#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 -0.91 -0.08 3.17 0.00 -1.26 -5.16 121.76 117.52 2jmr s ALA 2 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.94 2jmr s ALA 2 Cb 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 2jmr s ALA 2 CO 0.00 -0.63 -0.15 -0.51 0.00 0.00 0.00 175.76 174.47 2jmr s ASP 3 N -2.75 3.89 0.00 0.00 1.01 -1.26 -4.87 116.67 112.69 2jmr s ASP 3 Ca 0.02 -0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.01 2jmr s ASP 3 Cb 0.02 -1.08 0.00 0.00 1.01 0.00 0.00 42.92 42.87 2jmr s ASP 3 CO -0.11 0.28 0.00 -1.54 0.21 0.00 0.00 175.17 174.00 2jmr n SER 4 N 2.77 0.00 -4.71 0.27 3.41 -1.26 -5.13 113.62 108.96 2jmr n SER 4 Ca -0.17 -0.96 -0.42 0.00 -0.26 0.00 0.00 58.87 57.05 2jmr n SER 4 Cb 0.52 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 2jmr n SER 4 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2jmr s THR 5 N -2.78 4.05 0.08 6.66 2.01 -1.26 -4.93 115.64 119.46 2jmr s THR 5 Ca 0.00 1.45 -0.00 0.00 0.31 0.00 0.00 61.69 63.45 2jmr s THR 5 Cb 0.00 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.58 2jmr s THR 5 CO 0.00 0.09 0.11 2.30 -0.69 0.00 0.00 174.62 176.42 2jmr n ILE 6 N 4.08 0.00 -2.70 1.82 -6.64 -1.26 -5.10 119.36 109.57 2jmr n ILE 6 Ca 0.09 -0.40 -0.42 0.00 -1.77 0.00 0.00 62.75 60.26 2jmr n ILE 6 Cb 0.46 0.24 -0.03 0.00 -1.44 0.00 0.00 39.64 38.87 2jmr n ILE 6 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 2jmr s THR 7 N -2.50 4.12 0.00 7.28 2.01 -0.86 -4.88 115.64 120.81 2jmr s THR 7 Ca 0.07 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.52 2jmr s THR 7 Cb -0.00 -4.89 0.00 0.00 0.01 0.00 0.00 72.50 67.62 2jmr s THR 7 CO 0.05 -1.73 0.18 -0.38 -0.69 0.00 0.00 174.62 172.04 2jmr n ILE 8 N 6.27 0.00 -3.35 1.82 -0.00 -1.26 -4.10 119.36 118.73 2jmr n ILE 8 Ca 0.16 0.40 -0.31 0.00 -0.00 0.00 0.00 62.75 63.00 2jmr n ILE 8 Cb 0.49 -0.85 0.03 0.00 -0.00 0.00 0.00 39.64 39.31 2jmr n ILE 8 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2jmr n ARG 9 N -0.84 -2.03 -0.54 0.38 3.00 -1.26 -4.80 116.66 110.57 2jmr n ARG 9 Ca 0.00 1.58 0.01 0.00 -0.01 0.00 0.00 57.85 59.43 2jmr n ARG 9 Cb 0.00 -2.99 -0.00 0.00 0.00 0.00 0.00 32.46 29.47 2jmr n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jmr n GLY 10 N -0.27 -3.20 2.70 -0.13 0.00 -1.26 -5.00 105.19 98.02 2jmr n GLY 10 Ca -0.04 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 2jmr n GLY 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jmr s TYR 11 N -4.39 -0.17 -0.24 1.61 5.04 -1.26 -4.69 117.35 113.26 2jmr s TYR 11 Ca 0.00 -0.12 0.08 0.00 -2.44 0.00 0.00 57.07 54.58 2jmr s TYR 11 Cb 0.00 -0.52 -0.20 0.00 0.35 0.00 0.00 41.96 41.60 2jmr s TYR 11 CO 0.00 -0.71 -0.12 1.33 -1.34 0.00 0.00 175.55 174.71 2jmr n VAL 12 N 5.30 1.44 -3.84 3.14 0.24 -1.26 -5.00 118.33 118.35 2jmr n VAL 12 Ca -0.05 -0.67 -0.10 0.00 -2.04 0.00 0.00 64.34 61.48 2jmr n VAL 12 Cb 0.47 -1.07 -0.08 0.00 -1.47 0.00 0.00 33.84 31.69 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 -2.50 0.72 -0.01 7.34 3.00 -1.26 -5.10 118.95 121.13 2jmr s ARG 13 Ca -0.26 -0.65 -0.04 0.00 -1.00 0.00 0.00 55.73 53.79 2jmr s ARG 13 Cb 0.08 0.30 -0.01 0.00 0.00 0.00 0.00 34.95 35.31 2jmr s ARG 13 CO 0.68 -0.21 -0.08 -0.40 0.00 0.00 0.00 175.30 175.28 2jmr n ASP 14 N 0.61 0.80 -4.29 -2.12 5.68 -1.26 -1.92 116.55 114.05 2jmr n ASP 14 Ca -0.18 0.12 -0.41 0.00 -0.50 0.00 0.00 54.79 53.82 2jmr n ASP 14 Cb 0.59 -0.38 -0.01 0.00 -1.14 0.00 0.00 41.12 40.19 2jmr n ASP 14 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2jmr n ASN 15 N -3.27 4.27 0.00 -1.12 5.03 -1.26 -3.95 115.26 114.96 2jmr n ASN 15 Ca -0.03 -2.86 0.00 0.00 0.87 0.00 0.00 54.58 52.56 2jmr n ASN 15 Cb 0.12 -1.68 0.00 0.00 -1.02 0.00 0.00 39.78 37.20 2jmr n ASN 15 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jmr n GLY 16 N 5.04 3.54 3.72 7.41 0.00 -1.26 -4.80 105.19 118.83 2jmr n GLY 16 Ca 0.49 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2jmr n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr s SER 18 N 0.74 6.44 0.32 0.00 0.01 -0.25 -4.89 113.70 116.08 2jmr s SER 18 Ca 0.57 2.93 -0.28 0.00 1.31 0.00 0.00 55.95 60.48 2jmr s SER 18 Cb -0.31 -2.65 -0.10 0.00 0.21 0.00 0.00 66.02 63.18 2jmr s SER 18 CO 0.32 -0.82 1.17 -0.69 0.41 0.00 0.00 173.24 173.62 2jmr s VAL 19 N -0.62 3.20 0.49 3.43 1.01 -1.26 -1.78 120.40 124.86 2jmr s VAL 19 Ca 0.56 1.16 -0.22 0.00 0.00 0.00 0.00 61.98 63.48 2jmr s VAL 19 Cb -0.45 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 2jmr s VAL 19 CO 0.55 0.24 1.17 0.00 0.00 0.00 0.00 175.10 177.05 2jmr s ALA 20 N -1.22 2.87 0.21 5.51 0.00 -1.14 -4.76 121.76 123.23 2jmr s ALA 20 Ca 0.49 0.93 -0.09 0.00 0.00 0.00 0.00 51.96 53.28 2jmr s ALA 20 Cb -0.34 -3.39 0.22 0.00 0.00 0.00 0.00 23.12 19.61 2jmr s ALA 20 CO 0.44 -0.75 1.84 0.00 0.00 0.00 0.00 175.76 177.28 2jmr h ALA 21 N 1.73 0.93 0.00 0.00 0.00 -1.92 -0.51 119.26 119.49 2jmr h ALA 21 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2jmr h ALA 21 Cb 1.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jmr h ALA 21 CO 0.59 0.17 0.00 -0.85 0.00 0.00 0.00 179.25 179.16 2jmr n GLU 22 N -4.70 0.33 0.00 0.00 0.28 -1.26 -1.91 120.64 113.39 2jmr n GLU 22 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 2jmr n GLU 22 Cb 0.12 -1.02 0.00 0.00 1.43 0.00 0.00 31.44 31.97 2jmr n GLU 22 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2jmr n SER 23 N -0.39 2.95 -0.13 -1.84 2.88 -0.32 -4.71 113.62 112.05 2jmr n SER 23 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2jmr n SER 23 Cb 0.01 0.36 -0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2jmr n SER 23 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2jmr h THR 24 N 0.00 1.27 -1.94 2.46 2.02 -0.52 -3.40 112.91 112.79 2jmr h THR 24 Ca 0.00 -1.48 -0.29 0.00 0.77 0.00 0.00 66.41 65.41 2jmr h THR 24 Cb 0.46 1.26 -0.31 0.00 -1.74 0.00 0.00 68.15 67.83 2jmr h THR 24 CO 0.00 0.50 -0.62 0.54 0.37 0.00 0.00 175.52 176.31 2jmr s ASN 25 N -6.79 1.11 0.26 4.18 2.20 -1.17 -0.65 114.94 114.08 2jmr s ASN 25 Ca -0.11 -0.87 0.01 0.00 -0.94 0.00 0.00 52.86 50.95 2jmr s ASN 25 Cb 0.12 0.72 -0.03 0.00 -2.00 0.00 0.00 41.25 40.06 2jmr s ASN 25 CO 0.88 -0.34 0.23 0.72 -2.94 0.00 0.00 177.10 175.65 2jmr s PHE 26 N 2.16 1.32 -0.02 1.54 -0.71 -1.25 -4.78 117.98 116.24 2jmr s PHE 26 Ca 0.12 -1.44 0.05 0.00 -1.04 0.00 0.00 56.93 54.62 2jmr s PHE 26 Cb -0.14 -0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 41.13 2jmr s PHE 26 CO -0.24 -0.79 -0.17 0.99 -1.34 0.00 0.00 175.22 173.68 2jmr s THR 27 N -3.80 1.34 -0.34 -4.49 2.01 -1.26 -3.97 115.64 105.12 2jmr s THR 27 Ca 0.38 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.67 2jmr s THR 27 Cb 0.04 -1.12 0.11 0.00 0.01 0.00 0.00 72.50 71.54 2jmr s THR 27 CO 0.18 0.38 0.11 -0.69 -0.69 0.00 0.00 174.62 173.91 2jmr s VAL 28 N -0.35 1.35 0.27 3.82 1.01 -1.17 -5.03 120.40 120.31 2jmr s VAL 28 Ca 0.05 -1.87 -0.29 0.00 0.00 0.00 0.00 61.98 59.88 2jmr s VAL 28 Cb -0.07 -2.00 -0.09 0.00 0.00 0.00 0.00 36.38 34.22 2jmr s VAL 28 CO -0.00 -0.70 0.96 1.51 0.00 0.00 0.00 175.10 176.87 2jmr s ASP 29 N 1.19 7.49 -0.01 3.32 -4.77 -1.26 -0.67 116.67 121.96 2jmr s ASP 29 Ca 0.12 1.95 -0.03 0.00 -3.30 0.00 0.00 52.55 51.28 2jmr s ASP 29 Cb -0.19 -2.60 -0.01 0.00 -1.09 0.00 0.00 42.92 39.03 2jmr s ASP 29 CO -0.16 0.04 -0.07 0.18 0.70 0.00 0.00 175.17 175.86 2jmr n LEU 30 N 1.14 0.65 0.00 2.11 4.77 -1.26 -4.97 117.00 119.44 2jmr n LEU 30 Ca -0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2jmr n LEU 30 Cb 0.48 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2jmr n LEU 30 CO 0.49 -0.52 0.00 0.23 -1.33 0.00 0.00 177.39 176.26 2jmr n MET 31 N -3.12 -1.73 -3.04 3.23 2.81 -1.26 -5.01 117.12 108.99 2jmr n MET 31 Ca -0.03 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.43 2jmr n MET 31 Cb 0.10 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.56 2jmr n MET 31 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2jmr s GLU 32 N -2.00 3.17 1.12 0.03 2.02 -1.26 -4.13 118.70 117.64 2jmr s GLU 32 Ca 0.00 -0.77 -0.15 0.00 0.02 0.00 0.00 54.97 54.07 2jmr s GLU 32 Cb 0.00 -4.12 0.18 0.00 0.10 0.00 0.00 34.13 30.29 2jmr s GLU 32 CO 0.00 -1.38 0.53 0.09 0.02 0.00 0.00 175.26 174.52 2jmr n ASN 33 N 6.67 -1.92 -4.14 -0.19 4.13 0.62 -4.88 115.26 115.55 2jmr n ASN 33 Ca -0.04 -0.06 -0.21 0.00 1.68 0.00 0.00 54.58 55.94 2jmr n ASN 33 Cb 0.46 -1.14 -0.14 0.00 -1.54 0.00 0.00 39.78 37.42 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 -2.34 1.19 0.11 5.41 0.00 -1.26 -1.10 121.76 123.77 2jmr s ALA 34 Ca 0.62 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 51.62 2jmr s ALA 34 Cb -0.19 -0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.64 2jmr s ALA 34 CO 0.65 0.25 1.70 0.00 0.00 0.00 0.00 175.76 178.37 2jmr h ALA 35 N 5.20 0.30 0.00 0.00 0.00 -0.67 -3.35 119.26 120.74 2jmr h ALA 35 Ca -0.37 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2jmr h ALA 35 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2jmr h ALA 35 CO 0.45 -0.16 -0.23 0.87 0.00 0.00 0.00 179.25 180.19 2jmr h LYS 36 N 0.26 0.00 -0.27 0.00 1.57 -1.79 -2.79 116.57 113.56 2jmr h LYS 36 Ca 0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2jmr h LYS 36 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2jmr h LYS 36 CO -0.01 0.23 -0.01 -0.56 -0.57 0.00 0.00 179.45 178.52 2jmr h GLN 37 N 0.00 0.40 -4.28 3.15 3.07 -1.95 -3.38 115.11 112.11 2jmr h GLN 37 Ca -0.00 -0.08 -0.72 0.00 0.09 0.00 0.00 58.65 57.94 2jmr h GLN 37 Cb 0.75 -0.06 -0.08 0.00 0.08 0.00 0.00 27.48 28.16 2jmr h GLN 37 CO 0.03 0.44 2.57 1.19 0.09 0.00 0.00 178.83 183.15 2jmr n PHE 38 N -4.31 3.72 -1.07 0.06 3.72 -1.05 -4.63 117.46 113.89 2jmr n PHE 38 Ca 0.01 -2.94 0.10 0.00 -0.05 0.00 0.00 57.45 54.56 2jmr n PHE 38 Cb 0.22 -2.40 0.16 0.00 -0.94 0.00 0.00 39.48 36.52 2jmr n PHE 38 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2jmr n ASN 39 N 5.96 2.61 -3.65 4.37 0.23 -1.26 -4.34 115.26 119.19 2jmr n ASN 39 Ca 0.47 -3.10 -0.00 0.00 -0.53 0.00 0.00 54.58 51.42 2jmr n ASN 39 Cb 0.40 -0.45 -0.00 0.00 -2.08 0.00 0.00 39.78 37.64 2jmr n ASN 39 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2jmr s ASN 40 N -2.72 -0.08 0.00 0.53 2.20 -1.26 -4.93 114.94 108.68 2jmr s ASN 40 Ca 0.34 -0.28 0.27 0.00 -0.94 0.00 0.00 52.86 52.25 2jmr s ASN 40 Cb 0.29 0.29 0.83 0.00 -2.00 0.00 0.00 41.25 40.66 2jmr s ASN 40 CO 0.04 -0.55 1.63 -0.38 -2.94 0.00 0.00 177.10 174.90 2jmr n ILE 41 N -0.55 0.00 0.29 0.54 -0.00 -1.26 -2.87 119.36 115.50 2jmr n ILE 41 Ca -0.06 -0.02 0.15 0.00 -0.00 0.00 0.00 62.75 62.83 2jmr n ILE 41 Cb 0.61 -0.00 0.54 0.00 -0.00 0.00 0.00 39.64 40.79 2jmr n ILE 41 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 2jmr h GLY 42 N 4.99 0.00 -7.40 7.39 0.00 -1.98 -3.44 103.07 102.63 2jmr h GLY 42 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2jmr h GLY 42 CO 0.00 0.00 0.42 0.00 0.00 0.00 0.00 176.54 176.96 2jmr s ALA 43 N -3.51 0.92 -0.29 3.60 0.00 -1.14 -4.90 121.76 116.45 2jmr s ALA 43 Ca 0.03 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 2jmr s ALA 43 Cb 0.08 -4.52 0.02 0.00 0.00 0.00 0.00 23.12 18.70 2jmr s ALA 43 CO 0.56 -5.57 0.04 0.95 0.00 0.00 0.00 175.76 171.75 2jmr s THR 44 N 14.16 3.63 1.03 0.00 -4.23 -1.26 -1.93 115.64 127.04 2jmr s THR 44 Ca 0.94 -0.85 -0.14 0.00 -1.18 0.00 0.00 61.69 60.45 2jmr s THR 44 Cb -0.14 -2.89 0.20 0.00 1.34 0.00 0.00 72.50 71.01 2jmr s THR 44 CO 0.12 0.07 1.12 0.42 -0.54 0.00 0.00 174.62 175.82 2jmr s THR 45 N 1.43 1.90 -0.29 3.99 -4.23 -1.15 -4.93 115.64 112.37 2jmr s THR 45 Ca 0.01 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.24 2jmr s THR 45 Cb -0.17 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.06 2jmr s THR 45 CO 0.01 0.00 1.83 -2.16 -0.54 0.00 0.00 174.62 173.75 2jmr s PRO 46 N -5.20 3.40 0.78 3.99 0.04 -1.26 -4.92 135.00 131.83 2jmr s PRO 46 Ca 0.67 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 63.14 2jmr s PRO 46 Cb -0.15 -4.19 0.07 0.00 0.04 0.00 0.00 34.50 