#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmr s ALA 2 N 0.00 2.31 -0.36 -5.12 0.00 -1.26 -4.95 121.76 112.38 2jmr s ALA 2 Ca 0.00 -1.74 -0.07 0.00 0.00 0.00 0.00 51.96 50.15 2jmr s ALA 2 Cb 0.00 0.85 0.05 0.00 0.00 0.00 0.00 23.12 24.02 2jmr s ALA 2 CO 0.00 -0.38 0.15 -0.51 0.00 0.00 0.00 175.76 175.02 2jmr s ASP 3 N -3.46 5.39 0.12 0.00 1.01 -1.26 -5.03 116.67 113.44 2jmr s ASP 3 Ca 0.33 -1.27 -0.11 0.00 0.71 0.00 0.00 52.55 52.20 2jmr s ASP 3 Cb 0.06 -1.90 0.01 0.00 1.01 0.00 0.00 42.92 42.11 2jmr s ASP 3 CO 0.15 -0.39 0.28 -0.44 0.21 0.00 0.00 175.17 174.98 2jmr s SER 4 N 1.59 -0.01 0.51 0.27 0.01 -1.26 -5.13 113.70 109.67 2jmr s SER 4 Ca 0.00 -0.58 -0.23 0.00 1.31 0.00 0.00 55.95 56.45 2jmr s SER 4 Cb -0.20 0.40 -0.06 0.00 0.21 0.00 0.00 66.02 66.37 2jmr s SER 4 CO 0.02 -0.81 1.37 0.28 0.41 0.00 0.00 173.24 174.52 2jmr s THR 5 N -3.86 2.13 0.05 1.44 -1.32 -1.26 -4.77 115.64 108.04 2jmr s THR 5 Ca 0.06 0.10 -0.04 0.00 -1.21 0.00 0.00 61.69 60.60 2jmr s THR 5 Cb 0.03 -3.05 -0.02 0.00 -1.51 0.00 0.00 72.50 67.95 2jmr s THR 5 CO -0.09 0.00 0.07 0.27 -2.21 0.00 0.00 174.62 172.66 2jmr s ILE 6 N -1.28 0.15 -0.24 5.08 -4.36 -1.26 -5.09 121.20 114.21 2jmr s ILE 6 Ca 0.68 -1.27 -0.28 0.00 -0.26 0.00 0.00 60.65 59.51 2jmr s ILE 6 Cb -0.41 -1.06 -0.04 0.00 1.25 0.00 0.00 42.46 42.20 2jmr s ILE 6 CO 0.50 -0.70 2.09 -0.89 0.24 0.00 0.00 174.94 176.18 2jmr s THR 7 N -3.01 3.14 0.39 8.37 2.01 -1.26 -4.82 115.64 120.46 2jmr s THR 7 Ca -0.01 0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.21 2jmr s THR 7 Cb 0.01 -3.18 -0.07 0.00 0.01 0.00 0.00 72.50 69.27 2jmr s THR 7 CO -0.07 -0.11 0.03 -0.63 -0.69 0.00 0.00 174.62 173.15 2jmr s ILE 8 N 7.74 2.20 0.00 1.82 -1.09 -1.26 -4.93 121.20 125.67 2jmr s ILE 8 Ca 0.94 -1.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 2jmr s ILE 8 Cb -0.31 -2.91 0.00 0.00 -1.58 0.00 0.00 42.46 37.66 2jmr s ILE 8 CO 0.35 -0.06 0.00 -1.14 -1.23 0.00 0.00 174.94 172.86 2jmr n ARG 9 N -1.00 0.00 -3.29 2.79 3.00 -1.26 -5.07 116.66 111.83 2jmr n ARG 9 Ca -0.04 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.45 2jmr n ARG 9 Cb 0.65 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 33.05 2jmr n ARG 9 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2jmr s GLY 10 N -2.52 2.53 0.00 5.14 0.00 -1.26 -4.99 107.32 106.21 2jmr s GLY 10 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.68 2jmr s GLY 10 CO 0.00 0.28 0.00 1.58 0.00 0.00 0.00 173.10 174.96 2jmr n TYR 11 N 0.94 0.00 0.00 1.90 0.18 -1.26 -4.90 117.16 114.01 2jmr n TYR 11 Ca -0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.73 2jmr n TYR 11 Cb 0.51 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.47 2jmr n TYR 11 CO 0.00 0.00 0.00 1.33 -2.08 0.00 0.00 176.86 176.11 2jmr n VAL 12 N -0.23 0.00 -3.68 -3.48 0.24 -1.26 -3.62 118.33 106.30 2jmr n VAL 12 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.03 2jmr n VAL 12 Cb 0.00 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.20 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 0.38 -0.15 7.34 3.00 -1.26 -5.04 118.95 123.23 2jmr s ARG 13 Ca 0.00 -0.23 -0.20 0.00 -1.00 0.00 0.00 55.73 54.30 2jmr s ARG 13 Cb 0.00 -1.90 -0.17 0.00 0.00 0.00 0.00 34.95 32.87 2jmr s ARG 13 CO 0.00 -0.63 0.42 0.22 0.00 0.00 0.00 175.30 175.31 2jmr h ASP 14 N 8.33 0.00 -3.22 -2.12 3.58 -1.93 0.16 116.42 121.22 2jmr h ASP 14 Ca -0.16 -0.61 -0.76 0.00 0.42 0.00 0.00 57.03 55.92 2jmr h ASP 14 Cb 1.13 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 41.93 2jmr h ASP 14 CO 0.31 0.98 -0.20 0.20 -2.88 0.00 0.00 179.24 177.64 2jmr s ASN 15 N -6.17 6.19 0.00 2.28 -0.87 -1.26 -2.63 114.94 112.47 2jmr s ASN 15 Ca -0.17 -1.93 0.00 0.00 -1.57 0.00 0.00 52.86 49.19 2jmr s ASN 15 Cb -0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 41.25 39.05 2jmr s ASN 15 CO 0.49 -0.80 0.00 0.61 -2.57 0.00 0.00 177.10 174.83 2jmr n GLY 16 N 5.03 0.18 3.89 0.66 0.00 -1.26 -5.08 105.19 108.60 2jmr n GLY 16 Ca -0.10 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 2jmr n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr h SER 18 N 0.81 0.00 -4.67 0.00 0.87 -1.12 -3.48 113.55 105.97 2jmr h SER 18 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2jmr h SER 18 Cb 1.31 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.24 2jmr h SER 18 CO 0.59 0.24 -1.06 0.52 -0.53 0.00 0.00 176.83 176.59 2jmr n VAL 19 N -3.50-12.64 -2.07 2.23 0.31 -1.25 -4.96 118.33 96.45 2jmr n VAL 19 Ca -0.00 2.89 -0.35 0.00 -0.01 0.00 0.00 64.34 66.86 2jmr n VAL 19 Cb 0.41 -6.02 0.02 0.00 -0.91 0.00 0.00 33.84 27.33 2jmr n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jmr s ALA 20 N -0.57 2.59 0.18 3.52 0.00 -0.32 -4.72 121.76 122.43 2jmr s ALA 20 Ca -0.07 0.86 0.34 0.00 0.00 0.00 0.00 51.96 53.09 2jmr s ALA 20 Cb 0.00 -3.39 1.71 0.00 0.00 0.00 0.00 23.12 21.44 2jmr s ALA 20 CO 0.18 -1.02 2.02 0.00 0.00 0.00 0.00 175.76 176.93 2jmr h ALA 21 N 0.88 1.00 0.00 0.00 0.00 -1.87 0.03 119.26 119.29 2jmr h ALA 21 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jmr h ALA 21 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2jmr h ALA 21 CO 0.56 0.00 0.00 0.39 0.00 0.00 0.00 179.25 180.20 2jmr n GLU 22 N -2.74 0.20 0.00 0.00 -0.58 -1.26 -3.74 120.64 112.53 2jmr n GLU 22 Ca -0.01 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2jmr n GLU 22 Cb 0.12 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 2jmr n GLU 22 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2jmr n SER 23 N -1.15 0.06 -4.51 1.62 3.41 -0.09 -4.77 113.62 108.19 2jmr n SER 23 Ca 0.05 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.21 2jmr n SER 23 Cb 0.05 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 2jmr n SER 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2jmr n THR 24 N -2.65 0.18 -1.19 6.66 -1.04 -0.66 -2.43 114.28 113.15 2jmr n THR 24 Ca 0.00 -0.38 -0.07 0.00 -2.04 0.00 0.00 64.05 61.56 2jmr n THR 24 Cb 0.19 -2.02 -0.03 0.00 -1.82 0.00 