#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmr n ALA 2 N 0.00 -1.25 -1.75 3.04 0.00 -1.26 -4.93 120.51 114.36 2jmr n ALA 2 Ca 0.00 0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 2jmr n ALA 2 Cb 0.00 -3.59 0.04 0.00 0.00 0.00 0.00 19.45 15.89 2jmr n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jmr s ASP 3 N -3.28 5.31 0.94 0.00 1.01 -1.26 -5.01 116.67 114.39 2jmr s ASP 3 Ca 0.75 2.70 0.00 0.00 0.71 0.00 0.00 52.55 56.71 2jmr s ASP 3 Cb -0.41 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 40.89 2jmr s ASP 3 CO 0.92 -1.53 0.00 -1.54 0.21 0.00 0.00 175.17 173.23 2jmr n SER 4 N -1.04 -0.64 -3.89 0.27 3.41 -1.26 -5.04 113.62 105.43 2jmr n SER 4 Ca 0.10 -0.63 -0.30 0.00 -0.26 0.00 0.00 58.87 57.79 2jmr n SER 4 Cb 0.46 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.94 2.12 0.03 6.66 2.01 -1.26 -5.08 115.64 119.18 2jmr s THR 5 Ca 0.00 -2.85 0.05 0.00 0.31 0.00 0.00 61.69 59.20 2jmr s THR 5 Cb 0.00 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 2jmr s THR 5 CO 0.00 -0.78 -0.15 -0.63 -0.69 0.00 0.00 174.62 172.37 2jmr s ILE 6 N 0.18 1.15 0.00 1.82 1.09 -1.26 -4.69 121.20 119.50 2jmr s ILE 6 Ca 0.16 -0.91 0.00 0.00 -1.10 0.00 0.00 60.65 58.80 2jmr s ILE 6 Cb -0.24 -1.02 0.00 0.00 -1.06 0.00 0.00 42.46 40.14 2jmr s ILE 6 CO -0.03 0.10 0.00 0.41 -0.10 0.00 0.00 174.94 175.33 2jmr n THR 7 N 2.12 0.00 -2.70 2.92 -1.04 -1.26 -4.97 114.28 109.35 2jmr n THR 7 Ca -0.17 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.50 2jmr n THR 7 Cb 0.55 -0.33 -0.06 0.00 -1.82 0.00 0.00 70.33 68.67 2jmr n THR 7 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2jmr s ILE 8 N -1.82 4.10 0.67 12.58 1.01 -1.26 -4.92 121.20 131.56 2jmr s ILE 8 Ca 0.00 1.40 0.33 0.00 0.00 0.00 0.00 60.65 62.38 2jmr s ILE 8 Cb 0.00 -3.62 0.33 0.00 0.01 0.00 0.00 42.46 39.18 2jmr s ILE 8 CO 0.00 -0.19 2.01 0.03 0.00 0.00 0.00 174.94 176.79 2jmr h ARG 9 N 2.06 0.00 -1.97 2.79 3.08 -2.01 -2.99 114.38 115.34 2jmr h ARG 9 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2jmr h ARG 9 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2jmr h ARG 9 CO 0.61 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.92 2jmr n GLY 10 N -1.20 2.13 0.00 0.04 0.00 -1.26 -4.52 105.19 100.38 2jmr n GLY 10 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 2jmr n GLY 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jmr n TYR 11 N 1.55 0.00 -0.35 1.61 0.18 -1.13 -4.90 117.16 114.11 2jmr n TYR 11 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 2jmr n TYR 11 Cb 0.41 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.34 2jmr n TYR 11 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 2jmr n VAL 12 N -0.73 0.00 -1.63 -3.48 3.14 -1.26 -2.53 118.33 111.83 2jmr n VAL 12 Ca 0.11 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.49 2jmr n VAL 12 Cb 0.05 -0.12 -0.00 0.00 -1.06 0.00 0.00 33.84 32.71 2jmr n VAL 12 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2jmr n ARG 13 N 2.00 -0.52 0.02 1.45 0.00 -1.26 -4.49 116.66 113.87 2jmr n ARG 13 Ca 0.15 0.83 -0.12 0.00 -0.00 0.00 0.00 57.85 58.72 2jmr n ARG 13 Cb 0.01 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 30.90 2jmr n ARG 13 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2jmr h ASP 14 N 0.45 0.03 -2.75 6.15 3.58 -1.92 -2.32 116.42 119.64 2jmr h ASP 14 Ca -0.05 -0.10 -0.61 0.00 0.42 0.00 0.00 57.03 56.69 2jmr h ASP 14 Cb 0.11 -0.01 -0.42 0.00 1.72 0.00 0.00 39.33 40.74 2jmr h ASP 14 CO 0.00 0.12 -0.59 -0.46 -2.88 0.00 0.00 179.24 175.43 2jmr n ASN 15 N -5.02 3.20 0.00 2.28 0.23 -1.26 -2.50 115.26 112.19 2jmr n ASN 15 Ca -0.07 -3.28 0.00 0.00 -0.53 0.00 0.00 54.58 50.71 2jmr n ASN 15 Cb 0.08 -0.72 0.00 0.00 -2.08 0.00 0.00 39.78 37.05 2jmr n ASN 15 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jmr n GLY 16 N 1.57 0.39 3.54 4.83 0.00 -1.26 -4.69 105.19 109.58 2jmr n GLY 16 Ca 0.24 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.07 4.26 0.26 0.00 0.01 -0.71 -4.86 113.70 111.60 2jmr s SER 18 Ca 0.69 1.88 -0.29 0.00 1.31 0.00 0.00 55.95 59.53 2jmr s SER 18 Cb -0.48 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.13 2jmr s SER 18 CO 0.53 -2.20 1.13 0.54 0.41 0.00 0.00 173.24 173.65 2jmr s VAL 19 N -2.87 3.46 0.70 3.43 0.11 -1.26 -1.26 120.40 122.72 2jmr s VAL 19 Ca 0.62 1.42 -0.11 0.00 -2.93 0.00 0.00 61.98 60.98 2jmr s VAL 19 Cb -0.18 -3.91 0.01 0.00 -1.53 0.00 0.00 36.38 30.78 2jmr s VAL 19 CO 0.56 0.32 1.06 0.00 -3.33 0.00 0.00 175.10 173.72 2jmr s ALA 20 N -0.96 2.65 0.39 1.54 0.00 -1.06 -4.68 121.76 119.65 2jmr s ALA 20 Ca 0.46 0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.51 2jmr s ALA 20 Cb -0.32 -3.16 0.78 0.00 0.00 0.00 0.00 23.12 20.42 2jmr s ALA 20 CO 0.41 -1.26 2.01 0.00 0.00 0.00 0.00 175.76 176.93 2jmr h ALA 21 N -0.74 1.61 0.00 0.00 0.00 -1.85 0.94 119.26 119.22 2jmr h ALA 21 Ca -0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jmr h ALA 21 Cb 1.