30.27 2jmr s PRO 46 CO 0.56 -1.78 1.18 0.14 0.04 0.00 0.00 177.00 177.14 2jmr s VAL 47 N 6.75 2.34 -0.05 -0.36 -7.23 -1.26 -4.91 120.40 115.68 2jmr s VAL 47 Ca 0.81 0.15 0.03 0.00 -1.81 0.00 0.00 61.98 61.16 2jmr s VAL 47 Cb -0.25 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 2jmr s VAL 47 CO 0.34 -0.11 -0.11 0.54 -0.31 0.00 0.00 175.10 175.45 2jmr s VAL 48 N -2.23 3.33 0.10 1.32 0.11 -0.56 -4.94 120.40 117.53 2jmr s VAL 48 Ca 0.71 -0.64 -0.31 0.00 -2.93 0.00 0.00 61.98 58.82 2jmr s VAL 48 Cb -0.26 -2.33 -0.08 0.00 -1.53 0.00 0.00 36.38 32.17 2jmr s VAL 48 CO 0.49 0.59 1.45 -2.16 -3.33 0.00 0.00 175.10 172.14 2jmr s PRO 49 N -0.79 4.28 0.07 1.54 0.04 -1.26 -1.98 135.00 136.90 2jmr s PRO 49 Ca 0.12 2.13 -0.02 0.00 0.04 0.00 0.00 61.00 63.27 2jmr s PRO 49 Cb -0.11 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 2jmr s PRO 49 CO 0.01 -0.52 0.02 0.12 0.04 0.00 0.00 177.00 176.67 2jmr s PHE 50 N 1.48 0.54 -0.02 0.56 5.36 -0.39 -4.92 117.98 120.59 2jmr s PHE 50 Ca 0.66 -1.04 -0.29 0.00 -0.96 0.00 0.00 56.93 55.31 2jmr s PHE 50 Cb -0.37 -0.36 0.10 0.00 -0.34 0.00 0.00 43.02 42.04 2jmr s PHE 50 CO 0.30 -0.44 0.85 -0.98 -1.46 0.00 0.00 175.22 173.49 2jmr s ARG 51 N -3.94 0.86 0.41 10.12 1.04 -1.26 -1.39 118.95 124.79 2jmr s ARG 51 Ca 0.10 -0.16 -0.23 0.00 -1.04 0.00 0.00 55.73 54.40 2jmr s ARG 51 Cb 0.07 0.40 -0.09 0.00 -2.04 0.00 0.00 34.95 33.30 2jmr s ARG 51 CO -0.07 -0.35 1.06 0.42 -0.04 0.00 0.00 175.30 176.32 2jmr s ILE 52 N -2.54 3.66 -0.14 4.99 1.01 -1.26 -5.02 121.20 121.89 2jmr s ILE 52 Ca 0.01 1.24 0.02 0.00 0.00 0.00 0.00 60.65 61.92 2jmr s ILE 52 Cb -0.01 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.84 2jmr s ILE 52 CO -0.05 -0.02 -0.20 -0.22 0.00 0.00 0.00 174.94 174.45 2jmr s LEU 53 N -2.77 2.23 -0.20 2.97 1.98 -1.26 -4.21 118.68 117.42 2jmr s LEU 53 Ca 0.59 -0.56 -0.00 0.00 -2.89 0.00 0.00 54.13 51.27 2jmr s LEU 53 Cb -0.22 -1.48 0.05 0.00 0.66 0.00 0.00 46.19 45.20 2jmr s LEU 53 CO 0.28 0.08 -0.04 -0.76 -1.89 0.00 0.00 176.35 174.02 2jmr s LEU 54 N 0.81 1.95 -0.07 -0.68 1.02 -1.02 -3.62 118.68 117.07 2jmr s LEU 54 Ca -0.07 -0.91 -0.30 0.00 0.02 0.00 0.00 54.13 52.87 2jmr s LEU 54 Cb -0.15 -0.98 0.11 0.00 0.02 0.00 0.00 46.19 45.19 2jmr s LEU 54 CO -0.01 -0.23 0.93 -0.94 0.02 0.00 0.00 176.35 176.12 2jmr s SER 55 N 1.57 -0.37 0.97 2.29 1.04 -0.73 -3.29 113.70 115.17 2jmr s SER 55 Ca -0.02 0.19 -0.15 0.00 0.48 0.00 0.00 55.95 56.45 2jmr s SER 55 Cb -0.17 0.35 0.18 0.00 0.10 0.00 0.00 66.02 66.48 2jmr s SER 55 CO -0.07 -0.50 1.20 -2.16 0.98 0.00 0.00 173.24 172.69 2jmr s PRO 56 N -2.22 0.63 0.00 4.02 0.04 -1.25 -2.88 135.00 133.34 2jmr s PRO 56 Ca 0.02 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.03 2jmr s PRO 56 Cb -0.01 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2jmr s PRO 56 CO -0.04 -2.48 0.00 0.00 0.04 0.00 0.00 177.00 174.52 2jmr n GLY 58 N 0.00 5.63 2.66 0.00 0.00 -0.81 -4.34 105.19 108.33 2jmr n GLY 58 Ca 0.00 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.74 7.34 0.00 1.61 5.15 -1.26 -1.57 115.26 125.79 2jmr n ASN 59 Ca 0.00 -3.61 0.00 0.00 -0.60 0.00 0.00 54.58 50.37 2jmr n ASN 59 Cb 0.00 -1.20 0.00 0.00 -0.53 0.00 0.00 39.78 38.05 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jmr n ALA 60 N 0.24 0.00 -2.60 5.20 0.00 -1.26 -4.85 120.51 117.24 2jmr n ALA 60 Ca 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.78 2jmr n ALA 60 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.71 2jmr n ALA 60 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2jmr n VAL 61 N 0.00 -0.58 0.23 0.00 0.24 -1.25 -4.21 118.33 112.75 2jmr n VAL 61 Ca 0.00 0.00 0.17 0.00 -2.04 0.00 0.00 64.34 62.47 2jmr n VAL 61 Cb 0.00 -1.54 0.78 0.00 -1.47 0.00 0.00 33.84 31.61 2jmr n VAL 61 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2jmr h SER 62 N -0.17 0.00 -2.32 -1.34 4.64 -1.96 -3.36 113.55 109.04 2jmr h SER 62 Ca -0.28 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.14 2jmr h SER 62 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 2jmr h SER 62 CO 0.33 0.00 0.43 0.00 -0.87 0.00 0.00 176.83 176.72 2jmr n ALA 63 N -2.09 -2.06 -3.83 5.18 0.00 -1.26 -4.13 120.51 112.32 2jmr n ALA 63 Ca 0.02 -0.90 -0.06 0.00 0.00 0.00 0.00 53.44 52.49 2jmr n ALA 63 Cb 0.49 0.56 -0.01 0.00 0.00 0.00 0.00 19.45 20.50 2jmr n ALA 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jmr s VAL 64 N -2.17 0.00 -0.24 0.00 0.11 -1.26 -4.35 120.40 112.49 2jmr s VAL 64 Ca 0.18 -0.92 -0.00 0.00 -2.93 0.00 0.00 61.98 58.31 2jmr s VAL 64 Cb -0.03 -2.21 0.03 0.00 -1.53 0.00 0.00 36.38 32.65 2jmr s VAL 64 CO 0.06 0.00 -0.09 -0.54 -3.33 0.00 0.00 175.10 171.20 2jmr s LYS 65 N -3.41 2.70 0.34 1.54 -0.14 -0.95 -4.54 119.74 115.28 2jmr s LYS 65 Ca 0.13 -1.06 -0.25 0.00 -1.36 0.00 0.00 55.97 53.43 2jmr s LYS 65 Cb -0.05 -2.91 -0.10 0.00 -1.68 0.00 0.00 37.83 33.09 2jmr s LYS 65 CO 0.07 -0.42 0.95 0.54 -0.76 0.00 0.00 175.35 175.73 2jmr s VAL 66 N 1.26 4.21 -0.32 3.17 0.11 -1.26 -0.75 120.40 126.83 2jmr s VAL 66 Ca -0.01 1.75 -0.02 0.00 -2.93 0.00 0.00 61.98 60.77 2jmr s VAL 66 Cb -0.17 -3.93 0.11 0.00 -1.53 0.00 0.00 36.38 30.86 2jmr s VAL 66 CO -0.06 0.06 0.15 -0.83 -3.33 0.00 0.00 175.10 171.10 2jmr s GLY 67 N -1.70 0.83 -0.53 6.54 0.00 0.14 -4.88 107.32 107.72 2jmr s GLY 67 Ca 0.52 -1.54 -0.27 0.00 0.00 0.00 0.00 44.72 43.43 2jmr s GLY 67 CO 0.22 1.91 1.08 -1.36 0.00 0.00 0.00 173.10 174.95 2jmr s PHE 68 N 1.60 2.75 -0.04 1.90 0.08 -1.26 -0.95 117.98 122.07 2jmr s PHE 68 Ca 0.12 0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.58 2jmr s PHE 68 Cb -0.19 -4.30 0.02 0.00 -0.57 0.00 0.00 43.02 37.98 2jmr s PHE 68 CO -0.22 -1.37 -0.05 0.95 -0.10 0.00 0.00 175.22 174.43 2jmr s THR 69 N 4.40 0.53 0.25 0.64 -4.23 -0.48 -4.19 115.64 112.56 2jmr s THR 69 Ca 0.40 -0.16 -0.20 0.00 -1.18 0.00 0.00 61.69 60.56 2jmr s THR 69 Cb -0.09 -0.54 0.07 0.00 1.34 0.00 0.00 72.50 73.28 2jmr s THR 69 CO 0.26 0.21 0.94 -0.83 -0.54 0.00 0.00 174.62 174.66 2jmr