#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmr h ALA 2 N 0.00 1.55 -5.23 3.04 0.00 -2.07 -3.46 119.26 113.10 2jmr h ALA 2 Ca 0.00 -0.10 -0.37 0.00 0.00 0.00 0.00 54.91 54.44 2jmr h ALA 2 Cb 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2jmr h ALA 2 CO 0.00 0.36 -0.54 -0.25 0.00 0.00 0.00 179.25 178.81 2jmr n ASP 3 N -4.39 -3.96 -3.69 0.00 9.92 -1.26 -4.84 116.55 108.33 2jmr n ASP 3 Ca 0.03 -0.33 -0.02 0.00 -0.53 0.00 0.00 54.79 53.94 2jmr n ASP 3 Cb 0.14 -3.28 -0.01 0.00 -0.64 0.00 0.00 41.12 37.33 2jmr n ASP 3 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2jmr s SER 4 N -2.67 -0.14 -0.88 -2.24 0.01 -1.26 -4.81 113.70 101.72 2jmr s SER 4 Ca 0.36 -0.28 -0.05 0.00 1.31 0.00 0.00 55.95 57.29 2jmr s SER 4 Cb -0.19 0.35 -0.01 0.00 0.21 0.00 0.00 66.02 66.38 2jmr s SER 4 CO 0.44 -0.64 0.73 0.41 0.41 0.00 0.00 173.24 174.59 2jmr n THR 5 N -0.46 -7.81 -0.63 1.44 -1.04 -1.26 -4.92 114.28 99.60 2jmr n THR 5 Ca -0.07 -0.49 0.06 0.00 -2.04 0.00 0.00 64.05 61.52 2jmr n THR 5 Cb 0.61 -5.56 0.35 0.00 -1.82 0.00 0.00 70.33 63.92 2jmr n THR 5 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2jmr n ILE 6 N -2.62 2.37 -0.75 12.58 -0.00 -1.26 -4.94 119.36 124.74 2jmr n ILE 6 Ca -0.09 -1.21 0.00 0.00 -0.00 0.00 0.00 62.75 61.45 2jmr n ILE 6 Cb 0.57 -0.29 0.00 0.00 -0.00 0.00 0.00 39.64 39.92 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 0.56 0.00 -1.60 1.39 5.66 -1.26 -4.91 114.28 114.12 2jmr n THR 7 Ca 0.24 0.00 -0.47 0.00 -3.05 0.00 0.00 64.05 60.77 2jmr n THR 7 Cb 1.06 -0.61 -0.05 0.00 -1.55 0.00 0.00 70.33 69.18 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 -2.06 0.42 -0.03 1.09 2.08 -1.26 -4.89 119.36 114.72 2jmr n ILE 8 Ca 0.00 -0.25 -0.15 0.00 0.56 0.00 0.00 62.75 62.91 2jmr n ILE 8 Cb 0.18 -2.05 -0.10 0.00 -0.75 0.00 0.00 39.64 36.91 2jmr n ILE 8 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2jmr h ARG 9 N 11.88 0.22 0.00 0.38 -0.00 -2.01 -3.45 114.38 121.42 2jmr h ARG 9 Ca -0.41 -0.20 -0.05 0.00 -0.50 0.00 0.00 59.98 58.82 2jmr h ARG 9 Cb 1.27 0.05 0.02 0.00 0.00 0.00 0.00 29.97 31.31 2jmr h ARG 9 CO 0.97 0.88 0.04 0.41 0.00 0.00 0.00 179.97 182.27 2jmr n GLY 10 N 0.85 -1.49 3.10 0.04 0.00 -1.26 -5.11 105.19 101.31 2jmr n GLY 10 Ca -0.09 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.31 -0.55 0.48 1.61 -0.85 -1.26 -5.06 117.35 110.41 2jmr s TYR 11 Ca 0.09 1.15 -0.05 0.00 -0.52 0.00 0.00 57.07 57.74 2jmr s TYR 11 Cb -0.00 0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.39 2jmr s TYR 11 CO 0.06 -0.39 0.78 0.08 -1.52 0.00 0.00 175.55 174.56 2jmr s VAL 12 N 2.40 4.76 0.15 -3.49 1.01 -1.26 -5.05 120.40 118.92 2jmr s VAL 12 Ca -0.01 0.11 -0.34 0.00 0.00 0.00 0.00 61.98 61.75 2jmr s VAL 12 Cb -0.12 -3.81 -0.15 0.00 0.00 0.00 0.00 36.38 32.30 2jmr s VAL 12 CO -0.10 -0.78 1.30 -1.14 0.00 0.00 0.00 175.10 174.39 2jmr n ARG 13 N -2.26 1.39 -0.22 2.72 0.00 -1.26 -3.57 116.66 113.46 2jmr n ARG 13 Ca 0.01 0.50 -0.08 0.00 -0.00 0.00 0.00 57.85 58.27 2jmr n ARG 13 Cb 0.55 -2.09 0.03 0.00 0.00 0.00 0.00 32.46 30.95 2jmr n ARG 13 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2jmr h ASP 14 N 4.16 0.97 0.33 6.15 5.19 -1.91 -3.17 116.42 128.14 2jmr h ASP 14 Ca -0.45 -0.25 0.00 0.00 -0.62 0.00 0.00 57.03 55.71 2jmr h ASP 14 Cb 1.32 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.58 2jmr h ASP 14 CO 0.75 0.96 -0.04 0.59 -3.12 0.00 0.00 179.24 178.39 2jmr n ASN 15 N -4.30 0.22 -3.26 6.45 5.03 -1.23 -4.01 115.26 114.15 2jmr n ASN 15 Ca 0.04 -0.57 0.03 0.00 0.87 0.00 0.00 54.58 54.95 2jmr n ASN 15 Cb 0.26 -0.13 -0.03 0.00 -1.02 0.00 0.00 39.78 38.86 2jmr n ASN 15 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2jmr s GLY 16 N -2.37 -0.24 0.62 7.41 0.00 -1.20 -4.60 107.32 106.96 2jmr s GLY 16 Ca 0.34 2.95 -0.10 0.00 0.00 0.00 0.00 44.72 47.91 2jmr s GLY 16 CO 0.44 3.49 1.02 0.00 0.00 0.00 0.00 173.10 178.04 2jmr n SER 18 N -2.75 -1.50 -4.19 0.00 3.41 -1.16 -4.93 113.62 102.50 2jmr n SER 18 Ca 0.06 -1.02 -0.28 0.00 -0.26 0.00 0.00 58.87 57.37 2jmr n SER 18 Cb 0.55 -0.70 -0.16 0.00 -0.26 0.00 0.00 64.21 63.64 2jmr n SER 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jmr s VAL 19 N -2.48 1.67 0.56 -3.33 0.11 -1.26 -2.96 120.40 112.71 2jmr s VAL 19 Ca 0.50 -0.86 -0.19 0.00 -2.93 0.00 0.00 61.98 58.49 2jmr s VAL 19 Cb -0.04 -1.42 -0.05 0.00 -1.53 0.00 0.00 36.38 33.34 2jmr s VAL 19 CO 0.38 0.47 1.17 0.00 -3.33 0.00 0.00 175.10 173.79 2jmr s ALA 20 N -0.13 2.64 -0.93 1.54 0.00 -1.10 -4.77 121.76 119.02 2jmr s ALA 20 Ca -0.01 0.93 0.10 0.00 0.00 0.00 0.00 51.96 52.98 2jmr s ALA 20 Cb -0.11 -3.41 0.43 0.00 0.00 0.00 0.00 23.12 20.02 2jmr s ALA 20 CO 0.02 -0.96 1.31 0.00 0.00 0.00 0.00 175.76 176.13 2jmr n ALA 21 N -1.38 1.37 1.10 0.00 0.00 -1.26 -0.69 120.51 119.65 2jmr n ALA 21 Ca 0.12 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.68 2jmr n ALA 21 Cb 0.50 -1.16 0.44 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.59 0.21 -0.04 0.00 0.28 -1.26 -4.45 120.64 113.78 2jmr n GLU 22 Ca 0.02 -0.09 -0.10 0.00 -0.16 0.00 0.00 57.16 56.84 2jmr n GLU 22 Cb 0.10 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.44 2jmr n GLU 22 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2jmr n SER 23 N -1.32 0.69 -4.67 -1.84 7.64 0.13 -4.57 113.62 109.67 2jmr n SER 23 Ca 0.08 0.12 -0.42 0.00 1.01 0.00 0.00 58.87 59.66 2jmr n SER 23 Cb 0.33 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 2jmr n SER 23 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jmr s THR 24 N -2.18 3.45 -0.36 0.44 -1.32 -0.66 -2.87 115.64 112.15 2jmr s THR 24 Ca -0.13 0.68 -0.10 0.00 -1.21 0.00 0.00 61.69 60.93 2jmr s THR 24 Cb 0.05 -3.44 0.01 0.00 -1.51 0.00 0.00 72.50 67.61 2jmr s THR 24 CO 0.16 -0.04 0.31 0.59 -2.21 0.00 0.00 174.62 173.43 2jmr n ASN 25 N 6.59 -7.80 -3.83 8.08 5.03 -1.26 -4.79 115.26 117.28 2jmr n ASN 25 Ca 0.17 0.89 -0.16 0.00 0.87 0.00 0.00 54.58 56.34 2jmr n ASN 25 Cb 0.42 -4.99 -0.09 0.00 -1.02 0.00 0.00 39.78 34.10 2jmr n ASN 25 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2jmr s PHE 26 N -2.05 1.49 0.01 3.10 -0.71 -1.14 -4.86 117.98 113.83 2jmr s PHE 26 Ca 0.14 -1.49 0.06 0.00 -1.04 0.00 0.00 56.93 54.60 2jmr s PHE 26 Cb -0.03 -0.68 -0.02 0.00 -1.21 0.00 0.00 43.02 41.07 2jmr s PHE 26 CO 0.75 -0.71 -0.19 0.99 -1.34 0.00 0.00 175.22 174.72 2jmr s THR 27 N -3.77 1.50 -0.28 -4.49 2.01 -1.26 -4.12 115.64 105.23 2jmr s THR 27 Ca 0.39 -0.97 -0.14 0.00 0.31 0.00 0.00 61.69 61.28 2jmr s THR 27 Cb 0.05 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 2jmr s THR 27 CO 0.19 0.29 0.33 -0.69 -0.69 0.00 0.00 174.62 174.05 2jmr s VAL 28 N -0.62 5.20 -0.16 3.82 1.01 0.01 -5.00 120.40 124.66 2jmr s VAL 28 Ca 0.07 0.39 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 2jmr s VAL 28 Cb -0.08 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2jmr s VAL 28 CO 0.00 0.13 1.10 -0.62 0.00 0.00 0.00 175.10 175.72 2jmr s ASP 29 N 1.68 7.10 -0.68 3.32 2.15 -1.26 -1.79 116.67 127.20 2jmr s ASP 29 Ca 0.13 1.54 0.01 0.00 0.43 0.00 0.00 52.55 54.66 2jmr s ASP 29 Cb -0.16 -2.55 0.17 0.00 -0.30 0.00 0.00 42.92 40.08 2jmr s ASP 29 CO 0.10 -0.62 0.48 -0.22 -0.17 0.00 0.00 175.17 174.75 2jmr s LEU 30 N 2.83 4.99 0.05 -1.34 2.96 0.21 -4.93 118.68 123.43 2jmr s LEU 30 Ca 0.49 -3.32 -0.06 0.00 -0.22 0.00 0.00 54.13 51.02 2jmr s LEU 30 Cb -0.18 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.75 2jmr s LEU 30 CO 0.13 -0.23 0.38 1.15 -1.32 0.00 0.00 176.35 176.46 2jmr n MET 31 N 2.79 -0.09 -3.89 1.98 0.00 -1.26 -4.04 117.12 112.60 2jmr n MET 31 Ca 0.13 0.37 -0.02 0.00 0.00 0.00 0.00 57.70 58.18 2jmr n MET 31 Cb 0.36 -0.55 0.01 0.00 0.00 0.00 0.00 33.22 33.04 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 -5.16 1.07 0.16 3.17 2.02 -1.26 -4.78 118.70 113.92 2jmr s GLU 32 Ca -0.03 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.28 2jmr s GLU 32 Cb 0.04 0.30 -0.00 0.00 0.10 0.00 0.00 34.13 34.57 2jmr s GLU 32 CO 0.16 -0.50 0.03 0.09 0.02 0.00 0.00 175.26 175.06 2jmr n ASN 33 N -1.14 1.63 -3.66 -0.19 4.13 0.83 -4.81 115.26 112.06 2jmr n ASN 33 Ca -0.02 -1.77 -0.14 0.00 1.68 0.00 0.00 54.58 54.34 2jmr n ASN 33 Cb 0.59 0.26 -0.08 0.00 -1.54 0.00 0.00 39.78 39.02 2jmr n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jmr s ALA 34 N -2.35 -1.57 0.07 5.41 0.00 -1.26 -2.62 121.76 119.43 2jmr s ALA 34 Ca 0.04 1.80 -0.28 0.00 0.00 0.00 0.00 51.96 53.52 2jmr s ALA 34 Cb 0.00 -1.04 -0.17 0.00 0.00 0.00 0.00 23.12 21.91 2jmr s ALA 34 CO 0.03 -0.30 1.62 0.00 0.00 0.00 0.00 175.76 177.11 2jmr h ALA 35 N 5.14 -0.44 0.00 0.00 0.00 -0.82 -3.36 119.26 119.77 2jmr h ALA 35 Ca -0.28 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jmr h ALA 35 Cb 1.17 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2jmr h ALA 35 CO 0.10 -0.72 -0.01 0.87 0.00 0.00 0.00 179.25 179.49 2jmr h LYS 36 N -0.50 0.00 0.00 0.00 1.57 -1.84 -1.24 116.57 114.57 2jmr h LYS 36 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2jmr h LYS 36 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2jmr h LYS 36 CO 0.07 0.01 0.00 0.00 -0.57 0.00 0.00 179.45 178.96 2jmr n GLN 37 N -3.11 0.61 0.00 3.15 10.64 -1.26 -4.68 117.38 122.74 2jmr n GLN 37 Ca -0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2jmr n GLN 37 Cb 0.25 -1.41 0.00 0.00 -0.86 0.00 0.00 30.24 28.22 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 -0.91 0.00 -0.52 2.61 3.72 -0.47 -3.31 117.46 118.58 2jmr n PHE 38 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 2jmr n PHE 38 Cb 0.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 2jmr n PHE 38 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2jmr n ASN 39 N 0.00 -1.57 0.00 4.37 3.02 -1.26 -4.81 115.26 115.00 2jmr n ASN 39 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2jmr n ASN 39 Cb 0.00 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2jmr n ASN 39 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2jmr n ASN 40 N 0.04 0.00 -0.83 6.41 6.94 -1.26 -4.85 115.26 121.70 2jmr n ASN 40 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.67 2jmr n ASN 40 Cb 0.00 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 37.50 2jmr n ASN 40 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2jmr n ILE 41 N -0.10 0.00 1.08 1.53 -0.00 -1.26 -3.43 119.36 117.17 2jmr n ILE 41 Ca 0.00 -0.45 0.12 0.00 -0.00 0.00 0.00 62.75 62.42 2jmr n ILE 41 Cb 0.00 1.43 0.33 0.00 -0.00 0.00 0.00 39.64 41.41 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 1.32 0.62 3.47 7.39 0.00 -1.26 -4.81 105.19 111.93 2jmr n GLY 42 Ca 0.13 -0.54 -0.49 0.00 0.00 0.00 0.00 46.02 45.12 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 0.70 1.20 -3.05 4.61 0.00 -1.22 -4.96 120.51 117.78 2jmr n ALA 43 Ca 0.17 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 2jmr n ALA 43 Cb 0.44 -2.61 -0.15 0.00 0.00 0.00 0.00 19.45 17.13 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 7.42 0.64 0.59 0.00 -4.23 -1.21 -2.71 115.64 116.15 2jmr s THR 44 Ca 1.08 -0.29 0.03 0.00 -1.18 0.00 0.00 61.69 61.33 2jmr s THR 44 Cb -0.77 -0.58 0.07 0.00 1.34 0.00 0.00 72.50 72.56 2jmr s THR 44 CO 0.47 0.21 0.82 0.42 -0.54 0.00 0.00 174.62 176.00 2jmr s THR 45 N 0.21 2.46 -1.16 3.99 -4.23 -1.25 -4.90 115.64 110.76 2jmr s THR 45 Ca -0.03 -0.73 -0.21 0.00 -1.18 0.00 0.00 61.69 59.54 2jmr s THR 45 Cb -0.08 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 71.06 2jmr s THR 45 CO 0.00 0.00 1.71 -2.16 -0.54 0.00 0.00 174.62 173.63 2jmr s PRO 46 N -4.82 3.46 0.74 3.99 0.05 -1.26 -4.98 135.00 132.18 2jmr s PRO 46 Ca 0.61 -1.42 -0.16 0.00 0.05 0.00 0.00 61.00 60.08 2jmr s PRO 46 Cb -0.08 -5.39 0.01 0.00 0.05 0.00 0.00 34.50 29.10 2jmr s PRO 46 CO 0.40 -2.66 0.93 1.33 0.05 0.00 0.00 177.00 177.04 2jmr n VAL 47 N 6.94 2.51 -5.10 -0.36 0.24 -1.26 -5.03 118.33 116.28 2jmr n VAL 47 Ca 0.43 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.34 62.07 2jmr n VAL 47 Cb 0.48 -1.05 -0.15 0.00 -1.47 0.00 0.00 33.84 31.64 2jmr n VAL 47 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2jmr s VAL 48 N -1.88 2.16 0.38 3.34 1.01 -1.23 -5.02 120.40 119.16 2jmr s VAL 48 Ca 0.72 -1.