0.00 70.33 66.64 2jmr n THR 24 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2jmr n ASN 25 N 11.32 -4.35 -4.68 8.00 5.03 -0.91 -4.71 115.26 124.96 2jmr n ASN 25 Ca 0.39 0.16 -0.29 0.00 0.87 0.00 0.00 54.58 55.71 2jmr n ASN 25 Cb 0.33 -2.44 0.12 0.00 -1.02 0.00 0.00 39.78 36.77 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 -2.06 2.51 -0.21 3.10 -0.71 -1.02 -4.91 117.98 114.67 2jmr s PHE 26 Ca 0.00 0.66 -0.06 0.00 -1.04 0.00 0.00 56.93 56.49 2jmr s PHE 26 Cb 0.00 -3.62 -0.03 0.00 -1.21 0.00 0.00 43.02 38.16 2jmr s PHE 26 CO 0.00 -2.13 0.03 0.99 -1.34 0.00 0.00 175.22 172.77 2jmr s THR 27 N -3.58 4.15 -0.26 -4.49 2.01 -1.26 -3.60 115.64 108.59 2jmr s THR 27 Ca 0.65 -0.24 -0.25 0.00 0.31 0.00 0.00 61.69 62.16 2jmr s THR 27 Cb -0.10 -2.89 -0.00 0.00 0.01 0.00 0.00 72.50 69.51 2jmr s THR 27 CO 0.51 0.40 0.83 -0.69 -0.69 0.00 0.00 174.62 174.99 2jmr s VAL 28 N 1.12 4.80 0.26 3.82 1.01 -0.27 -5.01 120.40 126.14 2jmr s VAL 28 Ca 0.03 1.48 -0.29 0.00 0.00 0.00 0.00 61.98 63.20 2jmr s VAL 28 Cb -0.14 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 2jmr s VAL 28 CO 0.02 -0.14 0.95 -0.62 0.00 0.00 0.00 175.10 175.31 2jmr s ASP 29 N 1.43 7.57 0.00 3.32 2.15 -1.26 -0.47 116.67 129.41 2jmr s ASP 29 Ca 0.35 1.95 0.00 0.00 0.43 0.00 0.00 52.55 55.27 2jmr s ASP 29 Cb -0.15 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 2jmr s ASP 29 CO 0.09 0.10 0.78 -0.11 -0.17 0.00 0.00 175.17 175.86 2jmr n LEU 30 N 1.31 1.24 0.00 -1.34 7.94 -0.48 -4.88 117.00 120.79 2jmr n LEU 30 Ca -0.01 -1.24 0.00 0.00 -1.11 0.00 0.00 56.01 53.65 2jmr n LEU 30 Cb 0.47 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.42 2jmr n LEU 30 CO 0.49 0.31 0.00 0.23 -1.11 0.00 0.00 177.39 177.31 2jmr n MET 31 N -0.29 0.00 -3.69 1.96 2.81 -1.26 -4.92 117.12 111.73 2jmr n MET 31 Ca 0.00 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.70 2jmr n MET 31 Cb 0.31 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.78 2jmr n MET 31 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2jmr n GLU 32 N -0.10 0.92 0.00 0.03 0.00 -1.26 -2.99 120.64 117.23 2jmr n GLU 32 Ca 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 57.16 54.77 2jmr n GLU 32 Cb 0.00 0.98 0.00 0.00 0.00 0.00 0.00 31.44 32.42 2jmr n GLU 32 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2jmr n ASN 33 N -1.47 0.00 -3.62 -1.84 3.02 -1.24 -4.94 115.26 105.17 2jmr n ASN 33 Ca -0.09 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.38 2jmr n ASN 33 Cb 0.42 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.57 2jmr n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jmr s ALA 34 N -1.96 -1.58 0.05 5.41 0.00 -1.26 -4.01 121.76 118.42 2jmr s ALA 34 Ca 0.00 0.35 -0.21 0.00 0.00 0.00 0.00 51.96 52.10 2jmr s ALA 34 Cb 0.00 0.71 -0.13 0.00 0.00 0.00 0.00 23.12 23.71 2jmr s ALA 34 CO 0.00 -0.87 1.47 0.00 0.00 0.00 0.00 175.76 176.35 2jmr h ALA 35 N 2.00 0.20 -0.03 0.00 0.00 -0.25 -3.36 119.26 117.82 2jmr h ALA 35 Ca -0.25 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jmr h ALA 35 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jmr h ALA 35 CO 0.30 -0.08 0.00 0.36 0.00 0.00 0.00 179.25 179.83 2jmr n LYS 36 N -4.73 1.19 0.15 0.00 -0.00 -1.26 -1.17 118.16 112.33 2jmr n LYS 36 Ca -0.05 -0.28 0.11 0.00 -0.00 0.00 0.00 58.31 58.09 2jmr n LYS 36 Cb 0.23 -1.40 0.06 0.00 -0.00 0.00 0.00 35.03 33.92 2jmr n LYS 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 2jmr h GLN 37 N 0.62 0.00 -4.47 -1.58 3.07 -1.97 -3.41 115.11 107.37 2jmr h GLN 37 Ca 0.00 0.00 -0.73 0.00 0.09 0.00 0.00 58.65 58.01 2jmr h GLN 37 Cb 0.13 0.00 -0.21 0.00 0.08 0.00 0.00 27.48 27.48 2jmr h GLN 37 CO 0.00 0.01 0.25 -0.06 0.09 0.00 0.00 178.83 179.12 2jmr s PHE 38 N -3.30 3.27 0.00 0.06 0.08 -0.32 -4.87 117.98 112.91 2jmr s PHE 38 Ca 0.02 -1.39 0.00 0.00 0.12 0.00 0.00 56.93 55.68 2jmr s PHE 38 Cb 0.08 -4.00 0.00 0.00 -0.57 0.00 0.00 43.02 38.52 2jmr s PHE 38 CO 0.75 -1.23 0.00 0.27 -0.10 0.00 0.00 175.22 174.91 2jmr n ASN 39 N 5.60 0.00 -4.52 1.36 6.94 -1.26 -4.65 115.26 118.72 2jmr n ASN 39 Ca 0.05 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.31 2jmr n ASN 39 Cb 0.45 0.00 0.22 0.00 -2.36 0.00 0.00 39.78 38.09 2jmr n ASN 39 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2jmr n ASN 40 N 0.00 -1.09 0.01 0.53 2.04 -1.26 -3.88 115.26 111.61 2jmr n ASN 40 Ca 0.00 0.06 0.10 0.00 -0.44 0.00 0.00 54.58 54.29 2jmr n ASN 40 Cb 0.00 -1.31 0.42 0.00 -2.53 0.00 0.00 39.78 36.35 2jmr n ASN 40 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 2jmr n ILE 41 N -4.65 0.67 0.98 1.53 -0.00 -1.26 -0.56 119.36 116.06 2jmr n ILE 41 Ca 0.06 0.16 0.14 0.00 -0.00 0.00 0.00 62.75 63.11 2jmr n ILE 41 Cb 0.54 -0.84 0.59 0.00 -0.00 0.00 0.00 39.64 39.93 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 0.50 -1.50 3.55 7.39 0.00 -1.26 -4.67 105.19 109.21 2jmr n GLY 42 Ca 0.05 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2jmr n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr s ALA 43 N -3.01 1.85 0.76 4.61 0.00 0.27 -4.96 121.76 121.29 2jmr s ALA 43 Ca 0.14 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 2jmr s ALA 43 Cb 0.19 -4.42 0.15 0.00 0.00 0.00 0.00 23.12 19.04 2jmr s ALA 43 CO 0.54 -4.40 1.05 0.95 0.00 0.00 0.00 175.76 173.89 2jmr s THR 44 N 10.07 2.05 0.27 0.00 -4.23 -1.26 -2.58 115.64 119.96 2jmr s THR 44 Ca 0.72 -0.56 0.07 0.00 -1.18 0.00 0.00 61.69 60.75 2jmr s THR 44 Cb -0.11 -2.49 -0.06 0.00 1.34 0.00 0.00 72.50 71.19 2jmr s THR 44 CO 0.13 0.00 -0.08 0.42 -0.54 0.00 0.00 174.62 174.55 2jmr s THR 45 N -3.24 1.73 -0.12 3.99 -4.23 -1.25 -4.94 115.64 107.59 2jmr s THR 45 Ca 0.68 -2.15 -0.29 0.00 -1.18 0.00 0.00 61.69 58.75 2jmr s THR 45 Cb -0.04 -2.41 -0.06 0.00 1.34 0.00 0.00 72.50 71.33 2jmr s THR 45 CO 0.46 -0.33 1.92 -2.84 -0.54 0.00 0.00 174.62 173.28 2jmr s PRO 46 N -3.70 3.76 1.08 3.99 0.02 -1.26 -4.89 135.00 133.99 2jmr s PRO 46 Ca 0.29 2.15 -0.13 0.00 0.02 0.00 0.00 61.00 63.33 2jmr s PRO 46 Cb 