s GLY 70 N 0.68 0.17 0.08 3.99 0.00 -1.26 -0.63 107.32 110.34 2jmr s GLY 70 Ca -0.09 -0.44 -0.31 0.00 0.00 0.00 0.00 44.72 43.88 2jmr s GLY 70 CO 0.00 1.29 1.34 -1.34 0.00 0.00 0.00 173.10 174.39 2jmr s VAL 71 N -2.33 3.54 0.20 1.40 -7.23 -1.26 -4.43 120.40 110.28 2jmr s VAL 71 Ca 0.19 1.09 -0.30 0.00 -1.81 0.00 0.00 61.98 61.15 2jmr s VAL 71 Cb -0.03 -3.70 -0.08 0.00 0.56 0.00 0.00 36.38 33.13 2jmr s VAL 71 CO 0.07 0.07 0.95 0.00 -0.31 0.00 0.00 175.10 175.89 2jmr s ALA 72 N 1.29 3.31 0.31 1.32 0.00 -1.26 -1.13 121.76 125.60 2jmr s ALA 72 Ca 0.63 0.61 -0.16 0.00 0.00 0.00 0.00 51.96 53.05 2jmr s ALA 72 Cb -0.34 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 2jmr s ALA 72 CO 0.29 0.12 0.73 0.34 0.00 0.00 0.00 175.76 177.25 2jmr s ASP 73 N -0.76 6.81 0.43 0.00 2.15 -1.08 -4.73 116.67 119.49 2jmr s ASP 73 Ca 0.43 1.30 0.30 0.00 0.43 0.00 0.00 52.55 55.01 2jmr s ASP 73 Cb -0.25 -2.38 1.51 0.00 -0.30 0.00 0.00 42.92 41.50 2jmr s ASP 73 CO 0.31 -0.17 1.90 0.28 -0.17 0.00 0.00 175.17 177.33 2jmr h SER 74 N 2.41 0.00 0.00 -0.34 0.02 -1.96 -2.60 113.55 111.08 2jmr h SER 74 Ca -0.48 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.27 2jmr h SER 74 Cb 1.18 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 2jmr h SER 74 CO 0.65 0.00 -1.80 1.41 -1.14 0.00 0.00 176.83 175.96 2jmr n HIS 75 N -2.57 0.00 -3.31 3.45 8.25 -1.26 -4.85 115.22 114.93 2jmr n HIS 75 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 2jmr n HIS 75 Cb 0.11 -0.57 -0.06 0.00 1.12 0.00 0.00 29.99 30.59 2jmr n HIS 75 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2jmr s ASN 76 N -4.40 0.46 0.15 0.41 3.84 -1.21 -5.04 114.94 109.15 2jmr s ASN 76 Ca -0.06 -0.75 0.16 0.00 0.21 0.00 0.00 52.86 52.43 2jmr s ASN 76 Cb 0.04 1.02 0.74 0.00 -0.55 0.00 0.00 41.25 42.51 2jmr s ASN 76 CO 0.48 -0.31 1.50 0.00 -2.79 0.00 0.00 177.10 175.98 2jmr n ALA 77 N 4.98 1.41 0.33 1.71 0.00 -0.98 -0.64 120.51 127.31 2jmr n ALA 77 Ca 0.04 0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.68 2jmr n ALA 77 Cb 0.49 -1.26 0.46 0.00 0.00 0.00 0.00 19.45 19.14 2jmr n ALA 77 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2jmr h ASN 78 N 0.00 0.00 -3.33 0.00 2.35 -1.93 -3.38 115.58 109.29 2jmr h ASN 78 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 2jmr h ASN 78 Cb 0.19 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.48 2jmr h ASN 78 CO 0.00 0.00 -0.12 -0.76 -1.65 0.00 0.00 177.43 174.90 2jmr s LEU 79 N -5.69 4.28 -0.17 1.61 2.01 0.19 -4.09 118.68 116.81 2jmr s LEU 79 Ca 0.05 0.84 -0.29 0.00 0.01 0.00 0.00 54.13 54.74 2jmr s LEU 79 Cb 0.08 -2.72 -0.04 0.00 0.01 0.00 0.00 46.19 43.52 2jmr s LEU 79 CO 0.57 -0.01 1.68 -0.22 1.01 0.00 0.00 176.35 179.38 2jmr s LEU 80 N 0.64 4.00 0.46 1.79 2.96 -0.72 -2.62 118.68 125.19 2jmr s LEU 80 Ca 0.27 1.84 -0.22 0.00 -0.22 0.00 0.00 54.13 55.80 2jmr s LEU 80 Cb -0.15 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.93 2jmr s LEU 80 CO 0.11 -1.21 1.11 0.00 -1.32 0.00 0.00 176.35 175.04 2jmr s ALA 81 N 5.08 2.95 1.00 5.97 0.00 -0.28 -0.55 121.76 135.93 2jmr s ALA 81 Ca 0.75 0.81 -0.16 0.00 0.00 0.00 0.00 51.96 53.35 2jmr s ALA 81 Cb -0.28 -3.33 0.21 0.00 0.00 0.00 0.00 23.12 19.72 2jmr s ALA 81 CO 0.30 -0.50 1.26 -0.48 0.00 0.00 0.00 175.76 176.34 2jmr s LEU 82 N -3.10 2.22 0.00 0.00 0.05 -1.26 -4.55 118.68 112.04 2jmr s LEU 82 Ca 0.64 0.41 0.01 0.00 0.05 0.00 0.00 54.13 55.24 2jmr s LEU 82 Cb -0.24 -2.42 0.05 0.00 -2.05 0.00 0.00 46.19 41.52 2jmr s LEU 82 CO 0.29 -2.98 0.77 -1.84 -0.55 0.00 0.00 176.35 172.04 2jmr n GLU 83 N -3.96 0.02 -3.48 1.48 0.28 0.14 -4.83 120.64 110.28 2jmr n GLU 83 Ca 0.14 0.22 -0.21 0.00 -0.16 0.00 0.00 57.16 57.15 2jmr n GLU 83 Cb 0.60 -1.50 0.06 0.00 1.43 0.00 0.00 31.44 32.02 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 -1.22 -4.27 -4.54 -1.84 2.85 -1.26 -5.02 115.26 99.96 2jmr n ASN 84 Ca 0.01 -0.79 -0.25 0.00 -0.11 0.00 0.00 54.58 53.43 2jmr n ASN 84 Cb 0.01 -4.51 -0.11 0.00 1.24 0.00 0.00 39.78 36.40 2jmr n ASN 84 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2jmr s THR 85 N -3.47 1.69 0.20 -0.44 -1.32 -1.26 -5.04 115.64 106.00 2jmr s THR 85 Ca 0.28 -2.02 -0.10 0.00 -1.21 0.00 0.00 61.69 58.64 2jmr s THR 85 Cb -0.06 -2.87 0.13 0.00 -1.51 0.00 0.00 72.50 68.19 2jmr s THR 85 CO 0.78 -0.03 1.76 -0.37 -2.21 0.00 0.00 174.62 174.56 2jmr h VAL 86 N 1.94 0.84 -0.01 5.08 -1.51 -1.96 -2.49 116.25 118.14 2jmr h VAL 86 Ca -0.42 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 2jmr h VAL 86 Cb 1.24 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 2jmr h VAL 86 CO 0.75 0.09 -0.11 -1.54 -1.23 0.00 0.00 177.57 175.53 2jmr n SER 87 N -4.94 0.75 -4.91 4.19 3.41 -1.26 -4.77 113.62 106.10 2jmr n SER 87 Ca 0.08 -0.88 -0.28 0.00 -0.26 0.00 0.00 58.87 57.53 2jmr n SER 87 Cb 0.23 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 2jmr n SER 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jmr s ALA 88 N -2.33 3.56 1.02 7.33 0.00 -0.94 -1.17 121.76 129.23 2jmr s ALA 88 Ca 0.32 -0.58 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 2jmr s ALA 88 Cb 0.20 -2.37 0.20 0.00 0.00 0.00 0.00 23.12 21.15 2jmr s ALA 88 CO 0.44 0.03 1.08 0.00 0.00 0.00 0.00 175.76 177.31 2jmr s ALA 89 N -2.30 0.68 0.22 0.00 0.00 -0.68 -4.54 121.76 115.14 2jmr s ALA 89 Ca 0.45 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.36 2jmr s ALA 89 Cb -0.10 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2jmr s ALA 89 CO 0.34 -3.04 0.15 -1.12 0.00 0.00 0.00 175.76 172.09 2jmr s SER 90 N -3.06 5.39 -0.02 0.00 0.01 -1.26 -4.78 113.70 109.99 2jmr s SER 90 Ca 0.66 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2jmr s SER 90 Cb -0.21 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.68 2jmr s SER 90 CO 0.60 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.86 2jmr n GLY 91 N -0.83 0.23 2.97 3.44 0.00 -1.26 -4.65 105.19 105.09 2jmr n GLY 91 Ca -0.08 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.03 2.13 0.11 0.99 1.43 -1.26 -0.63 118.68 121.41 2jmr s LEU 92 Ca 0.00 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.27 2jmr s LEU 92 Cb 0.00 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 2jmr s LEU 92 CO 0.00 -0.16 0.25 -0.83 0.23 0.00 0.00 176.35 175.84 2jmr s GLY 93 N 1.45 1.92 0.46 -3.19 0.00 -0.22 -4.63 107.32 103.12 2jmr s GLY 93 Ca -0.01 -0.95 -0.24 0.00 0.00 0.00 0.00 44.72 43.52 2jmr s GLY 93 CO -0.08 -0.94 1.24 -0.42 0.00 0.00 0.00 173.10 172.89 2jmr s ILE 94 N -1.64 2.79 -0.19 0.90 -1.09 0.29 -0.54 121.20 121.73 2jmr s ILE 94 Ca 0.35 0.63 -0.02 0.00 -2.23 0.00 0.00 60.65 59.37 2jmr s ILE 94 Cb -0.12 -3.33 0.06 0.00 -1.58 0.00 0.00 42.46 37.48 2jmr s ILE 94 CO 0.28 0.02 0.02 -1.58 -1.23 0.00 0.00 174.94 172.45 2jmr s GLN 95 N -2.59 0.82 0.01 2.79 0.74 0.14 -1.76 119.66 119.81 2jmr s GLN 95 Ca 0.63 -0.45 0.05 0.00 0.05 0.00 0.00 55.36 55.64 2jmr s GLN 95 Cb -0.33 -2.06 -0.03 0.00 1.10 0.00 0.00 33.01 31.69 2jmr s GLN 95 CO 0.41 -0.59 -0.13 -0.51 -0.55 0.00 0.00 175.29 173.92 2jmr s LEU 96 N 1.80 2.82 -0.00 3.68 2.01 -1.26 -0.71 118.68 127.02 2jmr s LEU 96 Ca -0.01 -0.28 -0.02 0.00 0.01 0.00 0.00 54.13 53.82 2jmr s LEU 96 Cb -0.17 -1.63 -0.00 0.00 0.01 0.00 0.00 46.19 44.40 2jmr s LEU 96 CO -0.07 0.28 0.04 -0.76 1.01 0.00 0.00 176.35 176.85 2jmr s LEU 97 N -1.29 1.89 0.70 1.79 1.43 -0.20 -3.73 118.68 119.27 2jmr s LEU 97 Ca 0.15 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 2jmr s LEU 97 Cb -0.11 0.27 0.01 0.00 0.03 0.00 0.00 46.19 46.39 2jmr s LEU 97 CO 0.05 -0.19 1.07 0.54 0.23 0.00 0.00 176.35 178.05 2jmr s ASN 98 N -0.79 5.39 0.52 2.29 6.03 -1.25 -0.99 114.94 126.15 2jmr s ASN 98 Ca -0.09 1.35 0.29 0.00 -1.03 0.00 0.00 52.86 53.39 2jmr s ASN 98 Cb -0.05 -2.22 1.60 0.00 -3.03 0.00 0.00 41.25 37.55 2jmr s ASN 98 CO 0.00 -1.40 1.88 1.05 -2.03 0.00 0.00 177.10 176.60 2jmr h GLU 99 N -0.69 0.00 0.00 3.55 -0.00 -1.85 0.22 114.58 115.81 2jmr h GLU 99 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 2jmr h GLU 99 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 2jmr h GLU 99 CO 0.61 0.00 0.00 1.04 -0.00 0.00 0.00 179.01 180.66 2jmr n GLN 100 N -2.64 0.05 -3.72 1.06 6.02 -1.26 -4.89 117.38 112.00 2jmr n GLN 100 Ca -0.02 0.30 -0.24 0.00 -0.01 0.00 0.00 57.00 57.03 2jmr n GLN 100 Cb 0.19 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 29.98 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 -1.37 -3.67 -4.25 -1.09 6.02 0.79 -5.02 117.38 108.79 2jmr n GLN 101 Ca 0.02 0.56 -0.14 0.00 -0.01 0.00 0.00 57.00 57.43 2jmr n GLN 101 Cb 0.05 -4.87 -0.10 0.00 1.02 0.00 0.00 30.24 26.34 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 -4.13 1.81 -0.55 1.08 3.84 -1.25 -5.01 114.94 110.72 2jmr s ASN 102 Ca 0.12 -1.00 -0.26 0.00 0.21 0.00 0.00 52.86 51.93 2jmr s ASN 102 Cb -0.04 -0.02 -0.05 0.00 -0.55 0.00 0.00 41.25 40.60 2jmr s ASN 102 CO 0.83 -0.32 2.17 -1.58 -2.79 0.00 0.00 177.10 175.41 2jmr s GLN 103 N -3.67 2.33 0.18 0.43 0.74 -1.26 -3.84 119.66 114.56 2jmr s GLN 103 Ca 0.16 1.04 -0.31 0.00 0.05 0.00 0.00 55.36 56.31 2jmr s GLN 103 Cb 0.02 -4.50 -0.09 0.00 1.10 0.00 0.00 33.01 29.53 2jmr s GLN 103 CO 0.01 -3.05 1.46 0.42 -0.55 0.00 0.00 175.29 173.57 2jmr s ILE 104 N 10.85 2.87 0.81 -2.34 1.01 -1.24 -5.05 121.20 128.11 2jmr s ILE 104 Ca 0.84 0.66 -0.12 0.00 0.00 0.00 0.00 60.65 62.03 2jmr s ILE 104 Cb -0.15 -3.42 0.08 0.00 0.01 0.00 0.00 42.46 38.98 2jmr s ILE 104 CO 0.23 0.07 1.17 -2.16 0.00 0.00 0.00 174.94 174.26 2jmr s PRO 105 N 0.54 1.97 0.00 2.79 0.04 -1.26 -4.85 135.00 134.24 2jmr s PRO 105 Ca 0.64 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.84 2jmr s PRO 105 Cb -0.41 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2jmr s PRO 105 CO 0.35 -1.60 0.00 1.28 0.04 0.00 0.00 177.00 177.07 2jmr n LEU 106 N -3.33 0.00 -3.05 -3.56 4.32 -1.26 -4.77 117.00 105.35 2jmr n LEU 106 Ca 0.08 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.87 2jmr n LEU 106 Cb 0.60 -0.10 -0.03 0.00 -1.62 0.00 0.00 43.42 42.27 2jmr n LEU 106 CO 0.57 -0.17 2.20 -0.46 -1.22 0.00 0.00 177.39 178.31 2jmr n ASN 107 N -1.71 4.68 -4.31 -1.43 0.23 -1.26 -4.25 115.26 107.21 2jmr n ASN 107 Ca 0.00 -2.29 -0.18 0.00 -0.53 0.00 0.00 54.58 51.58 2jmr n ASN 107 Cb 0.00 -1.06 -0.10 0.00 -2.08 0.00 0.00 39.78 36.54 2jmr n ASN 107 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jmr s ALA 108 N 3.20 1.82 0.82 -2.53 0.00 -1.26 -5.11 121.76 118.70 2jmr s ALA 108 Ca 0.39 -1.53 -0.12 0.00 0.00 0.00 0.00 51.96 50.71 2jmr s ALA 108 Cb 0.11 -0.08 0.09 0.00 0.00 0.00 0.00 23.12 23.24 2jmr s ALA 108 CO -0.03 0.08 1.16 -1.25 0.00 0.00 0.00 175.76 175.72 2jmr s PRO 109 N -3.30 1.88 0.15 0.00 0.04 -1.26 -4.95 135.00 127.56 2jmr s PRO 109 Ca 0.17 0.20 0.14 0.00 0.04 0.00 0.00 61.00 61.55 2jmr s PRO 109 Cb -0.02 -1.93 0.67 0.00 0.04 0.00 0.00 34.50 33.26 2jmr s PRO 109 CO 0.05 -1.67 1.43 -1.13 0.04 0.00 0.00 177.00 175.72 2jmr n SER 110 N -3.39 0.31 -0.48 6.66 3.41 -1.26 -2.48 113.62 116.39 2jmr n SER 110 Ca 0.08 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 2jmr n SER 110 Cb 0.60 -0.67 0.48 0.00 -0.26 0.00 0.00 64.21 64.37 2jmr n SER 110 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jmr n SER 111 N -1.88 1.47 -0.00 4.04 7.64 -1.26 -4.19 113.62 119.44 2jmr n SER 111 Ca 0.01 -1.56 0.07 0.00 1.01 0.00 0.00 58.87 58.39 2jmr n SER 111 Cb 0.09 -0.04 -0.08 0.00 -1.01 0.00 0.00 64.21 63.16 2jmr n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr n ALA 112 N 0.17 3.74 -2.45 -0.43 0.00 -1.03 -5.01 120.51 115.49 2jmr n ALA 112 Ca 0.18 -0.40 -0.19 0.00 0.00 0.00 0.00 53.44 53.03 2jmr n ALA 112 Cb 0.33 -0.52 -0.11 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.80 2.43 -0.19 0.00 -0.00 -1.26 -4.87 118.68 112.00 2jmr s LEU 113 Ca 0.04 -0.86 0.01 0.00 -0.00 0.00 0.00 54.13 53.33 2jmr s LEU 113 Cb 0.11 -0.62 0.04 0.00 -0.00 0.00 0.00 46.19 45.71 2jmr s LEU 113 CO 0.59 -0.13 -0.11 -0.44 -0.00 0.00 0.00 176.35 176.26 2jmr s SER 114 N -2.63 3.27 0.95 1.48 0.01 -1.26 -4.92 113.70 