 0.96 -1.12 0.00 0.00 0.00 175.76 175.86 2jmr s SER 90 N 0.57 5.34 -1.20 0.00 0.01 -1.26 -4.41 113.70 112.75 2jmr s SER 90 Ca 0.52 0.70 -0.08 0.00 1.31 0.00 0.00 55.95 58.40 2jmr s SER 90 Cb -0.26 -1.56 0.06 0.00 0.21 0.00 0.00 66.02 64.48 2jmr s SER 90 CO 0.30 -1.26 0.40 0.61 0.41 0.00 0.00 173.24 173.70 2jmr n GLY 91 N -2.74 -0.48 2.86 3.44 0.00 -1.26 -4.67 105.19 102.33 2jmr n GLY 91 Ca 0.06 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 -6.31 1.23 -0.04 0.99 1.43 -1.26 -0.80 118.68 113.91 2jmr s LEU 92 Ca 0.34 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2jmr s LEU 92 Cb -0.18 -0.37 0.03 0.00 0.03 0.00 0.00 46.19 45.70 2jmr s LEU 92 CO 0.42 -0.08 0.02 -0.83 0.23 0.00 0.00 176.35 176.11 2jmr s GLY 93 N 1.01 0.28 0.30 -3.19 0.00 -0.29 -4.81 107.32 100.62 2jmr s GLY 93 Ca -0.10 0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.44 2jmr s GLY 93 CO -0.01 0.92 1.61 1.39 0.00 0.00 0.00 173.10 177.02 2jmr n ILE 94 N 4.66 1.04 -3.85 0.90 5.41 0.31 -1.64 119.36 126.19 2jmr n ILE 94 Ca -0.16 -0.26 -0.30 0.00 1.00 0.00 0.00 62.75 63.03 2jmr n ILE 94 Cb 0.50 -2.00 -0.15 0.00 -0.71 0.00 0.00 39.64 37.28 2jmr n ILE 94 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2jmr s GLN 95 N -0.54 1.13 -0.20 0.38 0.74 0.48 -1.43 119.66 120.22 2jmr s GLN 95 Ca 0.64 -1.15 -0.03 0.00 0.05 0.00 0.00 55.36 54.87 2jmr s GLN 95 Cb -0.49 -2.43 -0.01 0.00 1.10 0.00 0.00 33.01 31.19 2jmr s GLN 95 CO 0.49 -0.83 -0.06 -0.51 -0.55 0.00 0.00 175.29 173.82 2jmr s LEU 96 N 1.43 2.84 0.20 3.68 1.02 -1.26 -1.17 118.68 125.41 2jmr s LEU 96 Ca 0.04 -0.38 0.08 0.00 0.02 0.00 0.00 54.13 53.89 2jmr s LEU 96 Cb -0.18 -1.71 -0.05 0.00 0.02 0.00 0.00 46.19 44.28 2jmr s LEU 96 CO -0.14 0.02 -0.16 -0.76 0.02 0.00 0.00 176.35 175.33 2jmr s LEU 97 N 1.24 2.53 0.98 1.79 1.02 -0.04 -3.84 118.68 122.36 2jmr s LEU 97 Ca 0.03 -0.98 -0.16 0.00 0.02 0.00 0.00 54.13 53.04 2jmr s LEU 97 Cb -0.14 -0.74 0.20 0.00 0.02 0.00 0.00 46.19 45.53 2jmr s LEU 97 CO -0.02 -0.12 1.30 0.54 0.02 0.00 0.00 176.35 178.06 2jmr s ASN 98 N -3.15 2.94 0.61 2.29 6.03 -1.25 -0.59 114.94 121.82 2jmr s ASN 98 Ca 0.21 0.32 0.31 0.00 -1.03 0.00 0.00 52.86 52.67 2jmr s ASN 98 Cb -0.02 -0.40 1.74 0.00 -3.03 0.00 0.00 41.25 39.53 2jmr s ASN 98 CO 0.07 -2.85 2.09 1.05 -2.03 0.00 0.00 177.10 175.44 2jmr h GLU 99 N -1.72 0.00 -0.04 3.55 4.11 -1.72 0.23 114.58 119.00 2jmr h GLU 99 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2jmr h GLU 99 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2jmr h GLU 99 CO 0.39 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.51 2jmr n GLN 100 N -3.57 1.18 -2.79 1.06 6.02 -1.26 -4.91 117.38 113.10 2jmr n GLN 100 Ca 0.01 -0.26 -0.18 0.00 -0.01 0.00 0.00 57.00 56.55 2jmr n GLN 100 Cb 0.33 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.25 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 -0.54 -2.97 -3.28 -1.09 6.02 0.82 -4.96 117.38 111.37 2jmr n GLN 101 Ca 0.15 0.67 -0.37 0.00 -0.01 0.00 0.00 57.00 57.44 2jmr n GLN 101 Cb 0.13 -5.36 -0.06 