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jmr h ALA 21 CO 0.58 0.32 0.00 -0.85 0.00 0.00 0.00 179.25 179.30 2jmr n GLU 22 N -4.42 0.66 0.00 0.00 0.00 -1.26 -3.67 120.64 111.95 2jmr n GLU 22 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 2jmr n GLU 22 Cb 0.10 -1.17 0.00 0.00 0.00 0.00 0.00 31.44 30.37 2jmr n GLU 22 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2jmr n SER 23 N -0.16 0.10 -4.68 -1.84 7.64 -0.35 -4.78 113.62 109.56 2jmr n SER 23 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2jmr n SER 23 Cb 0.08 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.25 2jmr n SER 23 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jmr s THR 24 N -1.71 4.86 -1.16 0.44 -1.32 0.18 -4.04 115.64 112.89 2jmr s THR 24 Ca 0.00 1.75 0.00 0.00 -1.21 0.00 0.00 61.69 62.23 2jmr s THR 24 Cb 0.00 -4.19 0.00 0.00 -1.51 0.00 0.00 72.50 66.80 2jmr s THR 24 CO 0.00 0.03 0.00 0.59 -2.21 0.00 0.00 174.62 173.03 2jmr n ASN 25 N 5.10 -4.28 -4.24 8.08 5.03 -1.15 -4.71 115.26 119.10 2jmr n ASN 25 Ca 0.06 0.25 -0.28 0.00 0.87 0.00 0.00 54.58 55.48 2jmr n ASN 25 Cb 0.49 -2.81 0.17 0.00 -1.02 0.00 0.00 39.78 36.61 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 -2.42 1.53 0.10 3.10 -0.71 -1.25 -4.99 117.98 113.34 2jmr s PHE 26 Ca 0.00 0.15 0.06 0.00 -1.04 0.00 0.00 56.93 56.11 2jmr s PHE 26 Cb 0.00 -3.87 -0.03 0.00 -1.21 0.00 0.00 43.02 37.91 2jmr s PHE 26 CO 0.00 -2.46 -0.17 0.99 -1.34 0.00 0.00 175.22 172.24 2jmr s THR 27 N -3.72 1.40 -0.29 -4.49 2.01 -1.26 -3.90 115.64 105.39 2jmr s THR 27 Ca 0.73 -1.52 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 2jmr s THR 27 Cb -0.04 -1.38 0.09 0.00 0.01 0.00 0.00 72.50 71.18 2jmr s THR 27 CO 0.51 -0.22 0.09 -0.69 -0.69 0.00 0.00 174.62 173.62 2jmr s VAL 28 N -1.49 0.70 -0.29 3.82 1.01 0.14 -4.98 120.40 119.30 2jmr s VAL 28 Ca 0.04 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.73 2jmr s VAL 28 Cb -0.09 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2jmr s VAL 28 CO 0.03 -0.60 0.23 -1.81 0.00 0.00 0.00 175.10 172.95 2jmr s ASP 29 N 1.72 6.06 -0.24 3.32 1.01 -1.26 -0.44 116.67 126.84 2jmr s ASP 29 Ca 0.08 -0.04 -0.03 0.00 0.71 0.00 0.00 52.55 53.27 2jmr s ASP 29 Cb -0.17 -2.14 -0.14 0.00 1.01 0.00 0.00 42.92 41.48 2jmr s ASP 29 CO -0.24 -0.10 -0.25 0.18 0.21 0.00 0.00 175.17 174.97 2jmr n LEU 30 N 5.11 2.59 0.00 1.23 4.77 -1.08 -4.97 117.00 124.65 2jmr n LEU 30 Ca -0.13 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2jmr n LEU 30 Cb 0.51 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2jmr n LEU 30 CO 0.34 0.78 0.00 1.15 -1.33 0.00 0.00 177.39 178.33 2jmr n MET 31 N -3.49 -3.46 -2.42 3.23 0.00 -1.26 -5.10 117.12 104.62 2jmr n MET 31 Ca -0.44 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 56.96 2jmr n MET 31 Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 34.12 2jmr n MET 31 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2jmr s GLU 32 N -1.94 3.67 0.31 3.17 8.01 -1.26 -3.39 118.70 127.26 2jmr s GLU 32 Ca 0.00 0.53 0.11 0.00 0.01 0.00 0.00 54.97 55.62 2jmr s GLU 32 Cb 0.00 -2.25 -0.06 0.00 -4.31 0.00 0.00 34.13 27.51 2jmr s GLU 32 CO 0.00 -0.29 -0.14 -0.80 0.01 0.00 0.00 175.26 174.04 2jmr s ASN 33 N -3.77 3.69 0.01 -0.19 0.02 -0.08 -4.90 114.94 109.72 2jmr s ASN 33 Ca 0.52 -1.10 -0.04 0.00 -1.02 0.00 0.00 52.86 51.23 2jmr s ASN 33 Cb -0.10 -0.34 -0.04 0.00 0.02 0.00 0.00 41.25 40.78 2jmr s ASN 33 CO 0.43 -0.08 0.22 0.00 0.02 0.00 0.00 177.10 177.69 2jmr s ALA 34 N -2.55 3.92 0.33 0.60 0.00 -1.26 -0.12 121.76 122.68 2jmr s ALA 34 Ca 0.31 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.58 2jmr s ALA 34 Cb -0.02 -1.94 0.59 0.00 0.00 0.00 0.00 23.12 21.75 2jmr s ALA 34 CO 0.16 0.73 1.97 0.00 0.00 0.00 0.00 175.76 178.62 2jmr h ALA 35 N 3.73 1.54 -0.15 0.00 0.00 -0.43 -3.29 119.26 120.66 2jmr h ALA 35 Ca -0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2jmr h ALA 35 Cb 1.19 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2jmr h ALA 35 CO 0.69 0.39 0.00 0.36 0.00 0.00 0.00 179.25 180.69 2jmr n LYS 36 N -4.45 1.36 0.00 0.00 2.85 -1.26 -1.91 118.16 114.76 2jmr n LYS 36 Ca 0.09 -0.56 0.11 0.00 -1.05 0.00 0.00 58.31 56.90 2jmr n LYS 36 Cb 0.10 -1.16 0.11 0.00 -0.65 0.00 0.00 35.03 33.43 2jmr n LYS 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jmr n GLN 37 N -0.08 0.34 -2.25 -1.58 10.64 -1.24 -4.66 117.38 118.56 2jmr n GLN 37 Ca 0.07 -0.24 -0.39 0.00 -1.83 0.00 0.00 57.00 54.60 2jmr n GLN 37 Cb 0.14 -1.49 0.03 0.00 -0.86 0.00 0.00 30.24 28.06 2jmr n GLN 37 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2jmr n PHE 38 N -1.12 2.96 -0.68 2.61 3.72 -0.80 -4.66 117.46 119.50 2jmr n PHE 38 Ca 0.07 -2.50 0.09 0.00 -0.05 0.00 0.00 57.45 55.05 2jmr n PHE 38 Cb 0.36 -1.12 0.34 0.00 -0.94 0.00 0.00 39.48 38.13 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 -0.35 4.73 -3.65 4.37 6.94 -1.26 -4.28 115.26 121.75 2jmr n ASN 39 Ca 0.50 -2.55 0.03 0.00 -0.02 0.00 0.00 54.58 52.54 2jmr n ASN 39 Cb 0.27 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.12 2jmr n ASN 39 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2jmr s ASN 40 N -1.00 -0.02 0.06 0.53 2.20 -1.26 -4.90 114.94 110.54 2jmr s ASN 40 Ca 0.49 -0.07 0.25 0.00 -0.94 0.00 0.00 52.86 52.59 2jmr s ASN 40 Cb 0.33 0.07 0.54 0.00 -2.00 0.00 0.00 41.25 40.19 2jmr s ASN 40 CO 0.21 -0.14 1.45 -0.38 -2.94 0.00 0.00 177.10 175.31 2jmr n ILE 41 N -0.59 0.17 1.56 0.54 -0.00 -1.26 -2.91 119.36 116.86 2jmr n ILE 41 Ca -0.06 -0.12 0.14 0.00 -0.00 0.00 0.00 62.75 62.71 2jmr n ILE 41 Cb 0.62 -0.02 0.58 0.00 -0.00 0.00 0.00 39.64 40.82 2jmr n ILE 41 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2jmr n GLY 42 N 1.43 -0.16 3.55 7.39 0.00 -1.26 -4.68 105.19 111.46 2jmr n GLY 42 Ca 0.05 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 2jmr n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr s ALA 43 N -2.02 2.07 -0.26 4.61 0.00 -1.15 -4.91 121.76 120.10 2jmr s ALA 43 Ca 0.39 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.76 2jmr s ALA 43 Cb 0.21 -4.32 0.07 0.00 0.00 0.00 0.00 23.12 19.07 2jmr s ALA 43 CO 0.35 -4.03 -0.05 0.99 0.00 0.00 0.00 175.76 173.02 2jmr s THR 44 N 9.57 1.77 0.85 0.00 2.01 -1.26 -2.15 115.64 126.43 2jmr s THR 44 Ca 0.71 -1.49 -0.10 0.00 0.31 0.00 0.00 61.69 61.12 2jmr s THR 44 Cb -0.13 -2.04 0.11 0.00 0.01 0.00 0.00 72.50 70.45 2jmr s THR 44 CO 0.20 -0.17 1.12 0.42 -0.69 0.00 0.00 174.62 175.50 2jmr s THR 45 N 1.26 2.67 -0.55 -0.82 -4.23 -1.25 -4.89 115.64 107.83 2jmr s THR 45 Ca -0.04 0.22 -0.26 0.00 -1.18 0.00 0.00 61.69 60.43 2jmr s THR 45 Cb -0.19 -2.47 -0.09 0.00 1.34 0.00 0.00 72.50 71.09 2jmr s THR 45 CO -0.07 -0.28 2.43 -2.65 -0.54 0.00 0.00 174.62 173.50 2jmr n PRO 46 N -3.90 0.93 -1.63 3.99 -0.02 -1.26 -4.91 135.00 128.20 2jmr n PRO 46 Ca 0.10 -0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.04 2jmr n PRO 46 Cb 0.53 -3.41 0.00 0.00 -0.02 0.00 0.00 33.50 30.60 2jmr n PRO 46 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2jmr n VAL 47 N 8.09 2.31 -2.82 -1.45 0.24 -1.26 -4.95 118.33 118.48 2jmr n VAL 47 Ca 0.40 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.79 2jmr n VAL 47 Cb 0.51 -1.22 -0.05 0.00 -1.47 0.00 0.00 33.84 31.61 2jmr n VAL 47 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2jmr s VAL 48 N -1.21 4.34 -0.04 3.34 0.11 0.28 -4.91 120.40 122.30 2jmr s VAL 48 Ca 0.61 1.95 -0.30 0.00 -2.93 0.00 0.00 61.98 61.31 2jmr s VAL 48 Cb -0.58 -4.26 -0.05 0.00 -1.53 0.00 0.00 36.38 29.96 2jmr s VAL 48 CO 0.58 0.44 1.56 -2.16 -3.33 0.00 0.00 175.10 172.19 2jmr s PRO 49 N -0.71 4.21 0.21 1.54 0.04 -1.26 -2.36 135.00 136.67 2jmr s PRO 49 Ca 0.41 2.10 0.07 0.00 0.04 0.00 0.00 61.00 63.61 2jmr s PRO 49 Cb -0.24 -3.84 -0.05 0.00 0.04 0.00 0.00 34.50 30.41 2jmr s PRO 49 CO 0.29 -0.77 -0.11 0.12 0.04 0.00 0.00 177.00 176.58 2jmr s PHE 50 N 3.52 1.68 -0.19 0.56 5.36 -0.25 -4.94 117.98 123.71 2jmr s PHE 50 Ca 0.69 -0.66 -0.14 0.00 -0.96 0.00 0.00 56.93 55.86 2jmr s PHE 50 Cb -0.32 -0.85 0.06 0.00 -0.34 0.00 0.00 43.02 41.57 2jmr s PHE 50 CO 0.27 0.26 0.49 -0.98 -1.46 0.00 0.00 175.22 173.80 2jmr s ARG 51 N -3.70 0.52 0.47 10.12 1.04 -1.26 -1.71 118.95 124.43 2jmr s ARG 51 Ca 0.24 0.81 -0.22 0.00 -1.04 0.00 0.00 55.73 55.52 2jmr s ARG 51 Cb 0.01 0.13 -0.07 0.00 -2.04 0.00 0.00 34.95 32.98 2jmr s ARG 51 CO 0.07 -0.12 1.11 0.42 -0.04 0.00 0.00 175.30 176.75 2jmr s ILE 52 N 0.96 3.35 -0.13 4.99 1.09 -1.26 -4.99 121.20 125.21 2jmr s ILE 52 Ca -0.06 0.94 0.03 0.00 -1.10 0.00 0.00 60.65 60.46 2jmr s ILE 52 Cb -0.06 -3.44 0.01 0.00 -1.06 0.00 0.00 42.46 37.91 2jmr s ILE 52 CO -0.08 -0.08 -0.21 -0.22 -0.10 0.00 0.00 174.94 174.25 2jmr s LEU 53 N -3.22 2.03 -0.23 2.97 0.20 -1.26 -3.89 118.68 115.28 2jmr s LEU 53 Ca 0.65 -0.56 -0.03 0.00 0.69 0.00 0.00 54.13 54.88 2jmr s LEU 53 Cb -0.24 -1.36 -0.00 0.00 -0.43 0.00 0.00 46.19 44.16 2jmr s LEU 53 CO 0.29 0.08 -0.05 -0.76 -0.29 0.00 0.00 176.35 175.62 2jmr s LEU 54 N 0.76 2.93 0.08 -0.68 2.01 -1.15 -2.55 118.68 120.09 2jmr s LEU 54 Ca -0.09 -0.49 -0.27 0.00 0.01 0.00 0.00 54.13 53.29 2jmr s LEU 54 Cb -0.16 -1.72 0.08 0.00 0.01 0.00 0.00 46.19 44.40 2jmr s LEU 54 CO 0.00 -0.04 0.91 -0.44 1.01 0.00 0.00 176.35 177.79 2jmr s SER 55 N 1.45 -0.28 0.83 2.29 0.01 -0.39 -3.61 113.70 114.00 2jmr s SER 55 Ca 0.05 -0.21 -0.12 0.00 1.31 0.00 0.00 55.95 56.98 2jmr s SER 55 Cb -0.15 0.45 0.09 0.00 0.21 0.00 0.00 66.02 66.62 2jmr s SER 55 CO -0.04 -0.78 1.13 -2.16 0.41 0.00 0.00 173.24 171.80 2jmr s PRO 56 N -3.24 1.81 0.27 12.44 0.04 -1.26 -2.96 135.00 142.10 2jmr s PRO 56 Ca 0.08 0.37 0.03 0.00 0.04 0.00 0.00 61.00 61.52 2jmr s PRO 56 Cb -0.01 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 2jmr s PRO 56 CO -0.03 -1.75 0.04 0.00 0.04 0.00 0.00 177.00 175.30 2jmr n GLY 58 N -0.51 2.24 