110.59 2jmr s SER 114 Ca 0.12 -0.82 -0.10 0.00 1.31 0.00 0.00 55.95 56.46 2jmr s SER 114 Cb -0.04 -1.21 0.15 0.00 0.21 0.00 0.00 66.02 65.13 2jmr s SER 114 CO 0.04 -0.14 0.90 1.87 0.41 0.00 0.00 173.24 176.33 2jmr n TRP 115 N 4.71 -3.87 -3.98 2.43 -0.00 -1.26 -4.96 117.44 110.51 2jmr n TRP 115 Ca -0.15 -0.89 -0.08 0.00 -0.00 0.00 0.00 57.50 56.38 2jmr n TRP 115 Cb 0.47 -0.69 -0.09 0.00 -0.00 0.00 0.00 31.31 31.00 2jmr n TRP 115 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 2jmr s THR 116 N -2.91 0.17 -0.93 5.87 2.01 -1.26 -5.04 115.64 113.54 2jmr s THR 116 Ca 0.52 -1.37 -0.32 0.00 0.31 0.00 0.00 61.69 60.83 2jmr s THR 116 Cb -0.02 -1.20 -0.21 0.00 0.01 0.00 0.00 72.50 71.08 2jmr s THR 116 CO 0.36 -0.76 2.64 0.41 -0.69 0.00 0.00 174.62 176.59 2jmr n THR 117 N 0.37 -0.00 -1.61 -0.82 -1.04 -1.26 -4.69 114.28 105.23 2jmr n THR 117 Ca -0.16 -0.04 -0.43 0.00 -2.04 0.00 0.00 64.05 61.38 2jmr n THR 117 Cb 0.60 -0.61 -0.03 0.00 -1.82 0.00 0.00 70.33 68.47 2jmr n THR 117 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2jmr s LEU 118 N 8.90 3.50 -0.03 -4.42 1.43 -1.26 -4.94 118.68 121.87 2jmr s LEU 118 Ca 1.33 1.95 -0.30 0.00 -1.03 0.00 0.00 54.13 56.07 2jmr s LEU 118 Cb -1.23 -3.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.43 2jmr s LEU 118 CO 0.49 -1.91 1.51 -0.89 0.23 0.00 0.00 176.35 175.78 2jmr s THR 119 N 8.10 3.63 0.56 5.49 2.01 -1.26 -4.48 115.64 129.68 2jmr s THR 119 Ca 1.00 0.92 -0.21 0.00 0.31 0.00 0.00 61.69 63.71 2jmr s THR 119 Cb -0.34 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 2jmr s THR 119 CO 0.36 -0.04 1.33 -0.81 -0.69 0.00 0.00 174.62 174.77 2jmr n PRO 120 N 6.14 1.60 -3.42 4.92 -0.05 -1.26 -3.72 135.00 139.21 2jmr n PRO 120 Ca 0.15 0.59 -0.17 0.00 -0.05 0.00 0.00 63.50 64.02 2jmr n PRO 120 Cb 0.43 -2.54 0.00 0.00 -0.05 0.00 0.00 33.50 31.34 2jmr n PRO 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2jmr n GLY 121 N 0.80 -0.62 2.70 0.55 0.00 -0.61 -4.75 105.19 103.27 2jmr n GLY 121 Ca 0.11 0.28 -0.15 0.00 0.00 0.00 0.00 46.02 46.25 2jmr n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jmr n LYS 122 N -2.10 0.39 0.00 1.61 4.01 -1.24 -2.02 118.16 118.80 2jmr n LYS 122 Ca -0.14 -2.69 0.14 0.00 -0.51 0.00 0.00 58.31 55.12 2jmr n LYS 122 Cb 0.35 2.28 0.67 0.00 -0.51 0.00 0.00 35.03 37.81 2jmr n LYS 122 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2jmr n PRO 123 N -0.52 0.65 -4.36 1.97 -0.04 -1.26 -4.59 135.00 126.84 2jmr n PRO 123 Ca 0.05 -0.17 -0.38 0.00 -0.04 0.00 0.00 63.50 62.97 2jmr n PRO 123 Cb 0.50 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 2jmr n PRO 123 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2jmr n ASN 124 N -1.03 -1.95 -4.59 3.54 5.03 -1.21 -2.42 115.26 112.62 2jmr n ASN 124 Ca 0.15 -1.15 -0.43 0.00 0.87 0.00 0.00 54.58 54.03 2jmr n ASN 124 Cb 0.26 -2.12 -0.02 0.00 -1.02 0.00 0.00 39.78 36.87 2jmr n ASN 124 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2jmr s THR 125 N -3.44 3.86 0.00 3.41 2.01 -1.26 -4.09 115.64 116.12 2jmr s THR 125 Ca 0.65 0.84 0.00 0.00 0.31 0.00 0.00 61.69 63.49 2jmr s THR 125 Cb -0.37 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 67.89 2jmr s THR 125 CO 0.98 -0.86 0.00 0.18 -0.69 0.00 0.00 174.62 174.23 2jmr n LEU 126 N 9.12 0.00 -3.98 4.42 7.99 -1.26 -5.10 117.00 128.19 2jmr n LEU 126 Ca 0.16 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.86 2jmr n LEU 126 Cb 0.48 0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 43.63 2jmr n LEU 126 CO 0.71 -0.11 -0.47 0.20 -1.51 0.00 0.00 177.39 176.21 2jmr s ASN 127 N -1.00 2.66 0.30 -1.43 0.02 -1.26 -4.79 114.94 109.43 2jmr s ASN 127 Ca 0.00 -0.50 0.04 0.00 -1.02 0.00 0.00 52.86 51.37 2jmr s ASN 127 Cb 0.00 -1.09 -0.03 0.00 0.02 0.00 0.00 41.25 40.15 2jmr s ASN 127 CO 0.00 -0.09 0.27 -0.36 0.02 0.00 0.00 177.10 176.94 2jmr s PHE 128 N 1.54 1.49 0.05 2.20 0.40 -0.49 -2.93 117.98 120.24 2jmr s PHE 128 Ca 0.04 -1.53 -0.02 0.00 -0.60 0.00 0.00 56.93 54.82 2jmr s PHE 128 Cb -0.13 -0.58 -0.03 0.00 0.51 0.00 0.00 43.02 42.79 2jmr s PHE 128 CO -0.10 -0.85 0.01 0.71 0.70 0.00 0.00 175.22 175.69 2jmr s TYR 129 N -3.59 0.44 -0.01 0.36 2.02 -0.16 -1.26 117.35 115.15 2jmr s TYR 129 Ca 0.39 -0.94 -0.02 0.00 -0.37 0.00 0.00 57.07 56.12 2jmr s TYR 129 Cb 0.03 -0.32 -0.00 0.00 -0.40 0.00 0.00 41.96 41.27 2jmr s TYR 129 CO 0.22 -0.39 0.04 0.00 -1.57 0.00 0.00 175.55 173.85 2jmr s ALA 130 N -3.73 -0.09 0.00 3.71 0.00 -0.84 -1.04 121.76 119.78 2jmr s ALA 130 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2jmr s ALA 130 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2jmr s ALA 130 CO -0.09 -0.07 0.00 -2.13 0.00 0.00 0.00 175.76 173.46 2jmr n ARG 131 N 2.57 0.00 -4.22 0.00 3.00 0.12 -1.49 116.66 116.64 2jmr n ARG 131 Ca -0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.40 2jmr n ARG 131 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.95 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 3.10 -0.11 6.15 1.43 -1.26 -0.68 118.68 127.31 2jmr s LEU 132 Ca 0.00 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 2jmr s LEU 132 Cb 0.00 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2jmr s LEU 132 CO 0.00 0.17 -0.23 -0.32 0.23 0.00 0.00 176.35 176.20 2jmr s MET 133 N -2.30 3.00 0.29 1.70 -2.45 0.30 -2.94 119.30 116.90 2jmr s MET 133 Ca 0.22 -0.86 -0.28 0.00 -1.25 0.00 0.00 55.69 53.52 2jmr s MET 133 Cb -0.11 -2.30 -0.09 0.00 1.25 0.00 0.00 34.83 33.58 2jmr s MET 133 CO 0.15 0.13 1.03 0.00 1.05 0.00 0.00 175.02 177.38 2jmr s ALA 134 N 0.45 3.31 0.00 4.11 0.00 -0.81 -1.05 121.76 127.77 2jmr s ALA 134 Ca -0.16 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2jmr s ALA 134 Cb -0.17 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2jmr s ALA 134 CO 0.07 -0.02 0.00 0.25 0.00 0.00 0.00 175.76 176.05 2jmr n THR 135 N 0.98 0.00 -4.31 0.00 -2.24 0.19 -4.49 114.28 104.41 2jmr n THR 135 Ca 0.00 -0.15 -0.20 0.00 -2.27 0.00 0.00 64.05 61.43 2jmr n THR 135 Cb 0.47 