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 2jmr s VAL 48 Cb -0.33 -1.79 -0.09 0.00 0.00 0.00 0.00 36.38 34.16 2jmr s VAL 48 CO 0.52 0.48 1.25 -2.16 0.00 0.00 0.00 175.10 175.18 2jmr s PRO 49 N -0.92 4.10 0.25 2.72 0.04 -1.26 -2.80 135.00 137.13 2jmr s PRO 49 Ca 0.11 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 2jmr s PRO 49 Cb -0.10 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 2jmr s PRO 49 CO 0.01 -0.34 0.25 0.12 0.04 0.00 0.00 177.00 177.07 2jmr s PHE 50 N -1.28 1.20 -0.22 0.56 5.36 0.83 -4.86 117.98 119.56 2jmr s PHE 50 Ca 0.55 -1.36 -0.27 0.00 -0.96 0.00 0.00 56.93 54.89 2jmr s PHE 50 Cb -0.35 -0.45 0.11 0.00 -0.34 0.00 0.00 43.02 41.98 2jmr s PHE 50 CO 0.46 -0.79 0.93 -0.98 -1.46 0.00 0.00 175.22 173.37 2jmr s ARG 51 N -3.85 0.65 0.13 10.12 1.70 -1.24 -1.25 118.95 125.21 2jmr s ARG 51 Ca 0.36 0.49 -0.01 0.00 -0.47 0.00 0.00 55.73 56.10 2jmr s ARG 51 Cb 0.04 0.31 -0.10 0.00 -0.57 0.00 0.00 34.95 34.64 2jmr s ARG 51 CO 0.16 -0.14 1.30 0.82 -1.08 0.00 0.00 175.30 176.37 2jmr h ILE 52 N 3.29 1.47 -4.42 4.99 2.04 -1.83 -3.48 117.51 119.57 2jmr h ILE 52 Ca -0.25 -2.68 0.01 0.00 1.00 0.00 0.00 64.86 62.93 2jmr h ILE 52 Cb 1.17 2.56 -0.10 0.00 -0.74 0.00 0.00 36.82 39.70 2jmr h ILE 52 CO 0.19 0.79 -1.17 -0.11 0.00 0.00 0.00 178.15 177.85 2jmr n LEU 53 N -3.65 -5.01 -4.14 1.44 0.00 -1.25 -4.72 117.00 99.68 2jmr n LEU 53 Ca -0.05 1.71 -0.34 0.00 0.00 0.00 0.00 56.01 57.32 2jmr n LEU 53 Cb 0.86 -2.67 -0.14 0.00 0.00 0.00 0.00 43.42 41.48 2jmr n LEU 53 CO 0.50 -2.94 -0.36 -0.76 0.00 0.00 0.00 177.39 173.84 2jmr s LEU 54 N -0.48 4.00 0.16 -1.96 2.01 0.31 -2.72 118.68 120.01 2jmr s LEU 54 Ca -0.21 -1.43 -0.24 0.00 0.01 0.00 0.00 54.13 52.26 2jmr s LEU 54 Cb 0.01 -1.69 0.06 0.00 0.01 0.00 0.00 46.19 44.59 2jmr s LEU 54 CO 0.57 -0.28 0.79 -0.94 1.01 0.00 0.00 176.35 177.49 2jmr s SER 55 N 1.26 -0.34 1.22 2.29 1.04 -1.16 -3.88 113.70 114.14 2jmr s SER 55 Ca -0.04 -0.28 -0.18 0.00 0.48 0.00 0.00 55.95 55.93 2jmr s SER 55 Cb -0.20 0.57 0.27 0.00 0.10 0.00 0.00 66.02 66.76 2jmr s SER 55 CO -0.03 -0.99 0.97 -0.81 0.98 0.00 0.00 173.24 173.36 2jmr n PRO 56 N -0.40 -2.93 -3.83 4.02 -0.04 -1.26 -3.93 135.00 126.62 2jmr n PRO 56 Ca -0.09 -1.56 -0.09 0.00 -0.04 0.00 0.00 63.50 61.73 2jmr n PRO 56 Cb 0.61 -1.46 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 2jmr n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jmr n GLY 58 N -0.37 1.21 0.01 0.00 0.00 -1.23 -3.92 105.19 100.89 2jmr n GLY 58 Ca -0.07 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2jmr n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jmr n ASN 59 N 0.00 0.62 -3.76 1.61 5.03 -1.26 -2.04 115.26 115.45 2jmr n ASN 59 Ca 0.00 -0.81 -0.29 0.00 0.87 0.00 0.00 54.58 54.35 2jmr n ASN 59 Cb 0.00 0.40 -0.12 0.00 -1.02 0.00 0.00 39.78 39.03 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jmr s ALA 60 N -0.42 2.85 -0.10 5.41 0.00 -1.26 -4.86 121.76 123.38 2jmr s ALA 60 Ca 0.00 -3.16 -0.10 0.00 0.00 0.00 0.00 51.96 48.70 2jmr s ALA 60 Cb 0.00 -1.99 0.03 0.00 0.00 0.00 0.00 23.12 21.16 2jmr s ALA 60 CO 0.01 -2.05 0.28 0.54 0.00 0.00 0.00 175.76 174.53 2jmr s VAL 61 N -0.51 0.00 -0.08 0.00 0.11 -1.26 -3.53 120.40 115.13 2jmr s VAL 61 Ca 0.23 -0.02 0.08 0.00 -2.93 0.00 0.00 61.98 59.34 2jmr s VAL 61 Cb -0.12 -0.41 -0.11 0.00 -1.53 0.00 0.00 36.38 34.21 2jmr s VAL 61 CO -0.10 -0.01 0.05 -1.20 -3.33 0.00 0.00 175.10 170.51 2jmr n SER 62 N 2.85 2.85 -2.31 3.54 7.64 -1.26 -4.82 113.62 122.11 2jmr n SER 62 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2jmr n SER 62 Cb 0.58 0.81 0.01 0.00 -1.01 0.00 0.00 64.21 64.60 2jmr n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr n ALA 63 N -2.26 -1.62 -2.57 -0.43 0.00 -1.26 -4.39 120.51 107.98 2jmr n ALA 63 Ca -0.13 -0.45 -0.10 0.00 0.00 0.00 0.00 53.44 52.77 2jmr n ALA 63 Cb 0.71 0.16 -0.08 0.00 0.00 0.00 0.00 19.45 20.25 2jmr n ALA 63 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jmr s VAL 64 N -2.18 0.07 0.25 0.00 1.01 -1.26 -4.42 120.40 113.87 2jmr s VAL 64 Ca 0.14 -1.53 0.12 0.00 0.00 0.00 0.00 61.98 60.71 2jmr s VAL 64 Cb -0.01 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 2jmr s VAL 64 CO 0.01 -0.34 -0.20 -0.54 0.00 0.00 0.00 175.10 174.03 2jmr s LYS 65 N -3.99 1.67 0.04 2.72 -0.14 -0.03 -4.60 119.74 115.41 2jmr s LYS 65 Ca 0.19 -1.66 0.06 0.00 -1.36 0.00 0.00 55.97 53.20 2jmr s LYS 65 Cb 0.04 -1.82 -0.02 0.00 -1.68 0.00 0.00 37.83 34.35 2jmr s LYS 65 CO 0.01 0.36 -0.18 0.08 -0.76 0.00 0.00 175.35 174.85 2jmr s VAL 66 N -2.21 1.47 -0.40 3.17 1.01 -1.26 -0.58 120.40 121.61 2jmr s VAL 66 Ca 0.27 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 61.13 2jmr s VAL 66 Cb -0.06 -1.29 0.15 0.00 0.00 0.00 0.00 36.38 35.17 2jmr s VAL 66 CO 0.14 0.13 0.26 -0.83 0.00 0.00 0.00 175.10 174.79 2jmr s GLY 67 N -1.17 1.17 -0.25 4.51 0.00 -0.35 -4.68 107.32 106.55 2jmr s GLY 67 Ca 0.05 -2.22 -0.29 0.00 0.00 0.00 0.00 44.72 42.26 2jmr s GLY 67 CO 0.02 1.96 1.14 -1.36 0.00 0.00 0.00 173.10 174.86 2jmr s PHE 68 N 0.59 3.07 -0.06 1.90 0.40 -1.26 -0.88 117.98 121.74 2jmr s PHE 68 Ca 0.22 1.19 -0.02 0.00 -0.60 0.00 0.00 56.93 57.72 2jmr s PHE 68 Cb -0.16 -3.54 0.04 0.00 0.51 0.00 0.00 43.02 39.88 2jmr s PHE 68 CO -0.05 -1.04 0.12 0.95 0.70 0.00 0.00 175.22 175.89 2jmr s THR 69 N 3.57 -0.14 0.00 0.64 -4.23 -0.34 -1.34 115.64 113.80 2jmr s THR 69 Ca 0.49 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 2jmr s THR 69 Cb -0.16 -0.22 0.00 0.00 1.34 0.00 0.00 72.50 73.46 2jmr s THR 69 CO 0.13 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 2jmr n GLY 70 N 4.78 2.68 3.65 3.99 0.00 -1.26 -0.31 105.19 118.72 2jmr n GLY 70 Ca -0.15 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 2jmr