0.00 1.02 0.00 0.00 30.24 25.97 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 -2.34 6.99 -0.78 1.08 3.84 -1.26 -4.92 114.94 117.55 2jmr s ASN 102 Ca 0.16 1.22 -0.25 0.00 0.21 0.00 0.00 52.86 54.20 2jmr s ASN 102 Cb -0.08 -2.34 -0.07 0.00 -0.55 0.00 0.00 41.25 38.20 2jmr s ASN 102 CO 0.20 0.20 2.12 -1.58 -2.79 0.00 0.00 177.10 175.25 2jmr s GLN 103 N -1.45 2.23 -0.09 0.43 0.74 -1.26 -3.79 119.66 116.46 2jmr s GLN 103 Ca 0.33 0.26 -0.29 0.00 0.05 0.00 0.00 55.36 55.71 2jmr s GLN 103 Cb -0.18 -4.82 -0.06 0.00 1.10 0.00 0.00 33.01 29.05 2jmr s GLN 103 CO 0.19 -3.59 1.93 0.42 -0.55 0.00 0.00 175.29 173.69 2jmr s ILE 104 N 11.57 3.22 0.22 -2.34 1.01 -1.25 -4.97 121.20 128.66 2jmr s ILE 104 Ca 0.79 0.25 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 2jmr s ILE 104 Cb -0.11 -3.21 -0.08 0.00 0.01 0.00 0.00 42.46 39.07 2jmr s ILE 104 CO 0.08 -0.07 1.04 -2.16 0.00 0.00 0.00 174.94 173.83 2jmr s PRO 105 N 4.96 4.70 0.84 2.79 0.04 -1.26 -4.78 135.00 142.28 2jmr s PRO 105 Ca 0.86 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 63.44 2jmr s PRO 105 Cb -0.35 -3.26 0.10 0.00 0.04 0.00 0.00 34.50 31.03 2jmr s PRO 105 CO 0.36 0.26 1.15 -0.51 0.04 0.00 0.00 177.00 178.30 2jmr s LEU 106 N -0.91 3.00 -1.28 -3.56 1.02 -0.36 -3.95 118.68 112.64 2jmr s LEU 106 Ca 0.45 2.17 0.00 0.00 0.02 0.00 0.00 54.13 56.77 2jmr s LEU 106 Cb -0.29 -4.56 0.00 0.00 0.02 0.00 0.00 46.19 41.36 2jmr s LEU 106 CO 0.36 -2.70 0.00 0.59 0.02 0.00 0.00 176.35 174.61 2jmr n ASN 107 N -3.73 -4.38 -4.91 2.29 4.13 -1.17 -4.71 115.26 102.78 2jmr n ASN 107 Ca 0.12 0.16 -0.28 0.00 1.68 0.00 0.00 54.58 56.26 2jmr n ASN 107 Cb 0.52 -3.73 0.07 0.00 -1.54 0.00 0.00 39.78 35.10 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 -2.68 2.90 0.79 5.41 0.00 -1.25 -5.12 121.76 121.80 2jmr s ALA 108 Ca 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.22 2jmr s ALA 108 Cb 0.00 -2.83 0.15 0.00 0.00 0.00 0.00 23.12 20.44 2jmr s ALA 108 CO 0.00 -1.41 1.09 -1.25 0.00 0.00 0.00 175.76 174.19 2jmr s PRO 109 N -5.39 1.39 0.00 0.00 0.04 -1.26 -4.98 135.00 124.79 2jmr s PRO 109 Ca 0.60 -0.93 0.03 0.00 0.04 0.00 0.00 61.00 60.74 2jmr s PRO 109 Cb -0.11 -2.20 0.17 0.00 0.04 0.00 0.00 34.50 32.40 2jmr s PRO 109 CO 0.48 -1.72 0.61 0.45 0.04 0.00 0.00 177.00 176.86 2jmr n SER 110 N -3.09 0.00 0.00 6.66 2.88 -1.26 -2.77 113.62 116.04 2jmr n SER 110 Ca 0.15 -0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2jmr n SER 110 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2jmr n SER 110 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2jmr n SER 111 N -0.95 1.36 -0.26 -3.46 2.88 -1.26 -4.38 113.62 107.55 2jmr n SER 111 Ca 0.02 -1.52 0.12 0.00 -1.33 0.00 0.00 58.87 56.16 2jmr n SER 111 Cb 0.01 0.00 0.59 0.00 -0.75 0.00 0.00 64.21 64.06 2jmr n SER 111 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jmr n ALA 112 N -0.26 2.60 -3.62 -1.46 0.00 -1.11 -4.91 120.51 111.73 2jmr n ALA 112 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 2jmr n ALA 112 Cb 0.19 