0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 69.26 2jmr n THR 135 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2jmr s GLN 136 N -0.94 1.78 -0.47 -0.78 -1.52 -0.81 -4.88 119.66 112.05 2jmr s GLN 136 Ca 0.00 -2.04 0.06 0.00 -1.95 0.00 0.00 55.36 51.42 2jmr s GLN 136 Cb 0.00 0.21 0.40 0.00 -0.22 0.00 0.00 33.01 33.40 2jmr s GLN 136 CO 0.00 -0.63 1.05 1.33 -0.25 0.00 0.00 175.29 176.79 2jmr n VAL 137 N -0.66 2.45 0.23 1.09 0.24 -1.26 -4.71 118.33 115.70 2jmr n VAL 137 Ca 0.06 -5.02 0.12 0.00 -2.04 0.00 0.00 64.34 57.46 2jmr n VAL 137 Cb 0.63 -1.19 0.40 0.00 -1.47 0.00 0.00 33.84 32.21 2jmr n VAL 137 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jmr h PRO 138 N 2.72 0.00 -6.95 7.34 0.13 -1.82 -3.47 132.00 129.94 2jmr h PRO 138 Ca 0.23 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.77 2jmr h PRO 138 Cb 0.82 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.69 2jmr h PRO 138 CO 0.82 0.14 -0.89 1.33 -0.23 0.00 0.00 178.00 179.17 2jmr n VAL 139 N -3.22 -0.90 -2.65 1.56 0.24 -1.26 -4.93 118.33 107.17 2jmr n VAL 139 Ca 0.01 -0.16 -0.43 0.00 -2.04 0.00 0.00 64.34 61.73 2jmr n VAL 139 Cb 0.46 -1.25 -0.02 0.00 -1.47 0.00 0.00 33.84 31.55 2jmr n VAL 139 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jmr s THR 140 N -3.56 4.69 -0.13 3.34 2.01 -1.26 -4.69 115.64 116.04 2jmr s THR 140 Ca 0.55 1.97 -0.29 0.00 0.31 0.00 0.00 61.69 64.23 2jmr s THR 140 Cb -0.31 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 2jmr s THR 140 CO 0.97 -0.03 1.62 0.00 -0.69 0.00 0.00 174.62 176.50 2jmr s ALA 141 N 2.24 3.47 -0.29 7.40 0.00 -1.26 -4.51 121.76 128.81 2jmr s ALA 141 Ca 0.49 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 53.04 2jmr s ALA 141 Cb -0.19 -3.78 0.12 0.00 0.00 0.00 0.00 23.12 19.27 2jmr s ALA 141 CO 0.17 -1.62 0.75 0.20 0.00 0.00 0.00 175.76 175.26 2jmr s GLY 142 N 3.70 -0.53 0.19 0.00 0.00 -1.26 -4.76 107.32 104.65 2jmr s GLY 142 Ca 0.72 2.57 -0.29 0.00 0.00 0.00 0.00 44.72 47.72 2jmr s GLY 142 CO 0.28 2.82 0.64 -2.39 0.00 0.00 0.00 173.10 174.45 2jmr n HIS 143 N 4.80 -0.15 -2.62 1.90 1.44 -0.32 -1.68 115.22 118.59 2jmr n HIS 143 Ca -0.15 0.94 -0.43 0.00 -2.01 0.00 0.00 57.72 56.07 2jmr n HIS 143 Cb 0.54 -2.01 -0.02 0.00 0.12 0.00 0.00 29.99 28.62 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 -0.89 4.45 -0.17 0.61 1.09 -0.37 -3.98 121.20 121.94 2jmr s ILE 144 Ca 0.66 1.65 -0.05 0.00 -1.10 0.00 0.00 60.65 61.81 2jmr s ILE 144 Cb -0.94 -4.44 0.06 0.00 -1.06 0.00 0.00 42.46 36.09 2jmr s ILE 144 CO 0.56 -0.56 0.11 0.20 -0.10 0.00 0.00 174.94 175.15 2jmr s ASN 145 N 1.82 2.17 0.27 3.58 0.01 -1.26 -1.84 114.94 119.69 2jmr s ASN 145 Ca 0.46 -0.53 0.02 0.00 -0.71 0.00 0.00 52.86 52.09 2jmr s ASN 145 Cb -0.12 -0.15 -0.05 0.00 0.41 0.00 0.00 41.25 41.34 2jmr s ASN 145 CO 0.18 -0.34 0.09 0.00 -1.51 0.00 0.00 177.10 175.52 2jmr s ALA 146 N 2.17 1.81 -0.08 0.60 0.00 -1.24 -0.68 121.76 124.33 2jmr s ALA 146 Ca 0.03 -1.88 -0.06 0.00 0.00 0.00 0.00 51.96 50.05 2jmr s ALA 146 Cb -0.16 1.01 0.03 0.00 0.00 0.00 0.00 23.12 24.00 2jmr s ALA 146 CO -0.09 -0.44 0.19 -0.08 0.00 0.00 0.00 175.76 175.34 2jmr s THR 147 N -3.70 -0.02 0.34 0.00 -1.32 -1.26 -3.90 115.64 105.78 2jmr s THR 147 Ca 0.38 0.06 -0.15 0.00 -1.21 0.00 0.00 61.69 60.77 2jmr s THR 147 Cb 0.08 -0.29 0.03 0.00 -1.51 0.00 0.00 72.50 70.81 2jmr s THR 147 CO 0.14 0.02 0.69 0.00 -2.21 0.00 0.00 174.62 173.26 2jmr s ALA 148 N 0.49 -0.58 -0.26 11.08 0.00 -1.06 -4.37 121.76 127.06 2jmr s ALA 148 Ca -0.03 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 2jmr s ALA 148 Cb -0.05 0.84 0.09 0.00 0.00 0.00 0.00 23.12 24.00 2jmr s ALA 148 CO -0.02 -0.96 0.09 0.95 0.00 0.00 0.00 175.76 175.82 2jmr s THR 149 N -3.04 0.37 0.28 0.00 -4.23 0.19 -1.15 115.64 108.07 2jmr s THR 149 Ca 0.17 -0.84 -0.26 0.00 -1.18 0.00 0.00 61.69 59.58 2jmr s THR 149 Cb -0.04 -1.16 -0.09 0.00 1.34 0.00 0.00 72.50 72.54 2jmr s THR 149 CO 0.11 -0.53 0.91 0.72 -0.54 0.00 0.00 174.62 175.29 2jmr s PHE 150 N 1.89 3.77 -0.03 3.99 -0.71 -1.23 -1.38 117.98 124.29 2jmr s PHE 150 Ca 0.06 1.76 0.00 0.00 -1.04 0.00 0.00 56.93 57.71 2jmr s PHE 150 Cb -0.17 -2.89 0.03 0.00 -1.21 0.00 0.00 43.02 38.78 2jmr s PHE 150 CO -0.23 0.31 0.02 0.95 -1.34 0.00 0.00 175.22 174.93 2jmr s THR 151 N -1.47 0.04 -0.56 -4.49 -4.23 -0.12 -4.04 115.64 100.78 2jmr s THR 151 Ca 0.46 0.17 -0.07 0.00 -1.18 0.00 0.00 61.69 61.07 2jmr s THR 151 Cb -0.20 -0.17 0.14 0.00 1.34 0.00 0.00 72.50 73.61 2jmr s THR 151 CO 0.26 0.12 0.42 -0.76 -0.54 0.00 0.00 174.62 174.11 2jmr s LEU 152 N 1.10 5.67 -1.09 4.79 2.01 -1.26 -0.68 118.68 129.22 2jmr s LEU 152 Ca -0.09 -2.30 -0.22 0.00 0.01 0.00 0.00 54.13 51.53 2jmr s LEU 152 Cb -0.13 -1.97 0.05 0.00 0.01 0.00 0.00 46.19 44.15 2jmr s LEU 152 CO -0.02 -0.57 1.53 -0.70 1.01 0.00 0.00 176.35 177.60 2jmr s GLU 153 N 0.77 3.66 0.44 1.70 -6.30 0.08 -4.71 118.70 114.33 2jmr s GLU 153 Ca 0.11 -1.31 -0.25 0.00 -2.50 0.00 0.00 54.97 51.01 2jmr s GLU 153 Cb -0.22 -5.40 -0.09 0.00 0.00 0.00 0.00 34.13 28.43 2jmr s GLU 153 CO -0.03 -2.26 1.38 0.66 0.02 0.00 0.00 175.26 175.03 2jmr n TYR 154 N 8.92 2.51 -1.52 5.30 4.01 -1.26 -2.23 117.16 132.88 2jmr n TYR 154 Ca 0.37 0.46 -0.31 0.00 -0.16 0.00 0.00 57.90 58.26 2jmr n TYR 154 Cb 0.50 -2.43 0.07 0.00 -0.31 0.00 0.00 39.34 37.17 2jmr n TYR 154 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 2jmr s GLN 155 N -2.36 2.52 0.08 -0.72 1.03 -1.26 -4.96 119.66 113.98 2jmr s GLN 155 Ca 0.61 0.86 -0.16 0.00 0.04 0.00 0.00 55.36 56.71 2jmr s GLN 155 Cb -0.47 -1.95 0.03 0.00 0.03 0.00 0.00 33.01 30.65 2jmr s GLN 155 CO 0.58 -1.37 0.37 0.34 -2.54 0.00 0.00 175.29 172.67 2jmr s ASP 156 N -3.78 -0.21 0.00 12.60 -1.08 -1.26 -4.43 116.67 118.50 2jmr s ASP 156 Ca 0.59 -0.20 0.28 0.00 -0.52 0.00 0.00 52.55 52.70 2jmr s ASP 156 Cb -0.15 0.42 0.98 0.00 -1.46 0.00 0.00 42.92 42.72 2jmr s ASP 156 CO 0.55 -0.73 1.74 -3.20 0.52 0.00 0.00 175.17 174.05 2jmr n ASN 157 N 0.21 0.28 -4.49 -0.34 2.85 -1.26 -4.84 115.26 107.66 