n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmr s VAL 71 N -2.35 3.27 0.50 1.61 0.11 -1.26 -4.88 120.40 117.39 2jmr s VAL 71 Ca 0.00 0.32 -0.18 0.00 -2.93 0.00 0.00 61.98 59.19 2jmr s VAL 71 Cb 0.00 -3.22 -0.08 0.00 -1.53 0.00 0.00 36.38 31.54 2jmr s VAL 71 CO 0.00 -0.05 0.99 0.00 -3.33 0.00 0.00 175.10 172.71 2jmr s ALA 72 N 4.71 3.01 0.56 1.54 0.00 -1.26 -2.72 121.76 127.59 2jmr s ALA 72 Ca 0.83 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 53.00 2jmr s ALA 72 Cb -0.37 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 2jmr s ALA 72 CO 0.36 -0.20 0.93 0.34 0.00 0.00 0.00 175.76 177.19 2jmr s ASP 73 N -2.69 6.26 0.08 0.00 2.15 -1.26 -4.80 116.67 116.39 2jmr s ASP 73 Ca 0.61 1.24 -0.23 0.00 0.43 0.00 0.00 52.55 54.60 2jmr s ASP 73 Cb -0.11 -2.39 -0.14 0.00 -0.30 0.00 0.00 42.92 39.98 2jmr s ASP 73 CO 0.26 -0.75 1.65 -1.28 -0.17 0.00 0.00 175.17 174.88 2jmr h SER 74 N -0.06 0.07 0.00 -0.34 0.87 -1.97 -3.34 113.55 108.78 2jmr h SER 74 Ca -0.45 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2jmr h SER 74 Cb 1.20 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2jmr h SER 74 CO 0.62 0.15 -0.26 0.45 -0.53 0.00 0.00 176.83 177.26 2jmr h HIS 75 N -0.02 0.00 -3.26 2.24 3.86 -1.95 -3.43 115.15 112.59 2jmr h HIS 75 Ca 0.02 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.60 2jmr h HIS 75 Cb 0.10 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.17 2jmr h HIS 75 CO -0.04 0.00 -0.70 -0.80 0.86 0.00 0.00 177.93 177.25 2jmr s ASN 76 N -4.73 4.10 0.11 2.45 0.02 -1.26 -4.96 114.94 110.67 2jmr s ASN 76 Ca -0.07 -2.57 0.07 0.00 -1.02 0.00 0.00 52.86 49.26 2jmr s ASN 76 Cb 0.01 -1.32 0.39 0.00 0.02 0.00 0.00 41.25 40.35 2jmr s ASN 76 CO 0.11 -0.29 1.19 0.00 0.02 0.00 0.00 177.10 178.14 2jmr n ALA 77 N 3.65 0.95 0.78 0.60 0.00 -1.25 -1.93 120.51 123.31 2jmr n ALA 77 Ca 0.05 0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.60 2jmr n ALA 77 Cb 0.36 -1.04 0.24 0.00 0.00 0.00 0.00 19.45 19.01 2jmr n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jmr n ASN 78 N -1.74 0.00 -2.95 0.00 3.02 -1.26 -3.79 115.26 108.54 2jmr n ASN 78 Ca -0.00 -0.53 -0.09 0.00 -0.03 0.00 0.00 54.58 53.93 2jmr n ASN 78 Cb 0.05 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.22 2jmr n ASN 78 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2jmr n LEU 79 N -0.83 0.00 -4.20 3.41 7.99 -0.81 -3.70 117.00 118.86 2jmr n LEU 79 Ca 0.06 -0.99 -0.33 0.00 -0.01 0.00 0.00 56.01 54.75 2jmr n LEU 79 Cb 0.03 0.01 -0.16 0.00 -0.11 0.00 0.00 43.42 43.18 2jmr n LEU 79 CO 0.05 -0.34 -0.53 -0.22 -1.51 0.00 0.00 177.39 174.84 2jmr s LEU 80 N 0.00 2.21 0.77 2.23 0.20 -0.64 -4.18 118.68 119.28 2jmr s LEU 80 Ca 0.09 -0.56 -0.09 0.00 0.69 0.00 0.00 54.13 54.26 2jmr s LEU 80 Cb -0.01 -1.47 0.09 0.00 -0.43 0.00 0.00 46.19 44.37 2jmr s LEU 80 CO 0.06 0.09 1.11 0.00 -0.29 0.00 0.00 176.35 177.32 2jmr s ALA 81 N 0.74 2.91 0.51 5.97 0.00 -1.10 -0.75 121.76 130.03 2jmr s ALA 81 Ca -0.08 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2jmr s ALA 81 Cb -0.16 -2.70 0.08 0.00 0.00 0.00 0.00 23.12 20.34 2jmr s ALA 81 CO 0.00 -1.59 0.58 1.28 0.00 0.00 0.00 175.76 176.03 2jmr n LEU 82 N -3.16 0.00 0.05 0.00 4.32 -1.26 -4.31 117.00 112.65 2jmr n LEU 82 Ca 0.09 -1.43 0.02 0.00 -0.02 0.00 0.00 56.01 54.68 2jmr n LEU 82 Cb 0.60 -0.35 0.12 0.00 -1.62 0.00 0.00 43.42 42.17 2jmr n LEU 82 CO 0.52 -0.74 0.60 -1.84 -1.22 0.00 0.00 177.39 174.71 2jmr n GLU 83 N -2.01 0.03 -0.71 3.23 0.28 0.01 -4.84 120.64 116.63 2jmr n GLU 83 Ca 0.10 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 2jmr n GLU 83 Cb 0.37 -1.83 0.00 0.00 1.43 0.00 0.00 31.44 31.41 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 -1.55 -0.37 -4.88 -1.84 2.85 -1.26 -4.98 115.26 103.23 2jmr n ASN 84 Ca -0.00 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.17 2jmr n ASN 84 Cb 0.24 -1.61 0.05 0.00 1.24 0.00 0.00 39.78 39.71 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 -2.09 3.28 0.21 -0.44 -1.32 -1.26 -4.96 115.64 109.06 2jmr s THR 85 Ca 0.00 0.42 -0.10 0.00 -1.21 0.00 0.00 61.69 60.80 2jmr s THR 85 Cb 0.00 -3.40 0.16 0.00 -1.51 0.00 0.00 72.50 67.75 2jmr s THR 85 CO 0.00 -0.54 1.87 -0.37 -2.21 0.00 0.00 174.62 173.37 2jmr h VAL 86 N -0.72 1.16 0.00 5.08 -1.51 -2.01 -2.16 116.25 116.09 2jmr h VAL 86 Ca -0.45 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 2jmr h VAL 86 Cb 1.26 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 2jmr h VAL 86 CO 0.64 0.18 0.00 -0.24 -1.23 0.00 0.00 177.57 176.92 2jmr n SER 87 N -4.58 0.00 -4.80 4.19 2.88 -1.26 -4.79 113.62 105.26 2jmr n SER 87 Ca 0.08 -0.51 -0.31 0.00 -1.33 0.00 0.00 58.87 56.79 2jmr n SER 87 Cb 0.05 -0.10 0.06 0.00 -0.75 0.00 0.00 64.21 63.47 2jmr n SER 87 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jmr s ALA 88 N -2.20 2.54 -0.24 -1.46 0.00 -0.81 -1.33 121.76 118.26 2jmr s ALA 88 Ca 0.32 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.15 2jmr s ALA 88 Cb 0.16 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 20.00 2jmr s ALA 88 CO 0.31 -1.38 2.19 0.00 0.00 0.00 0.00 175.76 176.88 2jmr n ALA 89 N -3.17 1.56 -1.77 0.00 0.00 -0.36 -4.12 120.51 112.65 2jmr n ALA 89 Ca 0.08 -0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 2jmr n ALA 89 Cb 0.53 -2.80 -0.01 0.00 0.00 0.00 0.00 19.45 17.17 2jmr n ALA 89 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jmr s SER 90 N 7.71 6.26 -0.51 0.00 0.01 -1.24 -4.02 113.70 121.91 2jmr s SER 90 Ca 1.02 1.67 -0.03 0.00 1.31 0.00 0.00 55.95 59.92 2jmr s SER 90 Cb -0.49 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.25 2jmr s SER 90 CO 0.40 -0.84 0.10 0.61 0.41 0.00 0.00 173.24 173.92 2jmr n GLY 91 N -1.36 -0.49 2.75 3.44 0.00 -1.26 -4.63 105.19 103.64 2jmr n GLY 91 Ca 0.07 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.47 3.56 0.47 0.99 1.43 -1.26 -0.59 118.68 117.81 2jmr s LEU 92 Ca 0.12 -3.32 -0.23 0.00 -1.03 0.00 0.00 54.13 49.67 2jmr s LEU 92 