0.13 0.00 0.00 -0.87 -4.34 105.19 101.83 2jmr n GLY 58 Ca -0.03 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 43.95 2jmr n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jmr n ASN 59 N 0.00 2.01 -3.61 1.61 4.13 -1.16 -1.45 115.26 116.78 2jmr n ASN 59 Ca 0.00 0.07 -0.41 0.00 1.68 0.00 0.00 54.58 55.92 2jmr n ASN 59 Cb 0.00 -0.64 -0.01 0.00 -1.54 0.00 0.00 39.78 37.59 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jmr n ALA 60 N -3.34 6.26 -4.06 5.41 0.00 -1.04 -4.60 120.51 119.14 2jmr n ALA 60 Ca -0.42 -3.97 -0.32 0.00 0.00 0.00 0.00 53.44 48.73 2jmr n ALA 60 Cb 0.97 -3.18 -0.15 0.00 0.00 0.00 0.00 19.45 17.09 2jmr n ALA 60 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jmr s VAL 61 N 1.20 2.18 0.00 0.00 1.01 -1.26 -4.02 120.40 119.52 2jmr s VAL 61 Ca 0.52 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.76 2jmr s VAL 61 Cb 0.15 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 34.19 2jmr s VAL 61 CO -0.06 -0.11 0.02 -1.20 0.00 0.00 0.00 175.10 173.75 2jmr n SER 62 N 4.40 0.00 -3.49 3.32 7.64 -1.26 -3.98 113.62 120.25 2jmr n SER 62 Ca -0.11 0.02 -0.10 0.00 1.01 0.00 0.00 58.87 59.68 2jmr n SER 62 Cb 0.42 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.60 2jmr n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr s ALA 63 N -3.85 -1.62 0.33 -0.43 0.00 -1.26 -0.68 121.76 114.25 2jmr s ALA 63 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.52 2jmr s ALA 63 Cb 0.00 0.76 -0.06 0.00 0.00 0.00 0.00 23.12 23.83 2jmr s ALA 63 CO 0.00 -0.79 0.07 0.14 0.00 0.00 0.00 175.76 175.18 2jmr s VAL 64 N -3.60 1.06 0.30 0.00 -7.23 -1.26 -4.12 120.40 105.55 2jmr s VAL 64 Ca 0.03 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.31 2jmr s VAL 64 Cb -0.01 -2.72 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 2jmr s VAL 64 CO -0.10 0.00 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.02 2jmr s LYS 65 N -3.89 1.81 -0.39 4.82 3.01 -0.51 -3.34 119.74 121.25 2jmr s LYS 65 Ca 0.35 -1.78 0.09 0.00 -1.01 0.00 0.00 55.97 53.62 2jmr s LYS 65 Cb 0.08 -1.81 0.27 0.00 -1.01 0.00 0.00 37.83 35.36 2jmr s LYS 65 CO 0.15 0.27 0.57 1.55 0.51 0.00 0.00 175.35 178.40 2jmr n VAL 66 N -0.72 -0.58 -2.80 3.17 3.14 -1.26 -1.37 118.33 117.90 2jmr n VAL 66 Ca -0.05 -4.06 -0.43 0.00 -2.96 0.00 0.00 64.34 56.84 2jmr n VAL 66 Cb 0.61 -1.55 -0.04 0.00 -1.06 0.00 0.00 33.84 31.80 2jmr n VAL 66 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2jmr s GLY 67 N -1.43 1.41 0.04 7.55 0.00 -0.90 -4.87 107.32 109.13 2jmr s GLY 67 Ca 0.36 -0.99 -0.30 0.00 0.00 0.00 0.00 44.72 43.79 2jmr s GLY 67 CO -0.11 2.09 1.01 -1.36 0.00 0.00 0.00 173.10 174.73 2jmr s PHE 68 N 3.96 3.66 0.00 1.90 0.40 -1.26 -1.45 117.98 125.19 2jmr s PHE 68 Ca 0.35 1.67 0.01 0.00 -0.60 0.00 0.00 56.93 58.35 2jmr s PHE 68 Cb -0.11 -3.15 -0.01 0.00 0.51 0.00 0.00 43.02 40.26 2jmr s PHE 68 CO 0.23 -0.16 -0.04 0.95 0.70 0.00 0.00 175.22 176.90 2jmr s THR 69 N 0.72 0.32 0.00 0.64 -4.23 -0.52 -1.96 115.64 110.61 2jmr s THR 69 Ca 0.52 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 2jmr s THR 69 Cb -0.23 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.31 2jmr s THR 69 CO 0.29 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 2jmr n GLY 70 N 2.77 -0.77 3.66 3.99 0.00 -1.26 -1.39 105.19 112.19 2jmr n GLY 70 Ca -0.14 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.00 3.98 0.51 1.61 1.01 -1.26 -4.85 120.40 119.40 2jmr s VAL 71 Ca 0.00 1.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.99 2jmr s VAL 71 Cb 0.00 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 2jmr s VAL 71 CO 0.00 -0.11 0.99 0.00 0.00 0.00 0.00 175.10 175.98 2jmr s ALA 72 N 3.74 3.01 -0.13 5.51 0.00 -1.26 -0.55 121.76 132.08 2jmr s ALA 72 Ca 0.63 0.26 -0.24 0.00 0.00 0.00 0.00 51.96 52.61 2jmr s ALA 72 Cb -0.27 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2jmr s ALA 72 CO 0.21 -0.25 0.74 0.34 0.00 0.00 0.00 175.76 176.80 2jmr s ASP 73 N -2.84 6.92 0.55 0.00 -1.08 -0.16 -4.36 116.67 115.69 2jmr s ASP 73 Ca 0.60 1.11 0.26 0.00 -0.52 0.00 0.00 52.55 54.01 2jmr s ASP 73 Cb -0.11 -2.42 1.44 0.00 -1.46 0.00 0.00 42.92 40.38 2jmr s ASP 73 CO 0.29 -0.27 2.00 0.28 0.52 0.00 0.00 175.17 177.99 2jmr h SER 74 N 7.15 0.00 0.63 -0.34 0.02 -1.96 -1.98 113.55 117.07 2jmr h SER 74 Ca -0.34 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.40 2jmr h SER 74 Cb 1.