2jmr n ASN 157 Ca -0.17 -0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.06 2jmr n ASN 157 Cb 0.61 -0.14 -0.11 0.00 1.24 0.00 0.00 39.78 41.38 2jmr n ASN 157 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2jmr s HIS 158 N -2.88 2.11 -0.05 1.20 3.76 -1.26 -5.17 115.29 113.00 2jmr s HIS 158 Ca 0.16 -0.87 -0.03 0.00 -0.15 0.00 0.00 55.06 54.18 2jmr s HIS 158 Cb 0.19 -1.41 0.03 0.00 1.11 0.00 0.00 32.58 32.50 2jmr s HIS 158 CO 0.58 0.14 0.12 -3.38 -0.85 0.00 0.00 174.74 171.34 2jmr s HIS 159 N -3.13 -0.13 -0.12 1.40 -3.43 -1.26 -5.04 115.29 103.58 2jmr s HIS 159 Ca 0.36 0.39 0.17 0.00 -0.80 0.00 0.00 55.06 55.18 2jmr s HIS 159 Cb 0.09 -0.07 0.43 0.00 -1.43 0.00 0.00 32.58 31.59 2jmr s HIS 159 CO 0.16 -0.13 1.20 1.58 -2.00 0.00 0.00 174.74 175.55 2jmr n HIS 160 N 3.91 0.06 -1.71 0.38 -0.00 -1.26 -5.01 115.22 111.59 2jmr n HIS 160 Ca -0.23 -1.10 -0.20 0.00 0.46 0.00 0.00 57.72 56.64 2jmr n HIS 160 Cb 0.53 -0.21 -0.08 0.00 -0.12 0.00 0.00 29.99 30.12 2jmr n HIS 160 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jmr n HIS 161 N -0.43 -0.14 -1.37 1.57 -0.00 -1.26 -4.88 115.22 108.71 2jmr n HIS 161 Ca 0.14 0.00 -0.54 0.00 0.46 0.00 0.00 57.72 57.78 2jmr n HIS 161 Cb 0.89 -3.49 -0.08 0.00 -0.12 0.00 0.00 29.99 27.19 2jmr n HIS 161 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jmr n HIS 162 N -2.64 1.37 0.34 1.57 -0.00 -1.26 -4.87 115.22 109.73 2jmr n HIS 162 Ca -0.21 0.90 -0.16 0.00 -0.00 0.00 0.00 57.72 58.25 2jmr n HIS 162 Cb 0.67 -1.81 -0.08 0.00 -0.00 0.00 0.00 29.99 28.77 2jmr n HIS 162 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jmr h HIS 163 N 4.45 -0.81 -4.72 1.57 3.86 -2.05 -3.46 115.15 113.98 2jmr h HIS 163 Ca -0.32 -0.02 -0.48 0.00 -1.16 0.00 0.00 60.37 58.39 2jmr h HIS 163 Cb 1.12 0.27 -0.12 0.00 1.06 0.00 0.00 27.41 29.74 2jmr h HIS 163 CO 0.56 -0.47 -0.44 0.36 0.86 0.00 0.00 177.93 178.80 2jmr n LYS 164 N -5.40 0.46 0.00 2.45 0.00 -1.26 -5.10 118.16 109.31 2jmr n LYS 164 Ca -0.12 -3.18 0.00 0.00 -0.00 0.00 0.00 58.31 55.01 2jmr n LYS 164 Cb 0.37 2.29 0.00 0.00 -0.00 0.00 0.00 35.03 37.69 2jmr n LYS 164 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2jmr n GLN 165 N -0.69 0.00 -3.82 -1.58 7.27 -1.26 -5.02 117.38 112.27 2jmr n GLN 165 Ca 0.03 0.31 -0.04 0.00 0.07 0.00 0.00 57.00 57.36 2jmr n GLN 165 Cb 0.57 -1.12 0.00 0.00 2.41 0.00 0.00 30.24 32.10 2jmr n GLN 165 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jmr s ALA 166 N -2.61 -1.49 -1.28 1.69 0.00 -1.26 -5.07 121.76 111.74 2jmr s ALA 166 Ca 0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.60 2jmr s ALA 166 Cb 0.00 0.70 0.12 0.00 0.00 0.00 0.00 23.12 23.94 2jmr s ALA 166 CO 0.00 -1.05 1.68 -3.47 0.00 0.00 0.00 175.76 172.92 2jmr n ASP 167 N -0.92 4.97 -4.56 0.00 -0.08 -1.26 -4.82 116.55 109.89 2jmr n ASP 167 Ca -0.05 -2.96 -0.33 0.00 -1.51 0.00 0.00 54.79 49.95 2jmr n ASP 167 Cb 0.60 -1.64 -0.04 0.00 2.34 0.00 0.00 41.12 42.38 2jmr n ASP 167 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2jmr s SER 168 N 3.16 5.36 -0.40 1.67 0.01 -1.26 -4.79 113.70 117.44 2jmr s SER 168 Ca 0.47 -0.40 -0.28 0.00 1.31 0.00 0.00 55.95 57.05 2jmr s SER 168 Cb 0.03 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 2jmr s SER 168 CO 0.02 -2.47 1.69 -0.89 0.41 0.00 0.00 173.24 172.00 2jmr s THR 169 N 9.08 3.59 -0.20 1.44 2.01 0.17 -3.47 115.64 128.26 2jmr s THR 169 Ca 0.65 0.57 -0.23 0.00 0.31 0.00 0.00 61.69 62.99 2jmr s THR 169 Cb -0.08 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 2jmr s THR 169 CO 0.06 -0.61 0.73 -0.63 -0.69 0.00 0.00 174.62 173.48 2jmr s ILE 170 N 6.78 4.94 -0.42 1.82 -1.09 -0.30 -3.84 121.20 129.09 2jmr s ILE 170 Ca 0.72 1.39 0.02 0.00 -2.23 0.00 0.00 60.65 60.55 2jmr s ILE 170 Cb -0.18 -4.04 0.15 0.00 -1.58 0.00 0.00 42.46 36.81 2jmr s ILE 170 CO 0.31 0.05 0.28 -0.89 -1.23 0.00 0.00 174.94 173.46 2jmr s THR 171 N 2.17 0.79 -0.11 2.92 2.01 -1.25 -2.57 115.64 119.58 2jmr s THR 171 Ca 0.33 -2.41 -0.30 0.00 0.31 0.00 0.00 61.69 59.62 2jmr s THR 171 Cb -0.16 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.79 2jmr s THR 171 CO 0.10 -1.03 1.02 -0.63 -0.69 0.00 0.00 174.62 173.39 2jmr s ILE 172 N 0.39 4.76 0.48 1.82 1.01 -1.25 -3.04 121.20 125.36 2jmr s ILE 172 Ca 0.22 2.03 -0.05 0.00 0.00 0.00 0.00 60.65 62.86 2jmr s ILE 172 Cb -0.15 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 2jmr s ILE 172 CO -0.06 -0.01 0.78 -0.13 0.00 0.00 0.00 174.94 175.51 2jmr s ARG 173 N 2.11 3.51 0.00 2.79 1.81 0.16 -3.69 118.95 125.64 2jmr s ARG 173 Ca 0.48 0.16 0.00 0.00 -1.72 0.00 0.00 55.73 54.65 2jmr s ARG 173 Cb -0.18 -2.39 0.00 0.00 -0.45 0.00 0.00 34.95 31.93 2jmr s ARG 173 CO 0.17 -0.20 0.00 0.41 -0.68 0.00 0.00 175.30 175.00 2jmr n GLY 174 N -2.24 -0.61 3.12 -3.53 0.00 -0.77 -4.03 105.19 97.13 2jmr n GLY 174 Ca 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.00 -0.53 -0.19 1.61 5.04 -1.26 -1.24 117.35 118.78 2jmr s TYR 175 Ca 0.00 1.13 -0.29 0.00 -2.44 0.00 0.00 57.07 55.47 2jmr s TYR 175 Cb 0.00 0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.42 2jmr s TYR 175 CO 0.00 -0.37 1.00 0.14 -1.34 0.00 0.00 175.55 174.98 2jmr s VAL 176 N 2.15 4.74 0.26 3.14 -7.23 -1.26 -0.27 120.40 121.93 2jmr s VAL 176 Ca -0.03 1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 61.82 2jmr s VAL 176 Cb -0.11 -4.29 -0.09 0.00 0.56 0.00 0.00 36.38 32.45 2jmr s VAL 176 CO -0.10 -0.10 1.00 -0.13 -0.31 0.00 0.00 175.10 175.46 2jmr s ARG 177 N 2.72 4.76 0.30 4.82 1.81 -0.26 -4.35 118.95 128.75 2jmr s ARG 177 Ca 0.44 1.61 0.25 0.00 -1.72 0.00 0.00 55.73 56.31 2jmr s ARG 177 Cb -0.16 -3.23 1.07 0.00 -0.45 0.00 0.00 34.95 32.18 2jmr s ARG 177 CO 0.10 0.39 1.74 0.38 -0.68 0.00 0.00 175.30 177.23 2jmr h ASP 178 N 3.99 0.00 0.00 0.23 2.03 -1.95 0.29 116.42 121.00 2jmr h ASP 178 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2jmr h ASP 178 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2jmr h ASP 178 CO 0.67 0.00 0.00 -3.20 -1.03 0.00 0.00 179.24 175.68