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.76 0.00 0.00 0.00 -0.00 -1.26 -4.85 118.68 110.81 2jmr s LEU 113 Ca 0.36 -0.83 0.00 0.00 -0.00 0.00 0.00 54.13 53.65 2jmr s LEU 113 Cb 0.18 2.44 0.00 0.00 -0.00 0.00 0.00 46.19 48.81 2jmr s LEU 113 CO 0.29 -1.35 0.00 -1.54 -0.00 0.00 0.00 176.35 173.74 2jmr n SER 114 N -0.66 0.00 -4.12 1.48 3.41 -1.26 -4.87 113.62 107.59 2jmr n SER 114 Ca -0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.46 2jmr n SER 114 Cb 0.60 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.47 2jmr n SER 114 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2jmr s TRP 115 N -1.63 0.85 0.68 7.33 -0.11 -1.17 -4.38 118.94 120.52 2jmr s TRP 115 Ca 0.00 -1.14 -0.07 0.00 1.22 0.00 0.00 56.10 56.11 2jmr s TRP 115 Cb 0.00 -0.31 0.15 0.00 -1.50 0.00 0.00 33.47 31.81 2jmr s TRP 115 CO 0.00 -0.73 0.93 -2.37 -4.62 0.00 0.00 176.95 170.16 2jmr n THR 116 N -0.28 0.00 -1.52 5.86 5.66 -1.26 -4.68 114.28 118.06 2jmr n THR 116 Ca -0.00 -0.99 -0.40 0.00 -3.05 0.00 0.00 64.05 59.61 2jmr n THR 116 Cb 0.64 -1.33 -0.07 0.00 -1.55 0.00 0.00 70.33 68.03 2jmr n THR 116 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2jmr n THR 117 N -3.04 -0.00 -1.58 1.09 -1.04 -1.26 -4.30 114.28 104.15 2jmr n THR 117 Ca 0.13 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.23 2jmr n THR 117 Cb 0.46 -2.04 -0.03 0.00 -1.82 0.00 0.00 70.33 66.90 2jmr n THR 117 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2jmr n LEU 118 N 13.46 2.91 -4.75 -4.42 -0.00 -0.42 -4.95 117.00 118.82 2jmr n LEU 118 Ca 0.45 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 56.05 2jmr n LEU 118 Cb 0.36 -1.55 -0.02 0.00 -0.00 0.00 0.00 43.42 42.21 2jmr n LEU 118 CO 0.77 -0.95 1.03 -0.89 -0.00 0.00 0.00 177.39 177.35 2jmr s THR 119 N 9.43 2.83 0.31 1.96 2.01 -1.26 -4.59 115.64 126.33 2jmr s THR 119 Ca 1.01 0.74 -0.28 0.00 0.31 0.00 0.00 61.69 63.46 2jmr s THR 119 Cb -0.32 -3.47 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 2jmr s THR 119 CO 0.33 0.14 1.13 -2.16 -0.69 0.00 0.00 174.62 173.37 2jmr s PRO 120 N -0.78 4.49 -1.38 4.92 0.04 -1.26 -3.99 135.00 137.04 2jmr s PRO 120 Ca 0.55 1.83 -0.14 0.00 0.04 0.00 0.00 61.00 63.28 2jmr s PRO 120 Cb -0.40 -3.05 0.12 0.00 0.04 0.00 0.00 34.50 31.22 2jmr s PRO 120 CO 0.45 0.07 0.55 0.41 0.04 0.00 0.00 177.00 178.51 2jmr n GLY 121 N 0.99 -0.46 3.59 0.56 0.00 0.42 -4.93 105.19 105.36 2jmr n GLY 121 Ca 0.00 0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -6.39 1.97 0.00 1.61 3.01 -1.26 -4.84 119.74 113.84 2jmr s LYS 122 Ca 0.54 -2.20 0.22 0.00 -1.01 0.00 0.00 55.97 53.52 2jmr s LYS 122 Cb -0.30 -1.04 1.08 0.00 -1.01 0.00 0.00 37.83 36.56 2jmr s LYS 122 CO 0.66 -0.36 1.72 -0.35 0.51 0.00 0.00 175.35 177.53 2jmr n PRO 123 N -0.99 0.24 -4.02 -1.68 -0.04 -1.26 -4.56 135.00 122.69 2jmr n PRO 123 Ca -0.09 0.09 -0.33 0.00 -0.04 0.00 0.00 63.50 63.12 2jmr n PRO 123 Cb 0.66 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.34 -3.36 -4.73 3.54 5.03 -1.24 -1.90 115.26 111.26 2jmr n ASN 124 Ca 0.09 -0.86 -0.42 0.00 0.87 0.00 0.00 54.58 54.27 2jmr n ASN 124 Cb 0.20 -2.76 -0.00 0.00 -1.02 0.00 0.00 39.78 36.19 2jmr n ASN 124 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 2jmr n THR 125 N -4.25 1.96 -4.41 3.41 -1.04 -1.26 -4.35 114.28 104.34 2jmr n THR 125 Ca 0.06 -0.49 -0.21 0.00 -2.04 0.00 0.00 64.05 61.37 2jmr n THR 125 Cb 0.50 -1.74 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 2jmr n THR 125 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2jmr n LEU 126 N 0.70 0.00 -3.85 -4.42 7.99 -1.26 -5.08 117.00 111.08 2jmr n LEU 126 Ca 0.04 -2.60 -0.28 0.00 -0.01 0.00 0.00 56.01 53.16 2jmr n LEU 126 Cb 0.37 0.87 -0.17 0.00 -0.11 0.00 0.00 43.42 44.38 2jmr n LEU 126 CO 0.63 -0.40 -0.41 0.20 -1.51 0.00 0.00 177.39 175.90 2jmr s ASN 127 N -3.08 2.75 0.40 -1.43 0.01 -1.26 -4.71 114.94 107.62 2jmr s ASN 127 Ca 0.17 -0.65 0.03 0.00 -0.71 0.00 0.00 52.86 51.70 2jmr s ASN 127 Cb 0.01 -0.81 -0.04 0.00 0.41 0.00 0.00 41.25 40.83 2jmr s ASN 127 CO 0.12 -0.21 0.08 -0.36 -1.51 0.00 0.00 177.10 175.22 2jmr s PHE 128 N 1.71 1.90 0.05 2.20 0.08 0.11 -1.92 117.98 122.10 2jmr s PHE 128 Ca 0.01 -1.09 -0.00 0.00 0.12 0.00 0.00 56.93 55.96 2jmr s PHE 128 Cb -0.15 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 40.94 2jmr s PHE 128 CO -0.07 -0.07 -0.03 0.71 -0.10 0.00 0.00 175.22 175.65 2jmr s TYR 129 N -3.15 0.53 -0.06 0.36 2.02 0.24 -1.29 117.35 116.00 2jmr s TYR 129 Ca 0.25 -0.97 -0.03 0.00 -0.37 0.00 0.00 57.07 55.95 2jmr s TYR 129 Cb 0.05 -0.38 0.04 0.00 -0.40 0.00 0.00 41.96 41.27 2jmr s TYR 129 CO 0.13 -0.32 0.13 0.00 -1.57 0.00 0.00 175.55 173.92 2jmr s ALA 130 N -3.51 -0.18 0.10 3.71 0.00 -0.58 -0.86 121.76 120.44 2jmr s ALA 130 Ca 0.04 0.59 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 2jmr s ALA 130 Cb 0.05 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.67 2jmr s ALA 130 CO -0.08 -0.26 0.25 -2.13 0.00 0.00 0.00 175.76 173.54 2jmr n ARG 131 N 4.51 0.30 -4.29 0.00 3.00 -0.32 -3.02 116.66 116.84 2jmr n ARG 131 Ca -0.21 -0.60 -0.35 0.00 -0.00 0.00 0.00 57.85 56.70 2jmr n ARG 131 Cb 0.51 0.76 -0.10 0.00 0.00 0.00 0.00 32.46 33.63 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 3.57 0.01 6.15 0.20 -1.26 -0.39 118.68 126.96 2jmr s LEU 132 Ca 0.05 0.07 -0.16 0.00 0.69 0.00 0.00 54.13 54.78 2jmr s LEU 132 Cb -0.01 -1.85 -0.06 0.00 -0.43 0.00 0.00 46.19 43.84 2jmr s LEU 132 CO 0.03 0.28 0.44 -0.32 -0.29 0.00 0.00 176.35 176.50 2jmr s MET 133 N -0.31 3.98 -0.22 1.98 -2.45 -0.65 -3.86 119.30 117.77 2jmr s MET 133 Ca 0.07 0.48 -0.28 0.00 -1.25 0.00 0.00 55.69 54.71 2jmr s MET 133 Cb -0.12 -3.23 0.00 0.00 1.25 0.00 0.00 34.83 32.73 2jmr s MET 133 CO 0.02 0.67 0.98 0.00 1.05 0.00 0.00 175.02 177.75 2jmr s ALA 134 N -1.06 3.64 -0.33 4.11 0.00 -1.19 -1.14 121.76 125.80 2jmr s ALA 134 Ca 0.25 0.13 0.22 0.00 0.00 0.00 0.00 51.96 52.56 2jmr s ALA 134 Cb -0.17 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 2jmr s ALA 134 CO 0.15 -0.95 0.86 0.25 0.00 0.00 0.00 175.76 176.06 2jmr n THR 135 N 5.19 0.25 -4.07 0.00 -2.24 