0.03 -4.17 0.20 0.00 0.02 0.00 0.00 34.50 30.58 2jmr s PRO 46 CO 0.12 -1.37 0.86 1.33 -0.33 0.00 0.00 177.00 177.60 2jmr n VAL 47 N 6.42 0.00 -4.53 3.83 0.24 -1.26 -4.91 118.33 118.11 2jmr n VAL 47 Ca 0.22 -0.28 -0.21 0.00 -2.04 0.00 0.00 64.34 62.03 2jmr n VAL 47 Cb 0.43 -0.91 -0.15 0.00 -1.47 0.00 0.00 33.84 31.75 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 -2.45 0.95 0.43 3.34 1.01 -0.66 -5.00 120.40 118.03 2jmr s VAL 48 Ca 0.65 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 2jmr s VAL 48 Cb -0.23 -0.80 -0.08 0.00 0.00 0.00 0.00 36.38 35.28 2jmr s VAL 48 CO 0.64 0.27 1.23 -2.16 0.00 0.00 0.00 175.10 175.07 2jmr s PRO 49 N -0.23 3.85 0.04 2.72 0.04 -1.26 -1.77 135.00 138.39 2jmr s PRO 49 Ca 0.04 1.96 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 2jmr s PRO 49 Cb -0.05 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 2jmr s PRO 49 CO -0.00 -0.53 0.01 0.12 0.04 0.00 0.00 177.00 176.64 2jmr s PHE 50 N -1.39 0.38 0.19 0.56 5.36 -0.45 -4.81 117.98 117.81 2jmr s PHE 50 Ca 0.60 -0.82 -0.19 0.00 -0.96 0.00 0.00 56.93 55.57 2jmr s PHE 50 Cb -0.33 -0.28 0.04 0.00 -0.34 0.00 0.00 43.02 42.10 2jmr s PHE 50 CO 0.41 -0.35 0.53 -0.98 -1.46 0.00 0.00 175.22 173.38 2jmr s ARG 51 N -3.17 1.35 -0.21 10.12 1.04 -1.26 -1.20 118.95 125.62 2jmr s ARG 51 Ca -0.00 -0.78 -0.04 0.00 -1.04 0.00 0.00 55.73 53.86 2jmr s ARG 51 Cb 0.02 0.53 -0.01 0.00 -2.04 0.00 0.00 34.95 33.45 2jmr s ARG 51 CO -0.07 -0.58 -0.03 0.42 -0.04 0.00 0.00 175.30 175.01 2jmr s ILE 52 N -3.85 3.59 -0.32 4.99 1.01 -1.26 -4.86 121.20 120.50 2jmr s ILE 52 Ca 0.07 -0.43 -0.17 0.00 0.00 0.00 0.00 60.65 60.13 2jmr s ILE 52 Cb -0.01 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 2jmr s ILE 52 CO -0.05 0.42 0.45 -0.22 0.00 0.00 0.00 174.94 175.54 2jmr s LEU 53 N 1.29 4.26 -0.38 2.97 0.20 -1.26 -4.21 118.68 121.55 2jmr s LEU 53 Ca 0.04 0.07 -0.10 0.00 0.69 0.00 0.00 54.13 54.82 2jmr s LEU 53 Cb -0.14 -2.50 0.04 0.00 -0.43 0.00 0.00 46.19 43.15 2jmr s LEU 53 CO -0.01 -0.36 0.21 -0.76 -0.29 0.00 0.00 176.35 175.15 2jmr s LEU 54 N 2.23 4.77 -0.03 -0.68 2.01 -1.04 -1.17 118.68 124.77 2jmr s LEU 54 Ca 0.17 -1.09 -0.30 0.00 0.01 0.00 0.00 54.13 52.91 2jmr s LEU 54 Cb -0.16 -2.01 0.11 0.00 0.01 0.00 0.00 46.19 44.15 2jmr s LEU 54 CO 0.12 -0.41 1.17 -0.44 1.01 0.00 0.00 176.35 177.80 2jmr s SER 55 N 1.64 -0.13 0.84 2.29 0.01 -1.26 -1.29 113.70 115.79 2jmr s SER 55 Ca 0.02 -0.14 -0.11 0.00 1.31 0.00 0.00 55.95 57.04 2jmr s SER 55 Cb -0.20 0.24 0.10 0.00 0.21 0.00 0.00 66.02 66.36 2jmr s SER 55 CO 0.06 -0.42 1.12 -2.16 0.41 0.00 0.00 173.24 172.25 2jmr s PRO 56 N -2.64 1.68 0.06 12.44 0.04 -1.26 -2.57 135.00 142.75 2jmr s PRO 56 Ca 0.12 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2jmr s PRO 56 Cb 0.02 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 2jmr s PRO 56 CO -0.03 -2.11 -0.05 0.00 0.04 0.00 0.00 177.00 174.85 2jmr n GLY 58 N 0.34 0.65 0.00 0.00 0.00 0.55 -4.29 105.19 102.45 2jmr n GLY 58 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.93 -2.96 1.61 2.85 -1.25 -2.15 115.26 114.29 2jmr n ASN 59 Ca 0.00 -0.40 -0.29 0.00 -0.11 0.00 0.00 54.58 53.77 2jmr n ASN 59 Cb 0.00 0.99 -0.02 0.00 1.24 0.00 0.00 39.78 41.99 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jmr n ALA 60 N -1.09 4.97 -2.36 5.20 0.00 -1.08 -4.85 120.51 121.31 2jmr n ALA 60 Ca 0.00 -4.62 -0.18 0.00 0.00 0.00 0.00 53.44 48.64 2jmr n ALA 60 Cb 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 2jmr n ALA 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jmr s VAL 61 N -4.64 0.85 0.26 0.00 -7.23 -1.26 -4.37 120.40 104.01 2jmr s VAL 61 Ca 0.48 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 2jmr s VAL 61 Cb 0.29 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.62 2jmr s VAL 61 CO -0.15 -0.08 0.00 -1.20 -0.31 0.00 0.00 175.10 173.36 2jmr n SER 62 N -0.52 -1.43 -3.05 4.85 7.64 -1.26 -4.93 113.62 114.93 2jmr n SER 62 Ca -0.02 0.47 -0.10 0.00 1.01 0.00 0.00 58.87 60.23 2jmr n SER 62 Cb 0.66 1.48 0.01 0.00 -1.01 0.00 0.00 64.21 65.35 2jmr n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr s ALA 63 N -2.00 -0.42 0.09 -0.43 0.00 -1.26 -0.83 121.76 116.90 2jmr s ALA 63 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2jmr s ALA 63 Cb 0.00 0.79 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 2jmr s ALA 63 CO 0.00 -0.94 0.05 1.33 0.00 0.00 0.00 175.76 176.19 2jmr n VAL 64 N -0.53 0.00 -4.60 0.00 0.24 -1.26 -2.75 118.33 109.43 2jmr n VAL 64 Ca -0.06 -0.55 -0.28 0.00 -2.04 0.00 0.00 64.34 61.41 2jmr n VAL 64 Cb 0.60 0.23 -0.08 0.00 -1.47 0.00 0.00 33.84 33.12 2jmr n VAL 64 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jmr s LYS 65 N -2.34 2.01 -0.10 7.34 3.01 0.56 -4.48 119.74 125.74 2jmr s LYS 65 Ca 0.07 -2.24 -0.01 0.00 -1.01 0.00 0.00 55.97 52.78 2jmr s LYS 65 Cb 0.00 -0.95 0.03 0.00 -1.01 0.00 0.00 37.83 35.90 2jmr s LYS 65 CO 0.05 -0.42 -0.03 0.14 0.51 0.00 0.00 175.35 175.60 2jmr s VAL 66 N -3.09 0.67 -0.37 3.17 -7.23 -1.26 -0.87 120.40 111.42 2jmr s VAL 66 Ca 0.19 -0.10 -0.12 0.00 -1.81 0.00 0.00 61.98 60.13 2jmr s VAL 66 Cb 0.03 -0.79 0.01 0.00 0.56 0.00 0.00 36.38 36.19 2jmr s VAL 66 CO 0.11 0.27 0.23 -0.83 -0.31 0.00 0.00 175.10 174.58 2jmr s GLY 67 N 1.85 1.95 -0.12 2.32 0.00 -0.11 -4.84 107.32 108.36 2jmr s GLY 67 Ca 0.05 -1.62 -0.17 0.00 0.00 0.00 0.00 44.72 42.97 2jmr s GLY 67 CO -0.07 0.84 0.45 -1.36 0.00 0.00 0.00 173.10 172.96 2jmr s PHE 68 N 1.62 3.51 -0.03 1.90 0.08 -1.26 -0.51 117.98 123.30 2jmr s PHE 68 Ca 0.04 0.85 -0.10 0.00 0.12 0.00 0.00 56.93 57.84 2jmr s PHE 68 Cb -0.19 -2.51 0.01 0.00 -0.57 0.00 0.00 43.02 39.77 2jmr s PHE 68 CO 0.08 0.20 0.21 0.95 -0.10 0.00 0.00 175.22 176.56 2jmr s THR 69 N 0.54 0.05 -5.00 0.64 -4.23 -0.62 -0.72 115.64 106.30 2jmr s THR 69 Ca 0.25 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 2jmr s THR 69 Cb -0.15 -0.46 0.00 0.00 1.34 0.00 0.00 72.50 73.24 2jmr s THR 69 CO 0.09 