Cb -0.07 -1.25 -0.07 0.00 0.03 0.00 0.00 46.19 44.84 2jmr s LEU 92 CO 0.14 -0.16 1.17 -0.83 0.23 0.00 0.00 176.35 176.91 2jmr s GLY 93 N -0.60 2.77 0.26 -3.19 0.00 -1.02 -4.73 107.32 100.81 2jmr s GLY 93 Ca 0.24 0.95 -0.29 0.00 0.00 0.00 0.00 44.72 45.62 2jmr s GLY 93 CO -0.12 1.40 1.17 -0.42 0.00 0.00 0.00 173.10 175.14 2jmr s ILE 94 N -1.55 3.37 -0.17 0.90 -1.09 0.07 -0.39 121.20 122.35 2jmr s ILE 94 Ca 0.65 1.30 0.01 0.00 -2.23 0.00 0.00 60.65 60.38 2jmr s ILE 94 Cb -0.29 -3.83 0.03 0.00 -1.58 0.00 0.00 42.46 36.79 2jmr s ILE 94 CO 0.35 0.28 -0.13 -1.58 -1.23 0.00 0.00 174.94 172.63 2jmr s GLN 95 N -1.12 2.23 -0.65 2.79 0.74 -0.53 -1.62 119.66 121.51 2jmr s GLN 95 Ca 0.48 -0.69 0.05 0.00 0.05 0.00 0.00 55.36 55.25 2jmr s GLN 95 Cb -0.34 -2.26 0.21 0.00 1.10 0.00 0.00 33.01 31.72 2jmr s GLN 95 CO 0.42 -0.31 0.60 1.28 -0.55 0.00 0.00 175.29 176.72 2jmr n LEU 96 N 4.73 3.07 -4.82 3.68 7.99 -1.26 -0.90 117.00 129.49 2jmr n LEU 96 Ca -0.16 -5.25 -0.33 0.00 -0.01 0.00 0.00 56.01 50.26 2jmr n LEU 96 Cb 0.49 -0.61 -0.05 0.00 -0.11 0.00 0.00 43.42 43.14 2jmr n LEU 96 CO 0.21 1.90 0.67 -0.76 -1.51 0.00 0.00 177.39 177.90 2jmr s LEU 97 N -1.82 3.82 0.99 2.23 1.02 0.44 -4.35 118.68 121.01 2jmr s LEU 97 Ca 0.32 1.68 -0.17 0.00 0.02 0.00 0.00 54.13 55.99 2jmr s LEU 97 Cb 0.05 -4.53 0.22 0.00 0.02 0.00 0.00 46.19 41.95 2jmr s LEU 97 CO -0.10 -0.50 1.34 0.54 0.02 0.00 0.00 176.35 177.65 2jmr s ASN 98 N -2.44 2.89 0.43 2.29 6.03 -1.25 -0.25 114.94 122.62 2jmr s ASN 98 Ca 0.62 0.20 0.22 0.00 -1.03 0.00 0.00 52.86 52.87 2jmr s ASN 98 Cb -0.10 -0.18 1.20 0.00 -3.03 0.00 0.00 41.25 39.14 2jmr s ASN 98 CO 0.20 -2.87 1.77 1.05 -2.03 0.00 0.00 177.10 175.22 2jmr h GLU 99 N -1.74 0.30 0.00 3.55 4.11 -1.70 0.44 114.58 119.53 2jmr h GLU 99 Ca -0.44 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2jmr h GLU 99 Cb 1.22 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2jmr h GLU 99 CO 0.34 0.20 0.00 1.04 0.07 0.00 0.00 179.01 180.66 2jmr n GLN 100 N -4.56 0.59 -3.85 1.06 6.02 -1.26 -4.85 117.38 110.54 2jmr n GLN 100 Ca 0.26 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.96 2jmr n GLN 100 Cb 0.97 -1.30 0.04 0.00 1.02 0.00 0.00 30.24 30.97 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 -0.80 -5.91 -4.73 -1.09 6.02 0.14 -4.96 117.38 106.05 2jmr n GLN 101 Ca 0.08 0.64 -0.33 0.00 -0.01 0.00 0.00 57.00 57.38 2jmr n GLN 101 Cb 0.04 -5.54 -0.13 0.00 1.02 0.00 0.00 30.24 25.63 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 -3.39 4.25 -0.30 1.08 3.84 -1.26 -5.00 114.94 114.16 2jmr s ASN 102 Ca 0.60 -0.20 -0.28 0.00 0.21 0.00 0.00 52.86 53.20 2jmr s ASN 102 Cb -0.30 -1.31 -0.04 0.00 -0.55 0.00 0.00 41.25 39.05 2jmr s ASN 102 CO 0.81 0.26 2.09 -1.58 -2.79 0.00 0.00 177.10 175.89 2jmr s GLN 103 N -0.21 3.06 -0.42 0.43 0.74 -1.26 -3.97 119.66 118.04 2jmr s GLN 103 Ca 0.01 1.70 -0.28 0.00 0.05 0.00 0.00 55.36 56.84 2jmr s GLN 103 Cb -0.13 -4.34 0.02 0.00 1.10 0.00 0.00 33.01 29.66 2jmr s GLN 103 CO 0.03 -2.18 1.08 0.42 -0.55 0.00 0.00 175.29 174.08 2jmr s ILE 104 N 8.31 4.36 0.66 -2.34 1.01 -1.26 -4.96 121.20 126.98 2jmr s ILE 104 Ca 0.92 1.33 -0.15 0.00 0.00 0.00 0.00 60.65 62.76 2jmr s ILE 104 Cb -0.27 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.70 2jmr s ILE 104 CO 0.33 -0.78 1.10 -2.16 0.00 0.00 0.00 174.94 173.43 2jmr s PRO 105 N 4.04 2.80 0.50 2.79 0.04 -1.24 -4.57 135.00 139.36 2jmr s PRO 105 Ca 0.45 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 2jmr s PRO 105 Cb -0.09 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 2jmr s PRO 105 CO 0.25 -1.24 0.88 -0.51 0.04 0.00 0.00 177.00 176.42 2jmr s LEU 106 N -4.93 3.59 -1.23 -3.56 1.02 -1.25 -4.40 118.68 107.93 2jmr s LEU 106 Ca 0.66 1.25 -0.10 0.00 0.02 0.00 0.00 54.13 55.96 2jmr s LEU 106 Cb -0.20 -4.20 0.08 0.00 0.02 0.00 0.00 46.19 41.89 2jmr s LEU 106 CO 0.42 -0.59 0.45 0.59 0.02 0.00 0.00 176.35 177.24 2jmr n ASN 107 N -1.93 -3.37 -4.65 2.29 4.13 -0.45 -4.87 115.26 106.41 2jmr n ASN 107 Ca 0.04 -0.38 -0.25 0.00 1.68 0.00 0.00 54.58 55.67 2jmr n ASN 107 Cb 0.54 -2.81 -0.08 0.00 -1.54 0.00 0.00 39.78 35.89 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 -2.88 3.26 0.49 5.41 0.00 -1.26 -5.12 121.76 121.67 2jmr s ALA 108 Ca 0.39 -2.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.27 2jmr s ALA 108 Cb -0.21 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2jmr s ALA 108 CO 0.48 0.02 0.82 -1.25 0.00 0.00 0.00 175.76 175.83 2jmr s PRO 109 N -3.75 3.59 0.00 0.00 0.04 -1.26 -4.90 135.00 128.72 2jmr s PRO 109 Ca 0.36 0.34 0.21 0.00 0.04 0.00 0.00 61.00 61.95 2jmr s PRO 109 Cb 0.01 -2.33 0.97 0.00 0.04 0.00 0.00 34.50 33.19 2jmr s PRO 109 CO 0.20 -0.24 1.67 0.43 0.04 0.00 0.00 177.00 179.10 2jmr n SER 110 N -2.18 0.00 0.01 6.66 7.64 -1.26 -1.99 113.62 122.50 2jmr n SER 110 Ca 0.02 0.27 0.21 0.00 1.01 0.00 0.00 58.87 60.38 2jmr n SER 110 Cb 0.55 -0.40 0.72 0.00 -1.01 0.00 0.00 64.21 64.06 2jmr n SER 110 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jmr h SER 111 N 0.00 0.00 0.08 6.43 0.02 -1.98 -1.51 113.55 116.59 2jmr h SER 111 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jmr h SER 111 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2jmr h SER 111 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2jmr n ALA 112 N -2.57 2.59 -3.00 3.77 0.00 -0.84 -4.92 120.51 115.54 2jmr n ALA 112 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2jmr n ALA 112 Cb 0.63 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2jmr n ALA 112 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jmr n LEU 113 N -1.04 0.00 -4.29 0.00 4.77 -0.57 -4.68 117.00 111.18 2jmr n LEU 113 Ca 0.21 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 56.01 2jmr n LEU 113 Cb 0.12 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.13 2jmr n LEU 113 CO 0.18 0.00 -0.15 -0.94 -1.33 0.00 0.00 177.39 175.14 2jmr s SER 114 N -0.55 1.46 0.30 -1.43 1.04 -1.26 -5.03 113.70 