0.02 -4.43 114.28 109.00 2jmr n THR 135 Ca 0.10 -0.41 -0.15 0.00 -2.27 0.00 0.00 64.05 61.32 2jmr n THR 135 Cb 0.47 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 2jmr n THR 135 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2jmr s GLN 136 N -3.34 1.98 -1.03 -0.78 -1.52 -0.93 -4.90 119.66 109.14 2jmr s GLN 136 Ca -0.01 -1.77 -0.09 0.00 -1.95 0.00 0.00 55.36 51.54 2jmr s GLN 136 Cb 0.13 0.46 0.26 0.00 -0.22 0.00 0.00 33.01 33.64 2jmr s GLN 136 CO 0.83 -0.83 1.00 0.08 -0.25 0.00 0.00 175.29 176.12 2jmr s VAL 137 N -2.90 5.70 -0.14 1.09 1.01 -1.26 -4.61 120.40 119.28 2jmr s VAL 137 Ca 0.30 -3.31 0.19 0.00 0.00 0.00 0.00 61.98 59.15 2jmr s VAL 137 Cb -0.01 -4.45 -0.14 0.00 0.00 0.00 0.00 36.38 31.78 2jmr s VAL 137 CO 0.21 -1.14 0.77 -0.81 0.00 0.00 0.00 175.10 174.12 2jmr n PRO 138 N 2.88 0.63 -2.96 2.72 -0.04 -1.26 -5.04 135.00 131.93 2jmr n PRO 138 Ca 0.22 0.13 -0.20 0.00 -0.04 0.00 0.00 63.50 63.61 2jmr n PRO 138 Cb 0.40 -1.76 0.01 0.00 -0.04 0.00 0.00 33.50 32.12 2jmr n PRO 138 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2jmr n VAL 139 N -2.76 -2.18 -3.99 0.52 0.24 -1.26 -4.96 118.33 103.95 2jmr n VAL 139 Ca -0.09 0.02 -0.30 0.00 -2.04 0.00 0.00 64.34 61.93 2jmr n VAL 139 Cb 0.77 -1.97 -0.16 0.00 -1.47 0.00 0.00 33.84 31.01 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 -1.79 1.50 0.59 3.34 2.01 -1.26 -5.02 115.64 115.00 2jmr s THR 140 Ca 0.12 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 61.17 2jmr s THR 140 Cb -0.01 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 2jmr s THR 140 CO 0.55 0.30 1.34 0.00 -0.69 0.00 0.00 174.62 176.13 2jmr s ALA 141 N 1.49 2.63 0.00 7.40 0.00 -1.26 -4.06 121.76 127.96 2jmr s ALA 141 Ca 0.02 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2jmr s ALA 141 Cb -0.14 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2jmr s ALA 141 CO -0.09 -1.50 0.00 0.41 0.00 0.00 0.00 175.76 174.58 2jmr n GLY 142 N 0.81 2.08 3.66 0.00 0.00 -0.83 -4.59 105.19 106.32 2jmr n GLY 142 Ca 0.13 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 1.98 -0.05 1.61 0.00 -1.17 -0.21 115.29 115.45 2jmr s HIS 143 Ca 0.00 1.33 0.02 0.00 -3.00 0.00 0.00 55.06 53.41 2jmr s HIS 143 Cb 0.00 -3.18 -0.03 0.00 -4.00 0.00 0.00 32.58 25.37 2jmr s HIS 143 CO 0.00 -2.81 -0.09 0.42 -1.00 0.00 0.00 174.74 171.26 2jmr s ILE 144 N -2.78 3.50 -0.29 -5.38 -1.09 0.15 -3.23 121.20 112.08 2jmr s ILE 144 Ca 0.65 -0.62 -0.21 0.00 -2.23 0.00 0.00 60.65 58.24 2jmr s ILE 144 Cb -0.20 -2.44 0.14 0.00 -1.58 0.00 0.00 42.46 38.38 2jmr s ILE 144 CO 0.59 0.55 1.03 0.20 -1.23 0.00 0.00 174.94 176.08 2jmr s ASN 145 N -0.93 -0.45 0.36 3.58 0.01 -1.24 -2.92 114.94 113.35 2jmr s ASN 145 Ca 0.13 0.80 -0.16 0.00 -0.71 0.00 0.00 52.86 52.92 2jmr s ASN 145 Cb -0.11 0.98 0.05 0.00 0.41 0.00 0.00 41.25 42.58 2jmr s ASN 145 CO 0.02 -0.13 0.76 0.00 -1.51 0.00 0.00 177.10 176.24 2jmr s ALA 146 N 0.71 -0.78 -0.20 0.60 0.00 -1.25 -1.58 121.76 119.25 2jmr s ALA 146 Ca -0.02 -0.69 -0.18 0.00 0.00 0.00 0.00 51.96 51.07 2jmr s