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2jmr h SER 74 CO 0.79 0.00 -0.95 0.45 -1.14 0.00 0.00 176.83 175.98 2jmr h HIS 75 N 0.00 0.31 -1.30 3.45 3.86 -1.94 -3.41 115.15 116.11 2jmr h HIS 75 Ca 0.23 -0.18 -0.15 0.00 -1.16 0.00 0.00 60.37 59.11 2jmr h HIS 75 Cb 0.98 -0.03 -0.23 0.00 1.06 0.00 0.00 27.41 29.19 2jmr h HIS 75 CO 0.00 1.03 -0.52 1.21 0.86 0.00 0.00 177.93 180.52 2jmr s ASN 76 N -6.95 -0.69 0.00 2.45 3.84 -0.78 -5.05 114.94 107.75 2jmr s ASN 76 Ca -0.03 -0.96 0.14 0.00 0.21 0.00 0.00 52.86 52.23 2jmr s ASN 76 Cb 0.10 1.53 0.86 0.00 -0.55 0.00 0.00 41.25 43.19 2jmr s ASN 76 CO 0.84 -0.21 1.30 0.00 -2.79 0.00 0.00 177.10 176.24 2jmr n ALA 77 N 4.44 2.18 1.15 1.71 0.00 -0.95 -0.78 120.51 128.27 2jmr n ALA 77 Ca 0.10 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.58 2jmr n ALA 77 Cb 0.53 -1.23 0.38 0.00 0.00 0.00 0.00 19.45 19.12 2jmr n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jmr n ASN 78 N -0.88 0.66 -4.87 0.00 3.02 -1.26 -4.42 115.26 107.51 2jmr n ASN 78 Ca 0.11 -0.49 -0.36 0.00 -0.03 0.00 0.00 54.58 53.81 2jmr n ASN 78 Cb 0.05 0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.27 2jmr n ASN 78 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jmr s LEU 79 N -2.73 4.40 -0.17 3.41 2.01 0.04 -4.39 118.68 121.24 2jmr s LEU 79 Ca 0.19 0.65 -0.27 0.00 0.01 0.00 0.00 54.13 54.71 2jmr s LEU 79 Cb 0.19 -2.55 -0.01 0.00 0.01 0.00 0.00 46.19 43.83 2jmr s LEU 79 CO 0.59 0.29 0.92 -0.22 1.01 0.00 0.00 176.35 178.94 2jmr s LEU 80 N -1.47 4.17 1.16 1.79 2.96 -0.32 -0.99 118.68 125.98 2jmr s LEU 80 Ca 0.24 1.29 -0.17 0.00 -0.22 0.00 0.00 54.13 55.28 2jmr s LEU 80 Cb -0.14 -3.37 0.27 0.00 0.50 0.00 0.00 46.19 43.45 2jmr s LEU 80 CO 0.13 -0.48 1.07 0.00 -1.32 0.00 0.00 176.35 175.75 2jmr s ALA 81 N 2.41 0.38 0.59 5.97 0.00 0.28 -0.22 121.76 131.17 2jmr s ALA 81 Ca 0.41 -0.65 0.10 0.00 0.00 0.00 0.00 51.96 51.82 2jmr s ALA 81 Cb -0.16 -3.01 0.09 0.00 0.00 0.00 0.00 23.12 20.03 2jmr s ALA 81 CO 0.12 -3.52 0.79 -0.51 0.00 0.00 0.00 175.76 172.64 2jmr s LEU 82 N -6.94 3.04 0.31 0.00 1.02 -1.26 -4.67 118.68 110.18 2jmr s LEU 82 Ca 0.68 -0.90 0.11 0.00 0.02 0.00 0.00 54.13 54.04 2jmr s LEU 82 Cb -0.15 -1.53 0.58 0.00 0.02 0.00 0.00 46.19 45.11 2jmr s LEU 82 CO 0.58 -1.38 1.20 -1.84 0.02 0.00 0.00 176.35 174.93 2jmr n GLU 83 N -2.26 0.08 -0.98 1.70 0.28 -0.74 -4.82 120.64 113.89 2jmr n GLU 83 Ca 0.16 0.54 0.00 0.00 -0.16 0.00 0.00 57.16 57.70 2jmr n GLU 83 Cb 0.62 -2.10 0.00 0.00 1.43 0.00 0.00 31.44 31.39 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 -1.97 -4.50 -4.80 -1.84 5.15 -1.26 -4.97 115.26 101.07 2jmr n ASN 84 Ca -0.01 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.68 2jmr n ASN 84 Cb 0.37 -2.27 0.11 0.00 -0.53 0.00 0.00 39.78 37.45 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 -1.44 2.00 0.53 -0.44 -1.32 -1.26 -4.89 115.64 108.82 2jmr s THR 85 Ca 0.00 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.71 2jmr s THR 85 Cb 0.00 -2.96 0.23 0.00 -1.51 0.00 0.00 72.50 68.26 2jmr s THR 85 CO 0.00 0.00 1.70 1.62 -2.21 0.00 0.00 174.62 175.73 2jmr h VAL 86 N -1.19 0.00 0.00 5.08 3.04 -2.01 -1.17 116.25 120.01 2jmr h VAL 86 Ca -0.46 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.22 2jmr h VAL 86 Cb 1.32 0.52 -0.02 0.00 -2.01 0.00 0.00 31.29 31.10 2jmr h VAL 86 CO 0.62 0.00 -0.45 -1.20 -1.01 0.00 0.00 177.57 175.53 2jmr n SER 87 N -2.67 0.45 -4.85 3.17 7.64 -1.26 -5.05 113.62 111.04 2jmr n SER 87 Ca -0.02 -2.19 -0.30 0.00 1.01 0.00 0.00 58.87 57.38 2jmr n SER 87 Cb 0.43 -0.25 0.08 0.00 -1.01 0.00 0.00 64.21 63.47 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 -0.49 2.46 0.60 -0.43 0.00 -0.44 -2.39 121.76 121.06 2jmr s ALA 88 Ca 0.07 -0.41 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 2jmr s ALA 88 Cb 0.07 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 2jmr s ALA 88 CO -0.01 -1.63 1.16 0.00 0.00 0.00 0.00 175.76 175.28 2jmr s ALA 89 N -3.34 2.56 0.20 0.00 0.00 -1.25 -4.70 121.76 115.23 2jmr s ALA 89 Ca 0.61 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 53.29 2jmr s ALA 89 Cb -0.13 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 2jmr s ALA 89 CO 0.52 -1.08 0.54 -1.12 0.00 0.00 0.00 175.76 174.62 2jmr s SER 90 N -1.89 6.68 -1.50 0.00 0.01 -1.26 -4.67 113.70 111.06 2jmr s SER 90 Ca 0.73 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.95 2jmr s SER 90 Cb -0.26 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2jmr s SER 90 CO 0.33 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.58 2jmr n GLY 91 N 0.18 0.36 2.64 3.44 0.00 -1.26 -4.75 105.19 105.80 2jmr n GLY 91 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.54 3.06 -4.74 0.99 4.77 -1.26 -0.93 117.00 116.35 2jmr n LEU 92 Ca -0.18 -5.42 -0.37 0.00 -0.03 0.00 0.00 56.01 50.01 2jmr n LEU 92 Cb 0.59 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.67 2jmr n LEU 92 CO 0.23 2.33 0.91 -0.83 -1.33 0.00 0.00 177.39 178.70 2jmr s GLY 93 N -3.05 2.84 0.31 -0.72 0.00 -1.04 -4.66 107.32 101.00 2jmr s GLY 93 Ca 0.45 1.20 -0.29 0.00 0.00 0.00 0.00 44.72 46.08 2jmr s GLY 93 CO -0.12 1.64 1.32 -0.42 0.00 0.00 0.00 173.10 175.52 2jmr s ILE 94 N -1.41 2.79 -0.23 0.90 -1.09 0.69 -0.65 121.20 122.18 2jmr s ILE 94 Ca 0.79 0.76 0.01 0.00 -2.23 0.00 0.00 60.65 59.98 2jmr s ILE 94 Cb -0.37 -3.48 0.06 0.00 -1.58 0.00 0.00 42.46 37.09 2jmr s ILE 94 CO 0.40 0.17 -0.08 -1.58 -1.23 0.00 0.00 174.94 172.62 2jmr