108.22 2jmr s SER 114 Ca 0.00 -1.65 -0.10 0.00 0.48 0.00 0.00 55.95 54.67 2jmr s SER 114 Cb 0.00 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.62 2jmr s SER 114 CO 0.00 -0.99 0.52 0.86 0.98 0.00 0.00 173.24 174.62 2jmr s TRP 115 N -3.59 0.53 0.39 5.02 -0.11 -1.26 -4.79 118.94 115.14 2jmr s TRP 115 Ca 0.38 -0.90 0.08 0.00 1.22 0.00 0.00 56.10 56.88 2jmr s TRP 115 Cb 0.04 0.20 -0.04 0.00 -1.50 0.00 0.00 33.47 32.17 2jmr s TRP 115 CO 0.22 -1.12 0.26 -0.08 -4.62 0.00 0.00 176.95 171.61 2jmr s THR 116 N -3.49 2.70 -0.65 5.86 -1.32 -1.26 -4.99 115.64 112.49 2jmr s THR 116 Ca 0.24 -1.53 -0.26 0.00 -1.21 0.00 0.00 61.69 58.92 2jmr s THR 116 Cb -0.01 -3.01 -0.04 0.00 -1.51 0.00 0.00 72.50 67.93 2jmr s THR 116 CO 0.13 -0.05 2.01 -0.89 -2.21 0.00 0.00 174.62 173.60 2jmr s THR 117 N -2.49 3.28 -0.48 5.08 2.01 -1.26 -4.55 115.64 117.24 2jmr s THR 117 Ca 0.43 0.06 -0.26 0.00 0.31 0.00 0.00 61.69 62.23 2jmr s THR 117 Cb -0.01 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 2jmr s THR 117 CO 0.25 -0.70 2.41 0.18 -0.69 0.00 0.00 174.62 176.07 2jmr n LEU 118 N 13.89 2.37 -4.64 4.42 4.77 -1.26 -4.95 117.00 131.59 2jmr n LEU 118 Ca 0.28 -0.46 -0.41 0.00 -0.03 0.00 0.00 56.01 55.40 2jmr n LEU 118 Cb 0.51 -1.58 0.02 0.00 -2.33 0.00 0.00 43.42 40.04 2jmr n LEU 118 CO 0.68 -1.51 0.67 1.07 -1.33 0.00 0.00 177.39 176.97 2jmr n THR 119 N 7.99 2.71 -2.19 -5.08 5.66 -1.26 -4.78 114.28 117.32 2jmr n THR 119 Ca 0.37 -0.50 -0.42 0.00 -3.05 0.00 0.00 64.05 60.45 2jmr n THR 119 Cb 0.54 -1.28 -0.03 0.00 -1.55 0.00 0.00 70.33 68.00 2jmr n THR 119 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2jmr s PRO 120 N -2.21 4.36 -1.58 1.09 0.04 -1.26 -3.85 135.00 131.59 2jmr s PRO 120 Ca 0.65 2.07 -0.11 0.00 0.04 0.00 0.00 61.00 63.65 2jmr s PRO 120 Cb -0.52 -3.22 0.09 0.00 0.04 0.00 0.00 34.50 30.90 2jmr s PRO 120 CO 0.55 -0.34 0.64 0.41 0.04 0.00 0.00 177.00 178.31 2jmr n GLY 121 N 2.83 -0.35 3.58 0.56 0.00 -0.87 -4.96 105.19 105.99 2jmr n GLY 121 Ca 0.08 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.78 1.95 0.35 1.61 3.01 -1.25 -4.71 119.74 113.92 2jmr s LYS 122 Ca 0.43 -2.17 0.27 0.00 -1.01 0.00 0.00 55.97 53.49 2jmr s LYS 122 Cb -0.23 -1.05 1.16 0.00 -1.01 0.00 0.00 37.83 36.69 2jmr s LYS 122 CO 0.91 -0.33 1.80 -1.00 0.51 0.00 0.00 175.35 177.24 2jmr h PRO 123 N 1.74 0.00 -6.50 -1.68 0.13 -1.93 -3.39 132.00 120.36 2jmr h PRO 123 Ca -0.40 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.23 2jmr h PRO 123 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2jmr h PRO 123 CO 0.68 0.00 -0.93 0.09 -0.23 0.00 0.00 178.00 177.61 2jmr n ASN 124 N -2.48 -2.40 -4.56 1.44 3.02 -1.25 -0.53 115.26 108.50 2jmr n ASN 124 Ca 0.01 -1.07 -0.28 0.00 -0.03 0.00 0.00 54.58 53.21 2jmr n ASN 124 Cb 0.22 -2.89 -0.05 0.00 -0.61 0.00 0.00 39.78 36.45 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 -3.77 3.20 0.01 3.41 2.01 -1.26 -3.77 115.64 115.47 2jmr s THR 125 Ca 0.22 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 2jmr s THR 125 Cb -0.09 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 2jmr s THR 125 CO 0.90 -0.46 1.03 -0.76 -0.69 0.00 0.00 174.62 174.63 2jmr s LEU 126 N 11.67 4.36 -1.09 4.42 2.01 -1.26 -4.98 118.68 133.81 2jmr s LEU 126 Ca 0.82 1.73 -0.21 0.00 0.01 0.00 0.00 54.13 56.48 2jmr s LEU 126 Cb -0.12 -3.57 0.07 0.00 0.01 0.00 0.00 46.19 42.58 2jmr s LEU 126 CO 0.13 -0.32 1.48 0.20 1.01 0.00 0.00 176.35 178.86 2jmr s ASN 127 N 1.03 6.62 0.51 2.29 0.01 -1.26 -3.73 114.94 120.42 2jmr s ASN 127 Ca 0.53 -1.82 0.06 0.00 -0.71 0.00 0.00 52.86 50.93 2jmr s ASN 127 Cb -0.23 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 38.93 2jmr s ASN 127 CO 0.28 -1.35 0.70 -0.36 -1.51 0.00 0.00 177.10 174.86 2jmr s PHE 128 N 4.40 2.35 -0.21 2.20 0.40 -0.38 -1.79 117.98 124.96 2jmr s PHE 128 Ca 0.46 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 56.35 2jmr s PHE 128 Cb 0.00 -2.46 0.07 0.00 0.51 0.00 0.00 43.02 41.15 2jmr s PHE 128 CO -0.05 -0.81 0.10 0.71 0.70 0.00 0.00 175.22 175.88 2jmr s TYR 129 N -2.58 0.25 -0.13 0.36 2.02 0.65 -0.12 117.35 117.80 2jmr s TYR 129 Ca 0.58 -0.52 -0.13 0.00 -0.37 0.00 0.00 57.07 56.64 2jmr s TYR 129 Cb -0.09 -0.77 -0.05 0.00 -0.40 0.00 0.00 41.96 40.66 2jmr s TYR 129 CO 0.37 -0.62 0.27 0.00 -1.57 0.00 0.00 175.55 173.99 2jmr s ALA 130 N 2.12 3.66 0.00 3.71 0.00 -1.12 -0.42 121.76 129.70 2jmr s ALA 130 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2jmr s ALA 130 Cb -0.16 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2jmr s ALA 130 CO -0.19 0.23 0.00 -2.13 0.00 0.00 0.00 175.76 173.68 2jmr n ARG 131 N 3.07 0.00 -4.52 0.00 3.00 -0.07 -3.52 116.66 114.62 2jmr n ARG 131 Ca -0.14 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.46 2jmr n ARG 131 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.88 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 2.68 0.23 6.15 2.96 -1.26 -1.46 118.68 127.98 2jmr s LEU 132 Ca 0.00 -1.14 0.01 0.00 -0.22 0.00 0.00 54.13 52.78 2jmr s LEU 132 Cb 0.00 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 2jmr s LEU 132 CO 0.00 -0.12 0.16 -0.04 -1.32 0.00 0.00 176.35 175.03 2jmr s MET 133 N -3.58 1.33 -0.16 1.98 -1.94 0.47 -3.90 119.30 113.51 2jmr s MET 133 Ca 0.32 -1.72 -0.03 0.00 -1.71 0.00 0.00 55.69 52.54 2jmr s MET 133 Cb -0.00 0.25 -0.02 0.00 2.01 0.00 0.00 34.83 37.06 2jmr s MET 133 CO 0.16 -0.44 -0.05 0.00 -0.01 0.00 0.00 175.02 174.68 2jmr s ALA 134 N -3.99 2.95 -0.81 3.03 0.00 -1.10 -2.42 121.76 119.42 2jmr s ALA 134 Ca 0.39 -0.85 0.23 0.00 0.00 0.00 0.00 51.96 51.72 2jmr s ALA 134 Cb 0.06 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.66 2jmr s ALA 134 CO 0.15 0.17 1.02 0.25 0.00 0.00 0.00 175.76 177.35 2jmr n THR 135 N 3.63 0.06 -3.78 0.00 -2.24 0.24 -4.35 114.28 107.84 2jmr n THR 135 Ca -0.17 -0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.48 2jmr n THR 135 Cb 0.52 0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.71 0.03 -2.65 -0.78 1.13 -0.67 -4.89 117.38 107.85 2jmr n GLN 136 Ca 0.03 -0.18 -0.28 0.00 -1.94 0.00 0.00 57.00 54.63 2jmr n GLN 136 Cb 0.38 0.16 -0.01 0.00 0.11 0.00 0.00 30.24 30.88 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 -0.04 2.92 0.43 5.09 0.31 -1.26 -4.22 118.33 121.56 2jmr n VAL 137 Ca 0.00 -5.22 0.12 0.00 -0.01 0.00 0.00 64.34 59.23 2jmr n VAL 137 Cb 0.04 -1.34 0.17 0.00 -0.91 0.00 0.00 33.84 31.79 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 2.85 0.00 -6.79 5.55 0.13 -1.87 -3.48 132.00 128.38 2jmr h PRO 138 Ca 0.26 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.06 2jmr h PRO 138 Cb 0.67 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.75 2jmr h PRO 138 CO 0.89 0.00 -0.53 1.33 -0.23 0.00 0.00 178.00 179.46 2jmr n VAL 139 N -2.39 -1.06 -3.65 1.56 0.24 -1.26 -4.90 118.33 106.86 2jmr n VAL 139 Ca 0.03 -0.30 -0.39 0.00 -2.04 0.00 0.00 64.34 61.64 2jmr n VAL 139 Cb 0.48 -0.93 -0.11 0.00 -1.47 0.00 0.00 33.84 31.81 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 -4.04 4.06 -0.33 3.34 2.01 -1.26 -5.05 115.64 114.36 2jmr s THR 140 Ca 0.17 -1.41 -0.33 0.00 0.31 0.00 0.00 61.69 60.43 2jmr s THR 140 Cb -0.09 -3.48 -0.10 0.00 0.01 0.00 0.00 72.50 68.85 2jmr s THR 140 CO 0.52 -0.46 2.23 0.00 -0.69 0.00 0.00 174.62 176.22 2jmr n ALA 141 N 4.87 1.25 -2.68 7.40 0.00 -1.26 -3.60 120.51 126.48 2jmr n ALA 141 Ca -0.10 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 2jmr n ALA 141 Cb 0.43 -2.69 -0.08 0.00 0.00 0.00 0.00 19.45 17.12 2jmr n ALA 141 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jmr s GLY 142 N 7.95 0.84 0.77 0.00 0.00 -1.26 -4.87 107.32 110.75 2jmr s GLY 142 Ca 1.07 -1.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.50 2jmr s GLY 142 CO 0.44 -0.97 1.08 -2.38 0.00 0.00 0.00 173.10 171.26 2jmr s HIS 143 N -4.05 2.80 -0.20 1.90 0.00 -0.45 -1.52 115.29 113.77 2jmr s HIS 143 Ca 0.27 1.37 -0.12 0.00 -3.00 0.00 0.00 55.06 53.58 2jmr s HIS 143 Cb 0.03 -3.02 -0.05 0.00 -4.00 0.00 0.00 32.58 25.54 2jmr s HIS 143 CO 0.07 -1.67 0.20 0.42 -1.00 0.00 0.00 174.74 172.76 2jmr s ILE 144 N -3.02 5.35 -0.22 -5.38 -1.09 0.13 -1.23 121.20 115.75 2jmr s ILE 144 Ca 0.60 0.33 -0.07 0.00 -2.23 0.00 0.00 60.65 59.29 2jmr s ILE 144 Cb -0.15 -3.54 0.10 0.00 -1.58 0.00 0.00 42.46 37.28 2jmr s ILE 144 CO 0.55 0.39 0.44 0.20 -1.23 0.00 0.00 174.94 175.30 2jmr s ASN 145 N 0.58 -0.32 0.16 3.58 0.01 -1.21 -2.26 114.94 115.48 2jmr s ASN 145 Ca 0.11 0.97 -0.08 0.00 -0.71 0.00 0.00 52.86 53.16 2jmr s ASN 145 Cb -0.12 1.44 -0.01 0.00 0.41 0.00 0.00 41.25 42.97 2jmr s ASN 145 CO 0.02 -0.24 0.24 0.00 -1.51 0.00 0.00 177.10 175.61 2jmr s ALA 146 N 2.64 0.15 -0.14 0.60 0.00 -1.13 -0.81 121.76 123.07 2jmr s ALA 146 Ca -0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.90 2jmr s ALA 146 Cb -0.12 0.86 0.05 0.00 0.00 0.00 0.00 23.12 23.91 2jmr s ALA 146 CO -0.14 -0.62 0.34 -0.08 0.00 0.00 0.00 175.76 175.27 2jmr s THR 147 N -3.98 -0.03 0.21 0.00 -1.32 -1.26 -2.94 115.64 106.31 2jmr s THR 147 Ca 0.18 0.12 -0.06 0.00 -1.21 0.00 0.00 61.69 60.72 2jmr s THR 147 Cb 0.04 -0.51 0.02 0.00 -1.51 0.00 0.00 72.50 70.54 2jmr s THR 147 CO 0.00 0.05 0.38 0.00 -2.21 0.00 0.00 174.62 172.84 2jmr n ALA 148 N 4.24 -0.74 -3.71 11.08 0.00 -1.11 -4.30 120.51 125.97 2jmr n ALA 148 Ca -0.24 -0.73 -0.21 0.00 0.00 0.00 0.00 53.44 52.26 2jmr n ALA 148 Cb 0.54 0.59 -0.18 0.00 0.00 0.00 0.00 19.45 20.40 2jmr n ALA 148 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jmr s THR 149 N -2.55 0.05 -1.09 0.00 -4.23 0.58 -1.06 115.64 107.33 2jmr s THR 149 Ca 0.10 0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 60.80 2jmr s THR 149 Cb -0.02 -0.27 0.22 0.00 1.34 0.00 0.00 72.50 73.77 2jmr s THR 149 CO 0.08 0.20 1.19 0.72 -0.54 0.00 0.00 174.62 176.27 2jmr s PHE 150 N 2.02 3.81 0.72 3.99 -0.71 -1.25 -1.20 117.98 125.36 2jmr s PHE 150 Ca 0.04 -2.27 -0.11 0.00 -1.04 0.00 0.00 56.93 53.54 2jmr s PHE 150 Cb -0.12 -4.06 0.02 0.00 -1.21 0.00 0.00 43.02 37.65 2jmr s PHE 150 CO -0.04 -1.18 1.10 0.95 -1.34 0.00 0.00 175.22 174.72 2jmr s THR 151 N 0.36 3.39 0.12 -4.49 -4.23 -0.05 -4.91 115.64 105.83 2jmr s THR 151 Ca 0.34 0.45 0.09 0.00 -1.18 0.00 0.00 61.69 61.39 2jmr s THR 151 Cb -0.07 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 2jmr s THR 151 CO -0.05 -0.59 -0.22 -0.76 -0.54 0.00 0.00 174.62 172.46 2jmr s LEU 152 N -5.42 2.33 -0.38 4.79 2.01 -1.26 -1.21 118.68 119.53 2jmr s LEU 152 Ca 0.59 -0.73 0.01 0.00 0.01 0.00 0.00 54.13 54.00 2jmr s LEU 152 Cb -0.11 -0.97 0.12 0.00 0.01 0.00 0.00 46.19 45.24 2jmr s LEU 152 CO 0.52 0.08 0.18 -0.70 1.01 0.00 0.00 176.35 177.44 2jmr s GLU 153 N -2.09 1.02 0.63 1.70 2.12 0.26 -4.74 118.70 117.60 2jmr s GLU 153 Ca 0.10 -1.60 -0.17 0.00 0.36 0.00 0.00 54.97 53.66 2jmr s GLU 153 Cb -0.09 -2.14 -0.01 0.00 0.26 0.00 0.00 34.13 32.14 2jmr s GLU 153 CO 0.05 -1.10 1.14 0.71 -0.54 0.00 0.00 175.26 175.53 2jmr s TYR 154 N 0.89 2.52 0.13 5.30 2.02 -1.26 -0.85 117.35 126.10 2jmr s TYR 154 Ca 0.15 1.55 -0.26 0.00 -0.37 0.00 0.00 57.07 58.14 2jmr s TYR 154 Cb -0.22 -3.28 -0.06 0.00 -0.40 0.00 0.00 41.96 38.00 2jmr s TYR 154 CO -0.09 -1.87 1.36 1.04 -1.57 0.00 0.00 175.55 174.42 2jmr n GLN 155 N -2.09 -0.36 -3.73 -0.62 1.13 -1.26 -4.23 117.38 106.21 2jmr n GLN 155 Ca 0.12 1.33 -0.12 0.00 -1.94 0.00 0.00 57.00 56.39 2jmr n GLN 155 Cb 0.51 -1.96 -0.12 0.00 0.11 0.00 0.00 30.24 28.77 2jmr n GLN 155 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2jmr s ASP 156 N -5.24 -0.31 0.03 1.08 -1.08 -1.26 -5.08 116.67 104.81 2jmr s ASP 156 Ca -0.10 0.59 0.00 0.00 -0.52 0.00 0.00 52.55 52.53 2jmr s ASP 156 Cb 0.09 0.50 0.00 0.00 -1.46 0.00 0.00 42.92 42.06 2jmr s ASP 156 CO 0.51 -0.16 0.00 -3.20 0.52 0.00 0.00 175.17 172.85 2jmr n ASN 157 N 3.96 0.33 -3.66 -0.34 2.85 -1.26 -4.81 115.26 112.33 2jmr n ASN 157 Ca -0.22 0.05 -0.09 0.00 -0.11 0.00 0.00 54.58 54.20 2jmr n ASN 157 Cb 0.54 -0.10 -0.02 0.00 1.24 0.00 0.00 39.78 41.45 