ALA 146 Cb -0.04 0.73 0.05 0.00 0.00 0.00 0.00 23.12 23.86 2jmr s ALA 146 CO -0.11 -0.99 0.53 -0.08 0.00 0.00 0.00 175.76 175.12 2jmr s THR 147 N -2.69 -0.00 0.16 0.00 -1.32 -1.26 -4.08 115.64 106.45 2jmr s THR 147 Ca 0.15 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.39 2jmr s THR 147 Cb -0.05 -0.74 0.07 0.00 -1.51 0.00 0.00 72.50 70.27 2jmr s THR 147 CO 0.11 0.00 1.02 0.00 -2.21 0.00 0.00 174.62 173.53 2jmr s ALA 148 N 0.30 -1.65 -0.27 11.08 0.00 -1.15 -3.95 121.76 126.12 2jmr s ALA 148 Ca -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 2jmr s ALA 148 Cb -0.04 0.68 0.11 0.00 0.00 0.00 0.00 23.12 23.87 2jmr s ALA 148 CO 0.00 -1.05 0.21 0.95 0.00 0.00 0.00 175.76 175.87 2jmr s THR 149 N -2.69 -0.24 0.04 0.00 -4.23 -0.10 -1.31 115.64 107.12 2jmr s THR 149 Ca 0.17 -0.55 -0.30 0.00 -1.18 0.00 0.00 61.69 59.83 2jmr s THR 149 Cb -0.02 -0.93 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 2jmr s THR 149 CO 0.03 -0.54 1.00 0.72 -0.54 0.00 0.00 174.62 175.29 2jmr s PHE 150 N 2.23 3.68 0.24 3.99 -0.12 -1.26 -3.24 117.98 123.50 2jmr s PHE 150 Ca 0.09 1.69 0.10 0.00 -0.05 0.00 0.00 56.93 58.75 2jmr s PHE 150 Cb -0.15 -3.13 -0.04 0.00 -0.63 0.00 0.00 43.02 39.06 2jmr s PHE 150 CO -0.31 -0.08 -0.06 0.95 -0.05 0.00 0.00 175.22 175.66 2jmr s THR 151 N 0.74 3.22 -0.37 -4.49 -4.23 0.27 -4.51 115.64 106.27 2jmr s THR 151 Ca 0.51 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 59.13 2jmr s THR 151 Cb -0.22 -2.67 0.12 0.00 1.34 0.00 0.00 72.50 71.06 2jmr s THR 151 CO 0.29 -0.29 0.18 -0.76 -0.54 0.00 0.00 174.62 173.49 2jmr s LEU 152 N -3.37 2.22 -1.08 4.79 2.01 -1.26 -0.51 118.68 121.47 2jmr s LEU 152 Ca 0.29 -2.15 -0.21 0.00 0.01 0.00 0.00 54.13 52.07 2jmr s LEU 152 Cb -0.07 -0.86 0.07 0.00 0.01 0.00 0.00 46.19 45.34 2jmr s LEU 152 CO 0.18 -0.33 1.47 -1.61 1.01 0.00 0.00 176.35 177.06 2jmr s GLU 153 N 0.99 3.71 0.91 1.70 0.41 -1.23 -4.83 118.70 120.35 2jmr s GLU 153 Ca 0.14 -1.48 -0.11 0.00 -0.41 0.00 0.00 54.97 53.12 2jmr s GLU 153 Cb -0.21 -5.33 0.11 0.00 -1.78 0.00 0.00 34.13 26.92 2jmr s GLU 153 CO -0.10 -2.14 0.98 0.66 -0.49 0.00 0.00 175.26 174.17 2jmr n TYR 154 N 8.31 0.37 -1.77 1.61 4.01 -1.26 -3.59 117.16 124.84 2jmr n TYR 154 Ca 0.36 0.36 -0.41 0.00 -0.16 0.00 0.00 57.90 58.05 2jmr n TYR 154 Cb 0.49 -1.97 -0.03 0.00 -0.31 0.00 0.00 39.34 37.53 2jmr n TYR 154 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 2jmr s GLN 155 N -4.30 2.90 -0.28 -0.72 0.74 -1.22 -4.91 119.66 111.87 2jmr s GLN 155 Ca 0.66 1.52 -0.01 0.00 0.05 0.00 0.00 55.36 57.58 2jmr s GLN 155 Cb -0.24 -4.37 0.09 0.00 1.10 0.00 0.00 33.01 29.60 2jmr s GLN 155 CO 0.59 -2.37 0.08 -0.51 -0.55 0.00 0.00 175.29 172.53 2jmr s ASP 156 N 8.43 3.81 0.64 6.67 1.01 -1.26 -4.73 116.67 131.25 2jmr s ASP 156 Ca 0.89 -1.45 0.32 0.00 0.71 0.00 0.00 52.55 53.02 2jmr s ASP 156 Cb -0.24 -0.83 1.78 0.00 1.01 0.00 0.00 42.92 44.64 2jmr s ASP 156 CO 0.31 -0.38 2.05 -1.13 0.21 0.00 0.00 175.17 176.22 2jmr h ASN 157 N 8.11 0.00 -3.56 0.27 -0.73 -1.99 -3.31 115.58 