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 2jmr n GLY 70 N 1.83 0.34 3.60 3.99 0.00 -1.26 -0.79 105.19 112.90 2jmr n GLY 70 Ca -0.20 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.68 5.17 0.45 1.61 1.01 -1.26 -4.85 120.40 118.86 2jmr s VAL 71 Ca 0.00 0.56 -0.20 0.00 0.00 0.00 0.00 61.98 62.34 2jmr s VAL 71 Cb 0.00 -3.71 -0.10 0.00 0.00 0.00 0.00 36.38 32.57 2jmr s VAL 71 CO 0.00 0.14 0.97 0.00 0.00 0.00 0.00 175.10 176.21 2jmr s ALA 72 N 2.08 3.03 0.46 5.51 0.00 -1.26 -1.06 121.76 130.52 2jmr s ALA 72 Ca 0.15 0.37 -0.22 0.00 0.00 0.00 0.00 51.96 52.26 2jmr s ALA 72 Cb -0.16 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 2jmr s ALA 72 CO 0.10 0.00 1.09 0.34 0.00 0.00 0.00 175.76 177.29 2jmr s ASP 73 N -2.36 6.31 0.50 0.00 2.15 -0.18 -4.33 116.67 118.77 2jmr s ASP 73 Ca 0.62 2.10 0.33 0.00 0.43 0.00 0.00 52.55 56.03 2jmr s ASP 73 Cb -0.10 -2.58 1.58 0.00 -0.30 0.00 0.00 42.92 41.52 2jmr s ASP 73 CO 0.18 -0.81 2.00 0.28 -0.17 0.00 0.00 175.17 176.65 2jmr h SER 74 N 1.89 0.00 0.00 -0.34 0.02 -1.94 -3.16 113.55 110.02 2jmr h SER 74 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2jmr h SER 74 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2jmr h SER 74 CO 0.60 0.00 -0.52 1.41 -1.14 0.00 0.00 176.83 177.18 2jmr n HIS 75 N -2.80 0.00 -3.86 3.45 8.25 -1.26 -4.80 115.22 114.20 2jmr n HIS 75 Ca -0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 2jmr n HIS 75 Cb 0.18 -0.26 -0.12 0.00 1.12 0.00 0.00 29.99 30.91 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 -5.92 4.74 0.35 0.41 0.02 -1.26 -4.99 114.94 108.29 2jmr s ASN 76 Ca -0.15 -2.84 0.25 0.00 -1.02 0.00 0.00 52.86 49.10 2jmr s ASN 76 Cb 0.02 -1.73 1.25 0.00 0.02 0.00 0.00 41.25 40.81 2jmr s ASN 76 CO 0.22 -0.31 1.76 0.00 0.02 0.00 0.00 177.10 178.79 2jmr h ALA 77 N 6.86 1.00 0.00 0.60 0.00 -1.86 -1.49 119.26 124.37 2jmr h ALA 77 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jmr h ALA 77 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2jmr h ALA 77 CO 0.68 0.00 0.00 -0.91 0.00 0.00 0.00 179.25 179.02 2jmr h ASN 78 N 0.00 0.00 -3.03 0.00 2.35 -1.94 -3.36 115.58 109.60 2jmr h ASN 78 Ca 0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 2jmr h ASN 78 Cb 0.13 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 2jmr h ASN 78 CO 0.00 0.00 -0.27 -0.76 -1.65 0.00 0.00 177.43 174.75 2jmr s LEU 79 N -5.88 4.39 0.26 1.61 2.01 -0.56 -4.03 118.68 116.48 2jmr s LEU 79 Ca -0.02 0.78 -0.31 0.00 0.01 0.00 0.00 54.13 54.60 2jmr s LEU 79 Cb 0.11 -2.79 -0.12 0.00 0.01 0.00 0.00 46.19 43.40 2jmr s LEU 79 CO 0.43 0.24 1.54 -0.11 1.01 0.00 0.00 176.35 179.45 2jmr n LEU 80 N 1.23 3.85 -4.41 1.79 0.00 -1.13 -1.00 117.00 117.32 2jmr n LEU 80 Ca -0.11 1.14 -0.29 0.00 0.00 0.00 0.00 56.01 56.75 2jmr n LEU 80 Cb 0.53 -1.53 0.27 0.00 0.00 0.00 0.00 43.42 42.69 2jmr n LEU 80 CO 0.40 -0.09 0.47 0.00 0.00 0.00 0.00 177.39 178.17 2jmr s ALA 81 N 0.07 -0.51 0.00 1.96 0.00 -0.22 -1.33 121.76 121.73 2jmr s ALA 81 Ca 0.67 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2jmr s ALA 81 Cb -0.56 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2jmr s ALA 81 CO 0.48 -4.20 0.00 1.28 0.00 0.00 0.00 175.76 173.32 2jmr n LEU 82 N -5.26 0.00 -0.11 0.00 4.32 -1.26 -4.58 117.00 110.11 2jmr n LEU 82 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 2jmr n LEU 82 Cb 0.58 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 2jmr n LEU 82 CO 0.49 -0.29 0.30 -1.84 -1.22 0.00 0.00 177.39 174.83 2jmr n GLU 83 N -0.58 0.67 -3.84 3.23 0.28 0.04 -4.81 120.64 115.64 2jmr n GLU 83 Ca 0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.74 2jmr n GLU 83 Cb 0.00 -1.08 0.01 0.00 1.43 0.00 0.00 31.44 31.80 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 -0.35 -1.66 -4.25 -1.84 5.15 -1.26 -4.97 115.26 106.08 2jmr n ASN 84 Ca 0.00 -0.97 -0.14 0.00 -0.60 0.00 0.00 54.58 52.87 2jmr n ASN 84 Cb 0.04 -3.33 -0.10 0.00 -0.53 0.00 0.00 39.78 35.85 2jmr n ASN 84 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2jmr s THR 85 N -3.78 0.43 0.33 -0.44 -1.32 -1.26 -5.03 115.64 104.56 2jmr s THR 85 Ca 0.11 -1.98 0.01 0.00 -1.21 0.00 0.00 61.69 58.62 2jmr s THR 85 Cb -0.04 -2.37 0.25 0.00 -1.51 0.00 0.00 72.50 68.83 2jmr s THR 85 CO 0.87 -0.22 1.98 -0.37 -2.21 0.00 0.00 174.62 174.67 2jmr h VAL 86 N 2.59 1.18 -0.00 5.08 -1.51 -1.99 -0.46 116.25 121.14 2jmr h VAL 86 Ca -0.37 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 2jmr h VAL 86 Cb 1.23 0.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 2jmr h VAL 86 CO 0.60 0.19 -0.01 -1.20 -1.23 0.00 0.00 177.57 175.92 2jmr n SER 87 N -4.41 0.13 -4.87 4.19 7.64 -1.26 -4.77 113.62 110.27 2jmr n SER 87 Ca 0.07 -0.73 -0.30 0.00 1.01 0.00 0.00 58.87 58.91 2jmr n SER 87 Cb 0.06 -0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 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 -2.21 3.27 0.58 -0.43 0.00 -0.18 -2.40 121.76 120.39 2jmr s ALA 88 Ca 0.40 -0.14 -0.16 0.00 0.00 0.00 0.00 51.96 52.05 2jmr s ALA 88 Cb 0.21 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 2jmr s ALA 88 CO 0.41 -0.14 1.06 0.00 0.00 0.00 0.00 175.76 177.08 2jmr s ALA 89 N -2.52 2.75 0.59 0.00 0.00 -1.25 -4.64 121.76 116.69 2jmr s ALA 89 Ca 0.53 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.80 2jmr s ALA 89 Cb -0.10 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 2jmr s ALA 89 CO 0.34 -0.77 1.01 -1.12 0.00 0.00 0.00 175.76 175.22 2jmr s SER 90 N -2.67 6.30 -0.63 0.00 0.01 -1.26 -4.57 113.70 110.89 2jmr s SER 90 Ca 0.64 1.42 0.00 0.00 1.31 0.00 0.00 55.95 59.32 2jmr s SER 90 Cb -0.16 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2jmr s SER 90 CO 0.35 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.80 2jmr n GLY 91 N -2.53 0.01 2.35 3.44 0.00 -1.26 -4.80 105.19 102.39 2jmr n GLY 91 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 2jmr n GLY 91 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jmr n LEU 92 N -2.11 2.08 -4.76 0.99 4.77 -1.26 -0.53 117.00 