s GLN 95 N -1.42 1.87 -0.08 2.79 0.74 0.31 -1.17 119.66 122.70 2jmr s GLN 95 Ca 0.51 -1.06 0.03 0.00 0.05 0.00 0.00 55.36 54.89 2jmr s GLN 95 Cb -0.39 -2.64 -0.02 0.00 1.10 0.00 0.00 33.01 31.06 2jmr s GLN 95 CO 0.50 -0.56 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.00 2jmr s LEU 96 N 1.31 2.52 0.11 3.68 2.01 -1.26 -0.50 118.68 126.55 2jmr s LEU 96 Ca -0.06 -0.34 0.05 0.00 0.01 0.00 0.00 54.13 53.79 2jmr s LEU 96 Cb -0.19 -1.52 -0.04 0.00 0.01 0.00 0.00 46.19 44.46 2jmr s LEU 96 CO -0.06 0.25 -0.13 -0.76 1.01 0.00 0.00 176.35 176.67 2jmr s LEU 97 N -0.20 2.39 0.80 1.79 2.01 -0.60 -4.08 118.68 120.78 2jmr s LEU 97 Ca -0.01 -0.79 -0.12 0.00 0.01 0.00 0.00 54.13 53.22 2jmr s LEU 97 Cb -0.13 -0.46 0.07 0.00 0.01 0.00 0.00 46.19 45.68 2jmr s LEU 97 CO 0.03 -0.18 1.16 0.54 1.01 0.00 0.00 176.35 178.92 2jmr s ASN 98 N -2.37 4.61 0.08 2.29 6.03 -1.25 -0.85 114.94 123.48 2jmr s ASN 98 Ca 0.06 0.85 -0.02 0.00 -1.03 0.00 0.00 52.86 52.72 2jmr s ASN 98 Cb -0.05 -1.39 0.13 0.00 -3.03 0.00 0.00 41.25 36.91 2jmr s ASN 98 CO 0.02 -1.84 0.46 1.21 -2.03 0.00 0.00 177.10 174.91 2jmr n GLU 99 N -3.29 -0.03 0.00 3.55 0.00 -0.60 0.00 120.64 120.27 2jmr n GLU 99 Ca 0.08 0.46 0.04 0.00 0.00 0.00 0.00 57.16 57.74 2jmr n GLU 99 Cb 0.60 -0.68 0.25 0.00 0.00 0.00 0.00 31.44 31.61 2jmr n GLU 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2jmr n GLN 100 N -4.48 0.47 -2.08 5.31 6.02 -1.26 -4.80 117.38 116.55 2jmr n GLN 100 Ca 0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.88 2jmr n GLN 100 Cb 0.15 -1.29 -0.03 0.00 1.02 0.00 0.00 30.24 30.09 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 -0.79 -1.78 -3.27 -1.09 6.02 0.10 -4.96 117.38 111.61 2jmr n GLN 101 Ca 0.06 0.81 -0.36 0.00 -0.01 0.00 0.00 57.00 57.50 2jmr n GLN 101 Cb 0.03 -5.32 -0.06 0.00 1.02 0.00 0.00 30.24 25.91 2jmr n GLN 101 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2jmr s ASN 102 N -2.14 6.94 -1.17 1.08 3.84 -1.23 -4.92 114.94 117.34 2jmr s ASN 102 Ca 0.00 1.21 -0.21 0.00 0.21 0.00 0.00 52.86 54.07 2jmr s ASN 102 Cb 0.00 -2.34 -0.05 0.00 -0.55 0.00 0.00 41.25 38.31 2jmr s ASN 102 CO 0.00 0.13 1.90 1.67 -2.79 0.00 0.00 177.10 178.00 2jmr n GLN 103 N 1.00 2.06 -1.66 0.43 7.27 -1.26 -3.75 117.38 121.47 2jmr n GLN 103 Ca -0.06 -2.60 -0.42 0.00 0.07 0.00 0.00 57.00 53.99 2jmr n GLN 103 Cb 0.51 -3.54 -0.03 0.00 2.41 0.00 0.00 30.24 29.59 2jmr n GLN 103 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 2jmr s ILE 104 N 8.10 3.03 0.42 1.69 2.07 -1.26 -4.91 121.20 130.35 2jmr s ILE 104 Ca 0.62 0.04 -0.26 0.00 -1.41 0.00 0.00 60.65 59.64 2jmr s ILE 104 Cb 0.03 -3.03 -0.09 0.00 0.13 0.00 0.00 42.46 39.51 2jmr s ILE 104 CO 0.11 -0.01 1.34 -2.16 -1.91 0.00 0.00 174.94 172.30 2jmr s PRO 105 N 5.11 3.89 0.67 3.50 0.04 -1.26 -4.89 135.00 142.06 2jmr s PRO 105 Ca 0.92 2.22 -0.16 0.00 0.04 0.00 0.00 61.00 64.02 2jmr s PRO 105 Cb -0.39 -2.73 0.01 0.00 0.04 0.00 0.00 34.50 31.43 2jmr s PRO 105 CO 0.39 -0.58 1.18 -0.51 0.04 0.00 0.00 177.00 177.52 2jmr s LEU 106 N -2.51 3.44 -1.50 -3.56 1.02 -1.26 -4.16 118.68 110.15 2jmr s LEU 106 Ca 0.58 2.26 -0.13 0.00 0.02 0.00 0.00 54.13 56.86 2jmr s LEU 106 Cb -0.39 -4.58 0.07 0.00 0.02 0.00 0.00 46.19 41.31 2jmr s LEU 106 CO 0.51 -1.88 0.96 0.59 0.02 0.00 0.00 176.35 176.55 2jmr n ASN 107 N -2.29 -5.03 -4.87 2.29 3.02 -0.83 -4.91 115.26 102.63 2jmr n ASN 107 Ca 0.13 -0.70 -0.22 0.00 -0.03 0.00 0.00 54.58 53.75 2jmr n ASN 107 Cb 0.51 -4.01 -0.04 0.00 -0.61 0.00 0.00 39.78 35.63 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 -3.27 3.70 0.29 5.41 0.00 -1.26 -5.10 121.76 121.53 2jmr s ALA 108 Ca 0.63 -1.34 -0.28 0.00 0.00 0.00 0.00 51.96 50.96 2jmr s ALA 108 Cb -0.31 -1.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.27 2jmr s ALA 108 CO 0.78 0.27 1.01 -1.25 0.00 0.00 0.00 175.76 176.56 2jmr s PRO 109 N -3.84 4.64 0.54 0.00 0.04 -1.26 -4.94 135.00 130.19 2jmr s PRO 109 Ca 0.33 1.57 0.34 0.00 0.04 0.00 0.00 61.00 63.28 2jmr s PRO 109 Cb -0.08 -3.06 1.51 0.00 0.04 0.00 0.00 34.50 32.90 2jmr s PRO 109 CO 0.26 0.28 1.85 1.03 0.04 0.00 0.00 177.00 180.46 2jmr h SER 110 N 3.63 0.00 -0.08 6.66 0.87 -1.99 -1.25 113.55 121.39 2jmr h SER 110 Ca -0.46 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.12 2jmr h SER 110 Cb 1.20 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2jmr h SER 110 CO 0.66 0.00 0.62 0.77 -0.53 0.00 0.00 176.83 178.36 2jmr h SER 111 N 0.00 0.00 0.31 6.23 4.64 -2.04 -1.73 113.55 120.96 2jmr h SER 111 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2jmr h SER 111 Cb 1.