2jmr n ASN 157 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 2jmr s HIS 158 N -2.00 -0.35 0.62 1.20 5.04 -1.26 -5.08 115.29 113.46 2jmr s HIS 158 Ca 0.00 0.00 0.26 0.00 -1.54 0.00 0.00 55.06 53.78 2jmr s HIS 158 Cb 0.00 0.64 1.28 0.00 0.04 0.00 0.00 32.58 34.54 2jmr s HIS 158 CO 0.00 -1.06 1.71 1.25 -2.34 0.00 0.00 174.74 174.30 2jmr h HIS 159 N 2.00 0.00 -1.77 3.88 2.76 -2.04 -3.35 115.15 116.62 2jmr h HIS 159 Ca -0.26 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 57.96 2jmr h HIS 159 Cb 1.28 0.00 -0.24 0.00 1.55 0.00 0.00 27.41 30.00 2jmr h HIS 159 CO 0.34 0.00 0.24 -1.58 -1.30 0.00 0.00 177.93 175.63 2jmr s HIS 160 N -4.37 -0.74 0.71 5.26 5.65 -1.26 -5.16 115.29 115.38 2jmr s HIS 160 Ca -0.03 1.59 -0.13 0.00 0.25 0.00 0.00 55.06 56.73 2jmr s HIS 160 Cb 0.12 0.43 0.03 0.00 -1.18 0.00 0.00 32.58 31.97 2jmr s HIS 160 CO 0.39 -0.36 1.11 -3.38 -0.65 0.00 0.00 174.74 171.86 2jmr s HIS 161 N 1.01 2.52 0.14 3.88 -0.00 -1.26 -5.06 115.29 116.52 2jmr s HIS 161 Ca -0.05 1.57 0.02 0.00 -0.00 0.00 0.00 55.06 56.60 2jmr s HIS 161 Cb -0.05 -3.17 -0.01 0.00 -0.00 0.00 0.00 32.58 29.36 2jmr s HIS 161 CO -0.12 -1.84 0.14 1.58 -0.00 0.00 0.00 174.74 174.50 2jmr n HIS 162 N -2.83 -0.47 -2.23 0.38 -0.00 -1.26 -4.91 115.22 103.90 2jmr n HIS 162 Ca 0.10 -1.08 -0.07 0.00 -0.00 0.00 0.00 57.72 56.67 2jmr n HIS 162 Cb 0.52 0.15 -0.01 0.00 -0.00 0.00 0.00 29.99 30.65 2jmr n HIS 162 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jmr n HIS 163 N -0.25 -1.46 -3.84 1.57 -0.00 -1.26 -0.49 115.22 109.49 2jmr n HIS 163 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.46 2jmr n HIS 163 Cb 0.24 -2.03 0.04 0.00 -0.00 0.00 0.00 29.99 28.24 2jmr n HIS 163 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2jmr n LYS 164 N -2.46 -6.07 0.00 -0.41 4.76 -1.26 -1.46 118.16 111.26 2jmr n LYS 164 Ca -0.09 0.65 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 2jmr n LYS 164 Cb 0.51 -5.57 0.00 0.00 -1.84 0.00 0.00 35.03 28.12 2jmr n LYS 164 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jmr n GLN 165 N -4.75 0.00 -1.59 1.97 -0.00 0.35 -4.56 117.38 108.81 2jmr n GLN 165 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 57.01 2jmr n GLN 165 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 30.24 30.78 2jmr n GLN 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jmr n ALA 166 N 0.00 -0.36 0.59 2.61 0.00 -0.53 -4.91 120.51 117.91 2jmr n ALA 166 Ca 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 53.44 53.25 2jmr n ALA 166 Cb 0.00 0.21 0.03 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.14 1.83 -1.87 0.00 8.00 -1.26 -4.93 116.55 117.17 2jmr n ASP 167 Ca -0.02 -1.41 -0.19 0.00 0.71 0.00 0.00 54.79 53.88 2jmr n ASP 167 Cb 0.12 0.22 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 2jmr n ASP 167 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2jmr n SER 168 N 0.34 0.15 -4.64 -2.24 3.41 -1.26 -4.83 113.62 104.55 2jmr n SER 168 Ca 0.07 0.11 -0.43 0.00 -0.26 0.00 0.00 58.87 58.36 2jmr n SER 168 Cb 0.32 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 2jmr n SER 168 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2jmr s THR 169 N 3.57 3.63 -0.01 6.66 -4.23 -1.26 -3.84 115.64 120.16 2jmr s THR 169 Ca 0.56 0.72 -0.28 0.00 -1.18 0.00 0.00 61.69 61.51 2jmr s THR 169 Cb -0.55 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 69.65 2jmr s THR 169 CO 0.22 -0.22 0.87 -0.63 -0.54 0.00 0.00 174.62 174.32 2jmr s ILE 170 N 5.10 4.88 -0.30 2.99 -1.09 -0.23 -3.57 121.20 128.99 2jmr s ILE 170 Ca 0.74 1.83 0.00 0.00 -2.23 0.00 0.00 60.65 60.99 2jmr s ILE 170 Cb -0.27 -4.22 0.14 0.00 -1.58 0.00 0.00 42.46 36.53 2jmr s ILE 170 CO 0.30 0.22 0.32 -0.89 -1.23 0.00 0.00 174.94 173.66 2jmr s THR 171 N 0.77 -0.44 -0.17 2.92 2.01 -1.26 -2.74 115.64 116.73 2jmr s THR 171 Ca 0.46 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 2jmr s THR 171 Cb -0.20 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 2jmr s THR 171 CO 0.25 -0.44 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.00 2jmr s ILE 172 N 2.32 3.12 -0.06 1.82 1.01 -1.15 -0.81 121.20 127.45 2jmr s ILE 172 Ca 0.10 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.16 2jmr s ILE 172 Cb -0.14 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 39.99 2jmr s ILE 172 CO -0.30 0.49 -0.10 -0.13 0.00 0.00 0.00 174.94 174.90 2jmr s ARG 173 N 0.84 1.41 0.01 2.79 1.81 -0.74 -2.83 118.95 122.24 2jmr s ARG 173 Ca -0.03 -0.33 -0.01 0.00 -1.72 0.00 0.00 55.73 53.64 2jmr s ARG 173 Cb -0.15 -1.21 0.00 0.00 -0.45 0.00 0.00 34.95 33.14 2jmr s ARG 173 CO 0.01 0.01 0.06 0.41 -0.68 0.00 0.00 175.30 175.11 2jmr n GLY 174 N 3.82 1.28 3.20 -3.53 0.00 -0.96 -0.62 105.19 108.37 2jmr n GLY 174 Ca -0.23 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 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 -5.83 -0.59 -0.33 1.61 6.14 -1.26 -0.70 117.35 116.39 2jmr s TYR 175 Ca 0.01 1.24 -0.29 0.00 0.64 0.00 0.00 57.07 58.67 2jmr s TYR 175 Cb -0.00 0.20 0.02 0.00 0.42 0.00 0.00 41.96 42.59 2jmr s TYR 175 CO 0.00 -0.37 1.10 0.08 0.64 0.00 0.00 175.55 177.00 2jmr s VAL 176 N 1.90 4.46 0.50 3.14 1.01 -0.58 -0.12 120.40 130.72 2jmr s VAL 176 Ca -0.06 1.67 -0.18 0.00 0.00 0.00 0.00 61.98 63.42 2jmr s VAL 176 Cb -0.10 -4.42 -0.08 0.00 0.00 0.00 0.00 36.38 31.78 2jmr s VAL 176 CO -0.12 -0.52 0.99 -0.13 0.00 0.00 0.00 175.10 175.32 2jmr s ARG 177 N 3.75 3.93 0.00 2.72 1.81 -1.08 -4.22 118.95 125.86 2jmr s ARG 177 Ca 0.46 1.05 0.17 0.00 -1.72 0.00 0.00 55.73 55.70 2jmr s ARG 177 Cb -0.12 -2.13 1.04 0.00 -0.45 0.00 0.00 34.95 33.29 2jmr s ARG 177 CO 0.17 -0.29 1.62 -0.40 -0.68 0.00 0.00 175.30 175.72 2jmr n ASP 178 N -1.38 0.00 -0.44 0.23 5.75 -1.26 -0.19 116.55 119.26 2jmr n ASP 178 Ca 0.07 -1.31 0.06 0.00 -0.01 0.00 0.00 54.79 53.60 2jmr n ASP 178 Cb 0.54 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.67 2jmr n ASP 178 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63