116.17 2jmr n LEU 92 Ca -0.07 -5.08 -0.38 0.00 -0.03 0.00 0.00 56.01 50.45 2jmr n LEU 92 Cb 0.41 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 2jmr n LEU 92 CO 0.10 2.04 0.91 -0.83 -1.33 0.00 0.00 177.39 178.28 2jmr s GLY 93 N -1.80 2.83 0.37 -0.72 0.00 -0.79 -4.76 107.32 102.46 2jmr s GLY 93 Ca 0.37 1.14 -0.28 0.00 0.00 0.00 0.00 44.72 45.95 2jmr s GLY 93 CO -0.07 1.63 1.37 -0.42 0.00 0.00 0.00 173.10 175.61 2jmr s ILE 94 N -1.42 2.45 -0.37 0.90 -1.09 -0.44 -0.94 121.20 120.29 2jmr s ILE 94 Ca 0.67 0.43 0.04 0.00 -2.23 0.00 0.00 60.65 59.56 2jmr s ILE 94 Cb -0.35 -3.27 0.11 0.00 -1.58 0.00 0.00 42.46 37.37 2jmr s ILE 94 CO 0.41 0.09 0.09 -1.58 -1.23 0.00 0.00 174.94 172.73 2jmr s GLN 95 N -2.04 1.49 -0.15 2.79 0.74 0.27 -2.85 119.66 119.92 2jmr s GLN 95 Ca 0.53 -1.94 -0.10 0.00 0.05 0.00 0.00 55.36 53.90 2jmr s GLN 95 Cb -0.42 -3.11 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 2jmr s GLN 95 CO 0.55 -0.98 0.19 -0.51 -0.55 0.00 0.00 175.29 173.99 2jmr s LEU 96 N 0.75 4.30 0.16 3.68 1.43 -1.26 -0.49 118.68 127.24 2jmr s LEU 96 Ca 0.12 0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 53.50 2jmr s LEU 96 Cb -0.20 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 43.86 2jmr s LEU 96 CO -0.08 0.26 0.42 -1.48 0.23 0.00 0.00 176.35 175.69 2jmr s LEU 97 N -0.21 0.43 1.00 1.79 -0.00 -1.05 -2.69 118.68 117.95 2jmr s LEU 97 Ca 0.13 -0.50 -0.16 0.00 -0.00 0.00 0.00 54.13 53.60 2jmr s LEU 97 Cb -0.12 1.80 0.21 0.00 -0.00 0.00 0.00 46.19 48.08 2jmr s LEU 97 CO 0.02 -0.93 1.29 0.54 -0.00 0.00 0.00 176.35 177.27 2jmr s ASN 98 N -2.86 2.76 0.30 1.48 6.03 -1.24 -1.34 114.94 120.06 2jmr s ASN 98 Ca 0.08 0.34 -0.01 0.00 -1.03 0.00 0.00 52.86 52.24 2jmr s ASN 98 Cb 0.01 -0.42 0.67 0.00 -3.03 0.00 0.00 41.25 38.49 2jmr s ASN 98 CO -0.06 -2.96 1.57 -0.08 -2.03 0.00 0.00 177.10 173.54 2jmr h GLU 99 N -1.80 0.01 -0.24 3.55 4.22 -1.80 0.25 114.58 118.77 2jmr h GLU 99 Ca -0.44 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.99 2jmr h GLU 99 Cb 1.25 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2jmr h GLU 99 CO 0.38 0.00 0.00 1.04 -2.18 0.00 0.00 179.01 178.25 2jmr n GLN 100 N -5.52 0.91 -4.00 1.92 6.02 -1.26 -4.86 117.38 110.58 2jmr n GLN 100 Ca 0.21 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.91 2jmr n GLN 100 Cb 0.69 -1.12 -0.01 0.00 1.02 0.00 0.00 30.24 30.82 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 -0.36 -3.83 -3.69 -1.09 6.02 0.87 -4.93 117.38 110.38 2jmr n GLN 101 Ca 0.00 0.45 -0.38 0.00 -0.01 0.00 0.00 57.00 57.07 2jmr n GLN 101 Cb 0.06 -4.94 -0.12 0.00 1.02 0.00 0.00 30.24 26.26 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 -3.86 5.42 0.09 1.08 3.04 -1.26 -4.93 114.94 114.52 2jmr s ASN 102 Ca 0.34 -0.35 -0.35 0.00 0.04 0.00 0.00 52.86 52.53 2jmr s ASN 102 Cb -0.18 -1.98 -0.15 0.00 -1.54 0.00 0.00 41.25 37.40 2jmr s ASN 102 CO 0.88 -0.12 1.53 1.67 -3.04 0.00 0.00 177.10 178.02 2jmr n GLN 103 N 4.96 1.72 -3.88 0.43 7.27 -1.26 -3.62 117.38 123.00 2jmr n GLN 103 Ca -0.15 0.62 -0.35 0.00 0.07 0.00 0.00 57.00 57.19 2jmr n GLN 103 Cb 0.50 -2.35 -0.14 0.00 2.41 0.00 0.00 30.24 30.67 2jmr n GLN 103 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2jmr s ILE 104 N 1.19 3.23 0.73 1.69 1.01 -1.10 -5.00 121.20 122.95 2jmr s ILE 104 Ca 0.83 -1.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 2jmr s ILE 104 Cb -0.80 -2.73 0.03 0.00 0.01 0.00 0.00 42.46 38.97 2jmr s ILE 104 CO 0.44 0.04 1.08 -2.16 0.00 0.00 0.00 174.94 174.34 2jmr s PRO 105 N 1.35 2.60 0.54 2.79 0.04 -1.26 -4.81 135.00 136.26 2jmr s PRO 105 Ca -0.01 1.08 -0.06 0.00 0.04 0.00 0.00 61.00 62.04 2jmr s PRO 105 Cb -0.18 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2jmr s PRO 105 CO -0.01 -1.37 0.87 -0.51 0.04 0.00 0.00 177.00 176.01 2jmr s LEU 106 N -5.69 3.41 -1.52 -3.56 1.02 -1.26 -4.56 118.68 106.53 2jmr s LEU 106 Ca 0.60 0.90 -0.14 0.00 0.02 0.00 0.00 54.13 55.51 2jmr s LEU 106 Cb -0.16 -3.81 0.10 0.00 0.02 0.00 0.00 46.19 42.34 2jmr s LEU 106 CO 0.55 -0.82 0.77 0.59 0.02 0.00 0.00 176.35 177.46 2jmr n ASN 107 N -2.46 -4.07 -4.63 2.29 3.02 0.10 -4.95 115.26 104.56 2jmr n ASN 107 Ca 0.03 -0.72 -0.27 0.00 -0.03 0.00 0.00 54.58 53.58 2jmr n ASN 107 Cb 0.56 -3.30 -0.08 0.00 -0.61 0.00 0.00 39.78 36.34 2jmr n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jmr s ALA 108 N -3.18 3.12 0.84 5.41 0.00 -1.26 -5.12 121.76 121.57 2jmr s ALA 108 Ca 0.61 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 2jmr s ALA 108 Cb -0.32 -0.93 0.10 0.00 0.00 0.00 0.00 23.12 21.96 2jmr s ALA 108 CO 0.75 0.51 1.09 -1.25 0.00 0.00 0.00 175.76 176.87 2jmr s PRO 109 N -2.78 1.70 0.00 0.00 0.04 -1.26 -4.89 135.00 127.81 2jmr s PRO 109 Ca 0.26 0.98 0.20 0.00 0.04 0.00 0.00 61.00 62.48 2jmr s PRO 109 Cb -0.10 -1.85 1.08 0.00 0.04 0.00 0.00 34.50 33.68 2jmr s PRO 109 CO 0.17 -1.98 1.59 -1.13 0.04 0.00 0.00 177.00 175.69 2jmr n SER 110 N -3.73 0.00 0.14 6.66 3.41 -1.26 -1.60 113.62 117.24 2jmr n SER 110 Ca 0.08 -0.30 -0.00 0.00 -0.26 0.00 0.00 58.87 58.39 2jmr n SER 110 Cb 0.54 -0.15 0.27 0.00 -0.26 0.00 0.00 64.21 64.61 2jmr n SER 110 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2jmr h SER 111 N 0.00 0.11 0.00 4.04 4.64 -1.97 -3.33 113.55 117.04 2jmr h SER 111 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2jmr h SER 111 Cb 0.09 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2jmr h SER 111 CO 0.00 0.53 0.00 0.00 -0.87 0.00 0.00 176.83 176.49 2jmr n ALA 112 N -2.46 2.18 -3.67 5.18 0.00 -0.63 -4.78 120.51 116.32 2jmr n ALA 112 Ca -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 2jmr n ALA 112 Cb 0.47 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.98 -0.18 0.00 0.00 0.05 -1.25 -4.74 118.68 110.58 2jmr s LEU 113 Ca 0.27 -0.25 0.02 0.00 0.05 0.00 0.00 54.13 54.22 2jmr s LEU 113 Cb 0.12 1.91 -0.01 0.00 -2.05 0.00 0.00 46.19 46.16 2jmr s LEU 113 CO 0.21 -0.67 0.40 -1.54 -0.55 0.00 0.00 176.35 174.19 2jmr n SER 114 N -0.42 -1.07 -0.01 1.48 3.41 -1.26 -4.91 113.62 110.84 2jmr n SER 114 Ca -0.07 -3.02 0.00 0.00 -0.26 0.00 0.00 58.87 55.53 2jmr n SER 114 Cb 0.61 2.15 0.00 0.00 -0.26 0.00 0.00 64.21 66.72 2jmr n SER 114 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 2jmr n TRP 115 N -0.60 0.00 -4.36 7.33 -0.00 -1.26 -4.75 117.44 113.80 2jmr n TRP 115 Ca 0.04 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.34 2jmr n TRP 115 Cb 0.59 0.00 -0.09 0.00 -0.00 0.00 0.00 31.31 31.81 2jmr n TRP 115 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2jmr s THR 116 N -0.65 0.35 -0.58 5.87 -1.32 -1.26 -5.05 115.64 113.00 2jmr s THR 116 Ca 0.00 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.20 2jmr s THR 116 Cb 0.00 -2.49 -0.11 0.00 -1.51 0.00 0.00 72.50 68.39 2jmr s THR 116 CO 0.00 0.00 2.45 0.41 -2.21 0.00 0.00 174.62 175.27 2jmr n THR 117 N -0.63 -0.01 -1.66 5.08 -1.04 -1.26 -4.45 114.28 110.30 2jmr n THR 117 Ca 0.01 -0.53 -0.42 0.00 -2.04 0.00 0.00 64.05 61.06 2jmr n THR 117 Cb 0.65 -2.12 -0.03 0.00 -1.82 0.00 0.00 70.33 67.01 2jmr n THR 117 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2jmr s LEU 118 N 10.72 3.95 0.32 -4.42 0.20 -0.01 -4.95 118.68 124.49 2jmr s LEU 118 Ca 1.09 2.26 -0.27 0.00 0.69 0.00 0.00 54.13 57.89 2jmr s LEU 118 Cb -0.52 -3.52 -0.09 0.00 -0.43 0.00 0.00 46.19 41.63 2jmr s LEU 118 CO 0.35 -1.49 1.09 -0.89 -0.29 0.00 0.00 176.35 175.12 2jmr s THR 119 N 6.29 3.53 0.00 3.68 2.01 -1.26 -4.44 115.64 125.44 2jmr s THR 119 Ca 0.93 1.40 0.00 0.00 0.31 0.00 0.00 61.69 64.34 2jmr s THR 119 Cb -0.37 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.29 2jmr s THR 119 CO 0.38 0.24 0.00 -0.81 -0.69 0.00 0.00 174.62 173.74 2jmr n PRO 120 N 0.73 0.00 -1.26 4.92 -0.04 -1.26 -4.60 135.00 133.49 2jmr n PRO 120 Ca 0.01 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.10 2jmr n PRO 120 Cb 0.46 -0.01 -0.03 0.00 -0.04 0.00 0.00 33.50 33.89 2jmr n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jmr n GLY 121 N 3.40 4.08 3.43 0.55 0.00 -0.92 -4.52 105.19 111.22 2jmr n GLY 121 Ca 0.00 -1.41 -0.16 0.00 0.00 0.00 0.00 46.02 44.45 2jmr n GLY 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jmr s LYS 122 N 2.46 0.90 -0.59 1.61 2.36 -1.26 -4.73 119.74 120.49 2jmr s LYS 122 Ca 0.64 0.18 -0.26 0.00 -2.55 0.00 0.00 55.97 53.97 2jmr s LYS 122 Cb 0.17 0.42 -0.03 0.00 -1.05 0.00 0.00 37.83 37.33 2jmr s LYS 122 CO -0.06 -0.26 1.97 -1.25 1.55 0.00 0.00 175.35 177.31 2jmr s PRO 123 N -1.07 2.51 0.76 4.03 0.04 -1.26 -4.73 135.00 135.27 2jmr s PRO 123 Ca -0.11 0.76 -0.14 0.00 0.04 0.00 0.00 61.00 61.55 2jmr s PRO 123 Cb -0.02 -4.44 0.05 0.00 0.04 0.00 0.00 34.50 30.14 2jmr s PRO 123 CO 0.07 -2.86 1.20 -0.80 0.04 0.00 0.00 177.00 174.66 2jmr s ASN 124 N 8.94 4.00 -0.32 6.66 0.02 -0.41 -4.81 114.94 129.02 2jmr s ASN 124 Ca 0.73 2.35 -0.01 0.00 -1.02 0.00 0.00 52.86 54.92 2jmr s ASN 124 Cb -0.13 -2.59 0.19 0.00 0.02 0.00 0.00 41.25 38.74 2jmr s ASN 124 CO 0.21 -2.39 0.79 -0.89 0.02 0.00 0.00 177.10 174.84 2jmr s THR 125 N -2.05 -0.67 0.24 1.60 2.01 -1.26 -2.48 115.64 113.02 2jmr s THR 125 Ca 0.74 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.44 2jmr s THR 125 Cb -0.29 -0.45 -0.09 0.00 0.01 0.00 0.00 72.50 71.68 2jmr s THR 125 CO 0.47 0.00 0.98 -0.22 -0.69 0.00 0.00 174.62 175.17 2jmr s LEU 126 N 2.56 4.61 -0.49 4.42 2.96 -1.26 -5.02 118.68 126.46 2jmr s LEU 126 Ca 0.17 2.02 -0.27 0.00 -0.22 0.00 0.00 54.13 55.83 2jmr s LEU 126 Cb -0.05 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 2jmr s LEU 126 CO -0.20 0.07 1.90 0.20 -1.32 0.00 0.00 176.35 177.00 2jmr s ASN 127 N -1.01 5.41 0.41 3.68 0.01 -1.26 -4.37 114.94 117.81 2jmr s ASN 127 Ca 0.42 0.79 0.08 0.00 -0.71 0.00 0.00 52.86 53.44 2jmr s ASN 127 Cb -0.27 -2.52 0.01 0.00 0.41 0.00 0.00 41.25 38.87 2jmr s ASN 127 CO 0.34 -2.18 0.55 -0.36 -1.51 0.00 0.00 177.10 173.94 2jmr s PHE 128 N 8.60 2.84 0.13 2.20 0.08 -0.34 -2.45 117.98 129.04 2jmr s PHE 128 Ca 0.75 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.43 2jmr s PHE 128 Cb -0.17 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 39.91 2jmr s PHE 128 CO 0.26 -0.36 -0.01 0.71 -0.10 0.00 0.00 175.22 175.72 2jmr s TYR 129 N -2.34 0.97 0.06 0.36 2.02 -0.45 -1.35 117.35 116.63 2jmr s TYR 129 Ca 0.54 -1.04 -0.06 0.00 -0.37 0.00 0.00 57.07 56.13 2jmr s TYR 129 Cb -0.10 -0.56 -0.01 0.00 -0.40 0.00 0.00 41.96 40.89 2jmr s TYR 129 CO 0.33 -0.28 0.11 0.00 -1.57 0.00 0.00 175.55 174.14 2jmr s ALA 130 N -3.76 -0.01 0.00 3.71 0.00 -0.73 -2.51 121.76 118.45 2jmr s ALA 130 Ca 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2jmr s ALA 130 Cb 0.06 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.55 2jmr s ALA 130 CO -0.00 -0.42 0.00 -2.13 0.00 0.00 0.00 175.76 173.20 2jmr n ARG 131 N 0.22 0.00 -3.62 0.00 3.00 0.35 -1.65 116.66 114.96 2jmr n ARG 131 Ca -0.16 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.49 2jmr n ARG 131 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.06 2jmr n ARG 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jmr s LEU 132 N 0.00 3.98 -0.03 6.15 1.43 -1.26 -0.57 118.68 128.37 2jmr s LEU 132 Ca 0.00 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2jmr s LEU 132 Cb 0.00 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.55 2jmr s LEU 132 CO 0.00 -0.35 -0.05 -0.32 0.23 0.00 0.00 176.35 175.87 2jmr s MET 133 N -4.11 0.70 -0.44 1.70 -2.45 -0.11 -3.82 119.30 110.77 2jmr s MET 133 Ca 0.42 -0.13 -0.27 0.00 -1.25 0.00 0.00 55.69 54.46 2jmr s MET 133 Cb -0.09 -0.71 -0.04 0.00 1.25 0.00 0.00 34.83 35.24 2jmr s MET 133 CO 0.30 -0.02 2.10 0.00 1.05 0.00 0.00 175.02 178.45 2jmr s ALA 134 N 0.61 2.23 -0.35 4.11 0.00 -1.06 -1.88 121.76 125.41 2jmr s ALA 134 Ca -0.08 0.04 0.23 0.00 0.00 0.00 0.00 51.96 52.15 2jmr s ALA 134 Cb -0.11 -4.22 0.20 0.00 0.00 0.00 0.00 23.12 18.99 2jmr s ALA 134 CO 0.00 -3.63 1.38 1.79 0.00 0.00 0.00 175.76 175.30 2jmr h THR 135 N 7.20 0.03 -3.71 0.00 1.35 -1.14 -3.38 112.91 113.26 2jmr h