114.37 2jmr h ASN 157 Ca -0.14 0.00 -0.60 0.00 1.87 0.00 0.00 56.30 57.43 2jmr h ASN 157 Cb 1.04 0.00 -0.38 0.00 0.27 0.00 0.00 38.32 39.25 2jmr h ASN 157 CO 0.44 0.00 -0.79 -1.38 -0.37 0.00 0.00 177.43 175.34 2jmr s HIS 158 N -4.29 2.23 0.57 0.67 -3.43 -1.26 -5.03 115.29 104.75 2jmr s HIS 158 Ca -0.04 -1.61 0.28 0.00 -0.80 0.00 0.00 55.06 52.89 2jmr s HIS 158 Cb 0.12 -1.52 1.49 0.00 -1.43 0.00 0.00 32.58 31.24 2jmr s HIS 158 CO 0.39 -0.75 1.97 1.12 -2.00 0.00 0.00 174.74 175.48 2jmr h HIS 159 N 7.99 0.00 -4.20 0.38 2.07 -2.01 -3.44 115.15 115.95 2jmr h HIS 159 Ca -0.19 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 56.81 2jmr h HIS 159 Cb 1.08 0.00 0.13 0.00 2.57 0.00 0.00 27.41 31.19 2jmr h HIS 159 CO 0.48 0.00 0.37 -1.58 -3.07 0.00 0.00 177.93 174.13 2jmr s HIS 160 N -4.77 2.30 -0.27 6.12 5.04 -1.26 -3.49 115.29 118.97 2jmr s HIS 160 Ca -0.05 1.59 0.00 0.00 -1.54 0.00 0.00 55.06 55.06 2jmr s HIS 160 Cb 0.17 -3.31 0.00 0.00 0.04 0.00 0.00 32.58 29.48 2jmr s HIS 160 CO 0.62 -2.17 0.00 1.58 -2.34 0.00 0.00 174.74 172.43 2jmr n HIS 161 N -2.72 -0.02 -1.60 3.88 -0.00 -1.26 -5.03 115.22 108.47 2jmr n HIS 161 Ca 0.12 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.47 2jmr n HIS 161 Cb 0.51 -0.95 0.06 0.00 -0.00 0.00 0.00 29.99 29.62 2jmr n HIS 161 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2jmr n HIS 162 N -3.10 1.06 -4.01 1.57 -0.00 -1.23 -5.01 115.22 104.51 2jmr n HIS 162 Ca -0.03 0.42 -0.32 0.00 -0.00 0.00 0.00 57.72 57.79 2jmr n HIS 162 Cb 0.16 -2.16 -0.15 0.00 -0.00 0.00 0.00 29.99 27.84 2jmr n HIS 162 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jmr s HIS 163 N -1.54 3.50 -0.47 -1.40 5.04 -1.26 -5.06 115.29 114.10 2jmr s HIS 163 Ca 0.78 -2.56 -0.33 0.00 -1.54 0.00 0.00 55.06 51.41 2jmr s HIS 163 Cb -0.39 -2.45 -0.12 0.00 0.04 0.00 0.00 32.58 29.66 2jmr s HIS 163 CO 0.45 -0.91 2.31 1.17 -2.34 0.00 0.00 174.74 175.42 2jmr n LYS 164 N 4.39 0.92 0.20 2.88 4.81 -1.26 -4.77 118.16 125.33 2jmr n LYS 164 Ca -0.06 0.20 0.10 0.00 -0.87 0.00 0.00 58.31 57.68 2jmr n LYS 164 Cb 0.42 -2.52 0.13 0.00 0.02 0.00 0.00 35.03 33.08 2jmr n LYS 164 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 2jmr h GLN 165 N 13.72 0.00 -3.27 1.64 -0.00 -1.93 -3.42 115.11 121.86 2jmr h GLN 165 Ca -0.23 0.00 -0.48 0.00 -0.00 0.00 0.00 58.65 57.94 2jmr h GLN 165 Cb 1.31 0.00 0.02 0.00 0.00 0.00 0.00 27.48 28.81 2jmr h GLN 165 CO 1.10 0.09 3.03 0.00 0.00 0.00 0.00 178.83 183.05 2jmr n ALA 166 N -2.13 5.73 -1.61 3.38 0.00 -1.26 -3.38 120.51 121.24 2jmr n ALA 166 Ca 0.03 -2.53 0.00 0.00 0.00 0.00 0.00 53.44 50.94 2jmr n ALA 166 Cb 0.57 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.90 2jmr n ALA 166 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jmr n ASP 167 N 3.96 0.00 -4.61 0.00 2.03 -1.26 -5.06 116.55 111.61 2jmr n ASP 167 Ca 0.57 -1.