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.03 2jmr h SER 111 CO -0.01 0.00 -0.70 0.00 -0.87 0.00 0.00 176.83 175.26 2jmr n ALA 112 N -1.80 4.02 -2.71 5.18 0.00 -0.47 -5.01 120.51 119.72 2jmr n ALA 112 Ca 0.01 -0.45 -0.09 0.00 0.00 0.00 0.00 53.44 52.91 2jmr n ALA 112 Cb 0.67 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.01 1.01 0.24 0.00 -0.00 -0.65 -4.97 118.68 111.30 2jmr s LEU 113 Ca 0.10 -0.76 -0.22 0.00 -0.00 0.00 0.00 54.13 53.25 2jmr s LEU 113 Cb 0.17 1.23 0.05 0.00 -0.00 0.00 0.00 46.19 47.64 2jmr s LEU 113 CO 0.77 -0.85 0.87 -0.44 -0.00 0.00 0.00 176.35 176.70 2jmr s SER 114 N -2.93 -0.14 0.00 1.48 0.01 -1.26 -4.83 113.70 106.03 2jmr s SER 114 Ca 0.13 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2jmr s SER 114 Cb 0.03 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.89 2jmr s SER 114 CO -0.04 -1.19 0.00 1.87 0.41 0.00 0.00 173.24 174.29 2jmr n TRP 115 N -0.52 0.00 -3.75 2.43 -0.00 -1.21 -4.82 117.44 109.56 2jmr n TRP 115 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.41 2jmr n TRP 115 Cb 0.60 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.93 2jmr n TRP 115 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 177.69 175.32 2jmr n THR 116 N 0.00 0.00 -1.52 5.87 5.66 -1.26 -4.99 114.28 118.04 2jmr n THR 116 Ca 0.00 -0.52 -0.40 0.00 -3.05 0.00 0.00 64.05 60.09 2jmr n THR 116 Cb 0.00 0.64 -0.09 0.00 -1.55 0.00 0.00 70.33 69.33 2jmr n THR 116 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2jmr n THR 117 N -0.53 -0.03 -1.90 1.09 -1.04 -1.25 -4.16 114.28 106.46 2jmr n THR 117 Ca -0.03 -0.37 -0.41 0.00 -2.04 0.00 0.00 64.05 61.20 2jmr n THR 117 Cb 0.46 -1.59 -0.03 0.00 -1.82 0.00 0.00 70.33 67.35 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 10.32 3.43 -0.04 -4.42 2.01 0.14 -4.95 118.68 125.17 2jmr s LEU 118 Ca 1.18 1.10 -0.38 0.00 0.01 0.00 0.00 54.13 56.03 2jmr s LEU 118 Cb -0.76 -3.13 -0.17 0.00 0.01 0.00 0.00 46.19 42.14 2jmr s LEU 118 CO 0.39 -2.07 1.42 0.41 1.01 0.00 0.00 176.35 177.52 2jmr n THR 119 N 7.48 0.08 -1.42 5.49 -1.04 -1.26 -4.60 114.28 119.00 2jmr n THR 119 Ca 0.25 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.91 2jmr n THR 119 Cb 0.49 -0.81 0.09 0.00 -1.82 0.00 0.00 70.33 68.28 2jmr n THR 119 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2jmr s PRO 120 N 1.31 2.14 -0.46 -2.82 0.04 -1.26 -3.93 135.00 130.01 2jmr s PRO 120 Ca 0.90 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2jmr s PRO 120 Cb -1.04 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 31.66 2jmr s PRO 120 CO 0.54 -1.83 0.00 0.41 0.04 0.00 0.00 177.00 176.17 2jmr n GLY 121 N 0.29 -0.34 3.23 0.56 0.00 -0.53 -4.90 105.19 103.50 2jmr n GLY 121 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 2jmr n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmr s LYS 122 N -4.61 1.14 0.00 1.61 3.01 -1.25 -4.84 119.74 114.81 2jmr s LYS 122 Ca 0.00 -1.57 0.06 0.00 -1.01 0.00 0.00 55.97 53.45 2jmr s LYS 122 Cb 0.00 -0.10 0.39 0.00 -1.01 0.00 0.00 37.83 37.10 2jmr s LYS 122 CO 0.00 -0.22 0.82 -0.35 0.51 0.00 0.00 175.35 176.11 2jmr n PRO 123 N -0.26 0.43 -1.61 -1.68 -0.04 -1.26 -4.59 135.00 125.99 2jmr n PRO 123 Ca -0.04 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.30 2jmr n PRO 123 Cb 0.64 -1.23 -0.04 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.73 -3.22 -4.70 3.54 5.03 -1.24 -2.92 115.26 111.02 2jmr n ASN 124 Ca 0.05 0.27 -0.42 0.00 0.87 0.00 0.00 54.58 55.35 2jmr n ASN 124 Cb 0.02 -2.98 -0.03 0.00 -1.02 0.00 0.00 39.78 35.77 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 -2.13 3.18 0.21 3.41 2.01 -1.26 -4.68 115.64 116.39 2jmr s THR 125 Ca 0.00 0.74 0.03 0.00 0.31 0.00 0.00 61.69 62.77 2jmr s THR 125 Cb 0.00 -3.48 0.03 0.00 0.01 0.00 0.00 72.50 69.06 2jmr s THR 125 CO 0.00 0.03 0.21 -0.11 -0.69 0.00 0.00 174.62 174.06 2jmr n LEU 126 N 4.75 0.00 -4.12 4.42 -0.00 -1.25 -5.11 117.00 115.70 2jmr n LEU 126 Ca 0.14 -1.05 -0.33 0.00 -0.00 0.00 0.00 56.01 54.77 2jmr n LEU 126 Cb 0.41 -0.07 -0.16 0.00 -0.00 0.00 0.00 43.42 43.61 2jmr n LEU 126 CO 0.60 -0.45 -0.50 0.20 -0.00 0.00 0.00 177.39 177.24 2jmr s ASN 127 N -2.28 3.59 0.23 1.96 0.01 -1.26 -4.68 114.94 112.50 2jmr s ASN 127 Ca 0.16 -0.85 -0.01 0.00 -0.71 0.00 0.00 52.86 51.44 2jmr s ASN 127 Cb -0.01 -1.52 -0.03 0.00 0.41 0.00 0.00 41.25 40.10 2jmr s ASN 127 CO 0.10 -0.06 0.21 -0.36 -1.51 0.00 0.00 177.10 175.48 2jmr s PHE 128 N 1.25 1.16 0.12 2.20 0.08 -0.69 -1.56 117.98 120.54 2jmr s PHE 128 Ca 0.01 -1.35 -0.02 0.00 0.12 0.00 0.00 56.93 55.69 2jmr s PHE 128 Cb -0.15 -0.48 -0.03 0.00 -0.57 0.00 0.00 43.02 41.78 2jmr s PHE 128 CO -0.10 -0.74 0.08 0.71 -0.10 0.00 0.00 175.22 175.07 2jmr s TYR 129 N -3.98 0.72 -0.11 0.36 2.02 -0.03 -1.09 117.35 115.23 2jmr s TYR 129 Ca 0.37 -1.12 -0.19 0.00 -0.37 0.00 0.00 57.07 55.76 2jmr s TYR 129 Cb 0.05 -0.39 0.04 0.00 -0.40 0.00 0.00 41.96 41.26 2jmr s TYR 129 CO 0.15 -0.52 0.47 0.00 -1.57 0.00 0.00 175.55 174.07 2jmr s ALA 130 N -4.01 -1.19 0.00 3.71 0.00 -1.00 -1.56 121.76 117.71 2jmr s ALA 130 Ca 0.20 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2jmr s ALA 130 Cb 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.79 2jmr s ALA 130 CO -0.01 -0.27 0.00 -2.13 0.00 0.00 0.00 175.76 