THR 135 Ca -0.30 -1.04 -0.25 0.00 -0.55 0.00 0.00 66.41 64.27 2jmr h THR 135 Cb 1.21 1.82 -0.06 0.00 -1.73 0.00 0.00 68.15 69.39 2jmr h THR 135 CO 1.11 0.02 -0.17 0.00 -0.25 0.00 0.00 175.52 176.23 2jmr n GLN 136 N -2.94 0.50 -2.51 4.72 1.13 -0.73 -4.76 117.38 112.78 2jmr n GLN 136 Ca 0.02 -2.26 -0.32 0.00 -1.94 0.00 0.00 57.00 52.50 2jmr n GLN 136 Cb 0.55 2.10 0.00 0.00 0.11 0.00 0.00 30.24 33.00 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 -0.46 3.38 0.16 5.09 0.31 -1.25 -4.74 118.33 120.83 2jmr n VAL 137 Ca 0.02 -5.13 0.09 0.00 -0.01 0.00 0.00 64.34 59.30 2jmr n VAL 137 Cb 0.46 -1.34 0.08 0.00 -0.91 0.00 0.00 33.84 32.13 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 3.02 0.00 -6.63 5.55 0.13 -1.87 -3.49 132.00 128.72 2jmr h PRO 138 Ca 0.35 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 65.02 2jmr h PRO 138 Cb 0.53 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 2jmr h PRO 138 CO 1.02 0.13 -1.00 1.33 -0.23 0.00 0.00 178.00 179.24 2jmr n VAL 139 N -3.02 -2.86 -3.77 1.56 0.24 -1.26 -5.00 118.33 104.21 2jmr n VAL 139 Ca 0.02 -0.04 -0.25 0.00 -2.04 0.00 0.00 64.34 62.03 2jmr n VAL 139 Cb 0.60 -2.54 -0.17 0.00 -1.47 0.00 0.00 33.84 30.26 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 -2.93 0.48 1.22 3.34 2.01 -1.26 -5.01 115.64 113.48 2jmr s THR 140 Ca 0.02 -0.14 -0.14 0.00 0.31 0.00 0.00 61.69 61.75 2jmr s THR 140 Cb -0.01 -0.74 0.31 0.00 0.01 0.00 0.00 72.50 72.06 2jmr s THR 140 CO 0.81 0.12 1.01 0.00 -0.69 0.00 0.00 174.62 175.87 2jmr s ALA 141 N 1.91 -0.68 0.00 7.40 0.00 -1.26 -4.07 121.76 125.06 2jmr s ALA 141 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2jmr s ALA 141 Cb -0.14 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2jmr s ALA 141 CO -0.06 -4.05 0.00 0.41 0.00 0.00 0.00 175.76 172.06 2jmr n GLY 142 N 0.94 -2.25 0.00 0.00 0.00 -1.26 -4.48 105.19 98.14 2jmr n GLY 142 Ca 0.04 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.84 2jmr n GLY 142 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2jmr n HIS 143 N -0.23 0.00 -3.97 1.61 1.44 -1.01 -4.73 115.22 108.33 2jmr n HIS 143 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 2jmr n HIS 143 Cb 0.00 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 29.97 2jmr n HIS 143 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2jmr s ILE 144 N -2.00 3.54 -0.30 0.61 -1.09 -0.13 -3.80 121.20 118.04 2jmr s ILE 144 Ca 0.00 -0.44 -0.13 0.00 -2.23 0.00 0.00 60.65 57.85 2jmr s ILE 144 Cb 0.00 -2.61 0.14 0.00 -1.58 0.00 0.00 42.46 38.41 2jmr s ILE 144 CO 0.00 0.42 0.80 0.20 -1.23 0.00 0.00 174.94 175.13 2jmr s ASN 145 N 1.35 -0.87 0.31 3.58 0.01 -1.23 -2.73 114.94 115.35 2jmr s ASN 145 Ca 0.04 1.23 -0.09 0.00 -0.71 0.00 0.00 52.86 53.34 2jmr s ASN 145 Cb -0.14 1.89 0.01 0.00 0.41 0.00 0.00 41.25 43.41 2jmr s ASN 145 CO -0.01 -0.18 0.53 0.00 -1.51 0.00 0.00 177.10 175.93 2jmr s ALA 146 N 2.47 0.12 -0.21 0.60 0.00 -1.21 -0.78 121.76 122.75 2jmr s ALA 146 Ca -0.05 -1.14 -0.15 0.00 0.00 0.00 0.00 51.96 50.62 2jmr s ALA 146 Cb -0.08 1.04 0.06 0.00 0.00 0.00 0.00 23.12 24.14 2jmr s ALA 146 CO -0.18 -0.85 0.53 -0.08 0.00 0.00 0.00 175.76 175.18 2jmr s THR 147 N -3.33 -0.01 0.30 0.00 -1.32 -1.26 -3.88 115.64 106.15 2jmr s THR 147 Ca 0.25 0.03 -0.12 0.00 -1.21 0.00 0.00 61.69 60.64 2jmr s THR 147 Cb -0.01 -0.76 0.01 0.00 -1.51 0.00 0.00 72.50 70.23 2jmr s THR 147 CO 0.14 0.01 0.56 0.00 -2.21 0.00 0.00 174.62 173.13 2jmr s ALA 148 N 0.98 -0.19 0.06 11.08 0.00 -1.16 -4.30 121.76 128.23 2jmr s ALA 148 Ca -0.06 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.03 2jmr s ALA 148 Cb -0.06 0.99 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 2jmr s ALA 148 CO -0.09 -0.89 -0.20 0.95 0.00 0.00 0.00 175.76 175.54 2jmr s THR 149 N -3.44 2.68 -0.74 0.00 -4.23 0.03 -0.31 115.64 109.63 2jmr s THR 149 Ca 0.22 -1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 59.37 2jmr s THR 149 Cb -0.02 -2.14 0.19 0.00 1.34 0.00 0.00 72.50 71.87 2jmr s THR 149 CO 0.12 0.28 0.59 0.72 -0.54 0.00 0.00 174.62 175.79 2jmr s PHE 150 N -0.96 3.59 -0.54 3.99 -0.71 -0.77 -1.59 117.98 120.99 2jmr s PHE 150 Ca 0.15 -2.70 -0.27 0.00 -1.04 0.00 0.00 56.93 53.06 2jmr s PHE 150 Cb -0.10 -3.31 0.03 0.00 -1.21 0.00 0.00 43.02 38.43 2jmr s PHE 150 CO 0.06 -0.83 1.10 0.95 -1.34 0.00 0.00 175.22 175.15 2jmr s THR 151 N -0.41 4.18 0.41 -4.49 -4.23 0.33 -4.76 115.64 106.68 2jmr s THR 151 Ca 0.20 0.82 -0.22 0.00 -1.18 0.00 0.00 61.69 61.31 2jmr s THR 151 Cb -0.15 -4.63 -0.10 0.00 1.34 0.00 0.00 72.50 68.95 2jmr s THR 151 CO -0.07 -1.18 0.97 -0.76 -0.54 0.00 0.00 174.62 173.04 2jmr s LEU 152 N 4.52 4.04 -0.50 4.79 2.01 -1.26 -0.94 118.68 131.34 2jmr s LEU 152 Ca 0.41 1.78 0.03 0.00 0.01 0.00 0.00 54.13 56.36 2jmr s LEU 152 Cb -0.09 -4.39 0.15 0.00 0.01 0.00 0.00 46.19 41.87 2jmr s LEU 152 CO 0.26 -0.35 0.32 -1.61 1.01 0.00 0.00 176.35 175.98 2jmr s GLU 153 N -2.87 1.53 1.08 1.70 0.41 -0.05 -4.62 118.70 115.87 2jmr s GLU 153 Ca 0.60 -2.38 -0.12 0.00 -0.41 0.00 0.00 54.97 52.66 2jmr s GLU 153 Cb -0.13 -2.45 0.23 0.00 -1.78 0.00 0.00 34.13 30.00 2jmr s GLU 153 CO 0.17 -1.24 1.05 0.66 -0.49 0.00 0.00 175.26 175.42 2jmr n TYR 154 N 3.00 -0.47 -2.09 1.61 4.01 -1.26 -0.32 117.16 121.64 2jmr n TYR 154 Ca 0.16 0.06 -0.40 0.00 -0.16 0.00 0.00 57.90 57.55 2jmr n TYR 154 Cb 0.37 -1.81 -0.02 0.00 -0.31 0.00 0.00 39.34 37.57 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 -4.47 4.27 -0.24 -0.72 2.00 -1.11 -4.66 119.66 114.74 2jmr s GLN 155 Ca 0.68 2.23 -0.28 0.00 -2.00 0.00 0.00 55.36 55.99 2jmr s GLN 155 Cb -0.24 -3.01 -0.05 0.00 0.80 0.00 0.00 33.01 30.51 2jmr s GLN 155 CO 0.63 -0.26 2.21 0.34 -0.50 0.00 0.00 175.29 177.70 2jmr s ASP 156 N -0.51 5.42 0.00 6.67 2.15 -1.26 -4.86 116.67 124.28 2jmr s ASP 156 Ca 0.50 1.81 0.30 0.00 0.43 0.00 0.00 52.55 55.60 2jmr s ASP 156 Cb -0.40 -2.51 1.52 0.00 -0.30 0.00 0.00 42.92 41.23 2jmr s ASP 156 CO 0.53 -2.00 2.01 0.59 -0.17 0.00 0.00 175.17 176.13 2jmr