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.45 2jmr n ASP 167 Cb 0.17 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.54 2jmr n ASP 167 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2jmr s SER 168 N 0.00 6.01 -0.08 1.67 1.04 -1.22 -4.86 113.70 116.26 2jmr s SER 168 Ca 0.00 1.51 -0.30 0.00 0.48 0.00 0.00 55.95 57.65 2jmr s SER 168 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 2jmr s SER 168 CO 0.00 -1.58 1.68 -0.89 0.98 0.00 0.00 173.24 173.43 2jmr s THR 169 N 6.45 3.56 -0.25 2.02 2.01 -1.26 -4.01 115.64 124.16 2jmr s THR 169 Ca 0.80 0.67 -0.13 0.00 0.31 0.00 0.00 61.69 63.34 2jmr s THR 169 Cb -0.25 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2jmr s THR 169 CO 0.33 -0.10 0.29 -0.63 -0.69 0.00 0.00 174.62 173.82 2jmr s ILE 170 N 4.38 5.25 -0.03 1.82 -1.09 -0.43 -2.85 121.20 128.25 2jmr s ILE 170 Ca 0.74 0.42 -0.01 0.00 -2.23 0.00 0.00 60.65 59.57 2jmr s ILE 170 Cb -0.32 -3.62 0.03 0.00 -1.58 0.00 0.00 42.46 36.97 2jmr s ILE 170 CO 0.30 0.24 0.07 -0.89 -1.23 0.00 0.00 174.94 173.43 2jmr s THR 171 N 1.61 -0.05 -0.12 2.92 2.01 -1.26 -2.95 115.64 117.79 2jmr s THR 171 Ca 0.12 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.31 2jmr s THR 171 Cb -0.15 -0.13 0.02 0.00 0.01 0.00 0.00 72.50 72.25 2jmr s THR 171 CO 0.08 0.07 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.31 2jmr s ILE 172 N 0.96 1.50 -0.11 1.82 1.01 -1.26 -1.25 121.20 123.87 2jmr s ILE 172 Ca -0.08 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 59.95 2jmr s ILE 172 Cb -0.11 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 2jmr s ILE 172 CO -0.03 0.44 -0.13 -0.13 0.00 0.00 0.00 174.94 175.09 2jmr s ARG 173 N 1.14 3.15 0.16 2.79 1.81 -0.85 -3.58 118.95 123.57 2jmr s ARG 173 Ca -0.03 -0.67 -0.23 0.00 -1.72 0.00 0.00 55.73 53.08 2jmr s ARG 173 Cb -0.14 -2.58 0.08 0.00 -0.45 0.00 0.00 34.95 31.86 2jmr s ARG 173 CO -0.04 0.34 1.08 0.41 -0.68 0.00 0.00 175.30 176.41 2jmr n GLY 174 N 3.15 0.54 3.10 -3.53 0.00 -1.15 -0.37 105.19 106.93 2jmr n GLY 174 Ca -0.18 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.05 -0.28 -0.31 1.61 5.04 -1.26 -0.67 117.35 119.44 2jmr s TYR 175 Ca 0.24 0.67 -0.11 0.00 -2.44 0.00 0.00 57.07 55.43 2jmr s TYR 175 Cb -0.03 0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.33 2jmr s TYR 175 CO 0.05 -0.16 0.19 0.08 -1.34 0.00 0.00 175.55 174.38 2jmr s VAL 176 N 0.46 5.09 0.55 3.14 1.01 0.71 -0.96 120.40 130.39 2jmr s VAL 176 Ca -0.03 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 2jmr s VAL 176 Cb -0.04 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 2jmr s VAL 176 CO -0.02 0.13 1.01 -0.13 0.00 0.00 0.00 175.10 176.08 2jmr s ARG 177 N 1.71 3.77 -0.21 2.72 1.81 0.41 -1.96 118.95 127.19 2jmr s ARG 177 Ca 0.06 0.96 0.04 0.00 -1.72 0.00 0.00 55.73 55.07 2jmr s ARG 177 Cb -0.17 -2.11 0.39 0.00 -0.45 0.00 0.00 34.95 32.62 2jmr s ARG 177 CO 0.09 -0.43 1.39 -3.47 -0.68 0.00 0.00 175.30 172.21 2jmr n ASP 178 N -1.88 3.48 0.00 0.23 -0.08 -1.26 -0.13 116.55 116.90 2jmr n ASP 178 Ca 0.07 -2.75 0.00 0.00 -1.51 0.00 0.00 54.79 50.60 2jmr n ASP 178 Cb 0.54 -0.66 0.00 0.00 2.34 0.00 0.00 41.12 43.34 2jmr n ASP 178 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12