n ASN 157 N 11.86 0.52 -4.03 -0.34 5.03 -1.26 -4.95 115.26 122.10 2jmr n ASN 157 Ca 0.30 -1.03 -0.35 0.00 0.87 0.00 0.00 54.58 54.36 2jmr n ASN 157 Cb 0.46 -0.02 -0.01 0.00 -1.02 0.00 0.00 39.78 39.18 2jmr n ASN 157 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2jmr n HIS 158 N -0.66 -1.10 -1.88 3.10 8.25 -1.26 -4.96 115.22 116.70 2jmr n HIS 158 Ca 0.20 0.18 -0.33 0.00 -0.26 0.00 0.00 57.72 57.51 2jmr n HIS 158 Cb 0.22 -2.29 0.03 0.00 1.12 0.00 0.00 29.99 29.06 2jmr n HIS 158 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jmr s HIS 159 N -3.89 2.79 0.02 4.41 3.76 -1.26 -5.01 115.29 116.10 2jmr s HIS 159 Ca 0.29 1.53 -0.17 0.00 -0.15 0.00 0.00 55.06 56.56 2jmr s HIS 159 Cb -0.16 -3.10 -0.09 0.00 1.11 0.00 0.00 32.58 30.34 2jmr s HIS 159 CO 0.82 -1.44 1.11 0.45 -0.85 0.00 0.00 174.74 174.83 2jmr h HIS 160 N 0.20 -0.56 -3.46 1.40 3.86 -2.07 -3.45 115.15 111.07 2jmr h HIS 160 Ca -0.47 -0.01 -0.66 0.00 -1.16 0.00 0.00 60.37 58.07 2jmr h HIS 160 Cb 1.23 0.18 -0.14 0.00 1.06 0.00 0.00 27.41 29.75 2jmr h HIS 160 CO 0.56 -0.35 -0.68 -1.58 0.86 0.00 0.00 177.93 176.74 2jmr s HIS 161 N -4.07 2.94 0.01 2.45 5.65 -1.26 -5.13 115.29 115.87 2jmr s HIS 161 Ca -0.09 -0.03 0.00 0.00 0.25 0.00 0.00 55.06 55.19 2jmr s HIS 161 Cb 0.01 -1.57 -0.00 0.00 -1.18 0.00 0.00 32.58 29.84 2jmr s HIS 161 CO 0.26 0.44 0.01 1.58 -0.65 0.00 0.00 174.74 176.38 2jmr n HIS 162 N 1.04 -0.05 0.00 3.88 -0.00 -1.26 -5.10 115.22 113.72 2jmr n HIS 162 Ca -0.13 -0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 2jmr n HIS 162 Cb 0.52 0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 2jmr n HIS 162 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jmr n HIS 163 N -0.01 -0.31 -3.83 1.57 -0.00 -1.26 -5.13 115.22 106.25 2jmr n HIS 163 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 2jmr n HIS 163 Cb 0.01 0.06 -0.07 0.00 -0.00 0.00 0.00 29.99 29.99 2jmr n HIS 163 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 2jmr s LYS 164 N -1.25 0.84 0.10 1.57 0.00 -1.26 -5.06 119.74 114.68 2jmr s LYS 164 Ca 0.00 -0.85 -0.22 0.00 0.00 0.00 0.00 55.97 54.90 2jmr s LYS 164 Cb 0.00 0.35 -0.12 0.00 0.00 0.00 0.00 37.83 38.05 2jmr s LYS 164 CO 0.00 -0.27 1.75 0.37 0.00 0.00 0.00 175.35 177.20 2jmr h GLN 165 N 2.86 0.09 0.00 1.78 -0.00 -1.94 -3.48 115.11 114.42 2jmr h GLN 165 Ca -0.34 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.33 2jmr h GLN 165 Cb 1.20 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.66 2jmr h GLN 165 CO 0.53 0.07 0.07 0.00 0.00 0.00 0.00 178.83 179.50 2jmr n ALA 166 N -2.11 -0.35 -3.01 3.38 0.00 -1.26 -5.06 120.51 112.09 2jmr n ALA 166 Ca -0.06 -0.15 -0.27 0.00 0.00 0.00 0.00 53.44 52.97 2jmr n ALA 166 Cb 0.03 0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.74 4.35 -4.52 0.00 2.03 -1.26 -4.93 116.55 111.48 2jmr n ASP 167 Ca -0.00 -3.65 -0.43 0.00 0.52 0.00 0.00 54.79 51.22 2jmr n ASP 167 Cb 0.08 -0.58 -0.00 0.00 -0.72 0.00 0.00 41.12 39.90 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 -3.32 6.95 0.79 1.67 1.04 -1.26 -4.71 113.70 114.85 2jmr s SER 168 Ca 0.48 -2.70 -0.12 0.00 0.48 0.00 0.00 55.95 54.09 2jmr s SER 168 Cb 0.26 -2.48 0.07 0.00 0.10 0.00 0.00 66.02 63.97 2jmr s SER 168 CO -0.12 -0.95 1.12 -0.89 0.98 0.00 0.00 173.24 173.38 2jmr s THR 169 N 2.82 2.87 -0.11 2.02 2.01 -1.26 -1.85 115.64 122.14 2jmr s THR 169 Ca 0.47 0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.81 2jmr s THR 169 Cb 0.00 -2.70 0.01 0.00 0.01 0.00 0.00 72.50 69.83 2jmr s THR 169 CO 0.03 -0.33 -0.16 -0.51 -0.69 0.00 0.00 174.62 172.95 2jmr s ILE 170 N -2.64 1.57 -0.37 1.82 -1.16 0.57 -2.13 121.20 118.85 2jmr s ILE 170 Ca 0.65 -0.69 0.01 0.00 -0.51 0.00 0.00 60.65 60.11 2jmr s ILE 170 Cb -0.20 -1.43 0.12 0.00 0.61 0.00 0.00 42.46 41.56 2jmr s ILE 170 CO 0.53 0.45 0.17 -0.89 -2.81 0.00 0.00 174.94 172.39 2jmr s THR 171 N 0.97 1.13 0.04 4.00 2.01 -1.24 -2.97 115.64 119.58 2jmr s THR 171 Ca -0.07 -1.99 -0.28 0.00 0.31 0.00 0.00 61.69 59.66 2jmr s THR 171 Cb -0.15 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 2jmr s THR 171 CO -0.02 -0.80 0.89 -0.63 -0.69 0.00 0.00 174.62 173.37 2jmr s ILE 172 N 0.97 4.72 0.35 1.82 1.01 -1.25 -1.11 121.20 127.71 2jmr s ILE 172 Ca 0.14 1.88 0.08 0.00 0.00 0.00 0.00 60.65 62.75 2jmr s ILE 172 Cb -0.21 -4.24 -0.07 0.00 0.01 0.00 0.00 42.46 37.95 2jmr s ILE 172 CO -0.11 0.28 -0.05 -0.13 0.00 0.00 0.00 174.94 174.93 2jmr s ARG 173 N 0.34 1.81 0.00 2.79 1.81 0.38 -3.35 118.95 122.72 2jmr s ARG 173 Ca 0.45 -1.96 0.00 0.00 -1.72 0.00 0.00 55.73 52.50 2jmr s ARG 173 Cb -0.21 -1.56 0.00 0.00 -0.45 0.00 0.00 34.95 32.73 2jmr s ARG 173 CO 0.26 0.05 0.00 0.41 -0.68 0.00 0.00 175.30 175.34 2jmr n GLY 174 N -0.81 -1.03 3.33 -3.53 0.00 -1.11 -1.38 105.19 100.67 2jmr n GLY 174 Ca -0.05 -1.37 -0.19 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.72 1.60 -0.13 1.61 5.04 -1.16 -0.96 117.35 120.63 2jmr s TYR 175 Ca 0.00 -1.38 -0.01 0.00 -2.44 0.00 0.00 57.07 53.24 2jmr s TYR 175 Cb 0.00 -0.85 0.03 0.00 0.35 0.00 0.00 41.96 41.50 2jmr s TYR 175 CO 0.00 -0.54 -0.03 0.08 -1.34 0.00 0.00 175.55 173.72 2jmr s VAL 176 N -3.60 0.80 0.08 3.14 1.01 -1.26 -3.66 120.40 116.90 2jmr s VAL 176 Ca 0.36 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 2jmr s VAL 176 Cb 0.05 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 2jmr s VAL 176 CO 0.18 0.20 1.01 -0.13 0.00 0.00 0.00 175.10 176.36 2jmr s ARG 177 N 1.78 4.61 0.43 2.72 1.81 -1.26 -4.35 118.95 124.70 2jmr s ARG 177 Ca 0.03 1.51 0.28 0.00 -1.72 0.00 0.00 55.73 55.83 2jmr s ARG 177 Cb -0.14 -3.39 0.93 0.00 -0.45 0.00 0.00 34.95 31.90 2jmr s ARG 177 CO -0.07 0.06 1.80 0.38 -0.68 0.00 0.00 175.30 176.79 2jmr h ASP 178 N 6.03 0.00 0.00 0.23 2.03 -1.95 0.49 116.42 123.25 2jmr h ASP 178 Ca -0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 2jmr h ASP 178 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 2jmr h ASP 178 CO 0.74 0.00 0.00 -3.20 -1.03 0.00 0.00 179.24 175.75