173.36 2jmr n ARG 131 N 2.02 0.00 -3.82 0.00 3.00 0.34 -0.56 116.66 117.64 2jmr n ARG 131 Ca -0.17 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.47 2jmr n ARG 131 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.00 2jmr n ARG 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2jmr s LEU 132 N 0.00 3.86 -0.05 6.15 2.96 -1.26 -0.53 118.68 129.81 2jmr s LEU 132 Ca 0.00 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 2jmr s LEU 132 Cb 0.00 -2.48 0.03 0.00 0.50 0.00 0.00 46.19 44.24 2jmr s LEU 132 CO 0.00 -0.26 0.11 -0.32 -1.32 0.00 0.00 176.35 174.56 2jmr s MET 133 N -4.00 0.06 -0.41 1.98 -2.45 0.17 -3.82 119.30 110.83 2jmr s MET 133 Ca 0.39 0.29 -0.28 0.00 -1.25 0.00 0.00 55.69 54.83 2jmr s MET 133 Cb -0.08 -0.16 -0.00 0.00 1.25 0.00 0.00 34.83 35.84 2jmr s MET 133 CO 0.28 -0.14 1.62 0.00 1.05 0.00 0.00 175.02 177.83 2jmr s ALA 134 N 0.96 2.86 -0.38 4.11 0.00 -0.91 -2.48 121.76 125.92 2jmr s ALA 134 Ca -0.08 -0.07 0.22 0.00 0.00 0.00 0.00 51.96 52.03 2jmr s ALA 134 Cb -0.10 -4.02 0.27 0.00 0.00 0.00 0.00 23.12 19.27 2jmr s ALA 134 CO -0.04 -2.69 1.53 1.79 0.00 0.00 0.00 175.76 176.35 2jmr h THR 135 N 6.65 0.12 -3.87 0.00 1.35 -1.33 -3.40 112.91 112.42 2jmr h THR 135 Ca -0.30 -1.17 -0.24 0.00 -0.55 0.00 0.00 66.41 64.15 2jmr h THR 135 Cb 1.14 2.01 -0.06 0.00 -1.73 0.00 0.00 68.15 69.52 2jmr h THR 135 CO 1.08 0.07 -0.08 0.00 -0.25 0.00 0.00 175.52 176.34 2jmr n GLN 136 N -3.08 0.79 -2.51 4.72 1.13 -1.11 -4.82 117.38 112.50 2jmr n GLN 136 Ca 0.03 -2.75 -0.32 0.00 -1.94 0.00 0.00 57.00 52.03 2jmr n GLN 136 Cb 0.56 2.75 0.00 0.00 0.11 0.00 0.00 30.24 33.66 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 -0.58 3.37 0.09 5.09 0.31 -1.26 -4.61 118.33 120.74 2jmr n VAL 137 Ca -0.01 -5.14 -0.04 0.00 -0.01 0.00 0.00 64.34 59.14 2jmr n VAL 137 Cb 0.60 -1.34 -0.06 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 -7.02 5.55 0.13 -1.85 -3.48 132.00 128.34 2jmr h PRO 138 Ca 0.34 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.92 2jmr h PRO 138 Cb 0.53 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.64 2jmr h PRO 138 CO 1.01 0.84 -0.93 1.33 -0.23 0.00 0.00 178.00 180.02 2jmr n VAL 139 N -3.34 -2.33 -4.09 1.56 0.24 -1.26 -4.99 118.33 104.12 2jmr n VAL 139 Ca 0.00 -0.53 -0.34 0.00 -2.04 0.00 0.00 64.34 61.43 2jmr n VAL 139 Cb 0.86 -1.98 -0.10 0.00 -1.47 0.00 0.00 33.84 31.15 2jmr n VAL 139 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2jmr s THR 140 N -3.68 4.65 0.77 3.34 -1.32 -1.26 -5.03 115.64 113.11 2jmr s THR 140 Ca 0.44 -0.09 -0.13 0.00 -1.21 0.00 0.00 61.69 60.70 2jmr s THR 140 Cb -0.25 -3.07 0.06 0.00 -1.51 0.00 0.00 72.50 67.73 2jmr s THR 140 CO 0.89 0.49 1.16 0.00 -2.21 0.00 0.00 174.62 174.95 2jmr s ALA 141 N 0.20 2.03 0.00 11.08 0.00 -1.26 -4.60 121.76 129.21 2jmr s ALA 141 Ca 0.03 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.68 2jmr s ALA 141 Cb -0.12 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2jmr s ALA 141 CO 0.01 -2.00 0.00 0.41 0.00 0.00 0.00 175.76 174.18 2jmr n GLY 142 N 0.01 0.72 3.81 0.00 0.00 -1.22 -4.73 105.19 103.78 2jmr n GLY 142 Ca 0.12 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 2jmr n GLY 142 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jmr s HIS 143 N -2.00 3.02 -0.27 1.61 0.00 -1.01 -0.26 115.29 116.39 2jmr s HIS 143 Ca 0.00 1.46 -0.07 0.00 -3.00 0.00 0.00 55.06 53.46 2jmr s HIS 143 Cb 0.00 -2.94 -0.01 0.00 -4.00 0.00 0.00 32.58 25.63 2jmr s HIS 143 CO 0.00 -1.24 0.07 0.42 -1.00 0.00 0.00 174.74 172.99 2jmr s ILE 144 N -2.83 4.05 -0.18 -5.38 1.01 -0.38 -3.81 121.20 113.68 2jmr s ILE 144 Ca 0.60 -0.46 -0.09 0.00 0.00 0.00 0.00 60.65 60.70 2jmr s ILE 144 Cb -0.15 -2.99 0.07 0.00 0.01 0.00 0.00 42.46 39.40 2jmr s ILE 144 CO 0.49 0.22 0.42 0.20 0.00 0.00 0.00 174.94 176.27 2jmr s ASN 145 N 1.55 -0.45 0.30 3.58 0.01 -1.26 -2.54 114.94 116.13 2jmr s ASN 145 Ca 0.04 0.94 -0.01 0.00 -0.71 0.00 0.00 52.86 53.12 2jmr s ASN 145 Cb -0.16 0.96 -0.01 0.00 0.41 0.00 0.00 41.25 42.44 2jmr s ASN 145 CO 0.02 -0.21 0.37 0.00 -1.51 0.00 0.00 177.10 175.77 2jmr s ALA 146 N 1.77 0.97 0.00 0.60 0.00 -1.21 -1.80 121.76 122.10 2jmr s ALA 146 Ca -0.07 -1.60 -0.08 0.00 0.00 0.00 0.00 51.96 50.20 2jmr s ALA 146 Cb -0.09 1.26 0.00 0.00 0.00 0.00 0.00 23.12 24.29 2jmr s ALA 146 CO -0.13 -0.73 0.16 -0.08 0.00 0.00 0.00 175.76 174.97 2jmr s THR 147 N -3.46 0.08 0.15 0.00 -1.32 -1.26 -3.96 115.64 105.86 2jmr s THR 147 Ca 0.33 -0.68 -0.23 0.00 -1.21 0.00 0.00 61.69 59.90 2jmr s THR 147 Cb 0.02 -0.46 0.08 0.00 -1.51 0.00 0.00 72.50 70.62 2jmr s THR 147 CO 0.19 -0.37 1.08 0.00 -2.21 0.00 0.00 174.62 173.31 2jmr s ALA 148 N -1.41 -1.75 0.00 11.08 0.00 -1.24 -4.52 121.76 123.92 2jmr s ALA 148 Ca -0.14 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.56 2jmr s ALA 148 Cb -0.07 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 2jmr s ALA 148 CO 0.02 -1.08 -0.07 0.95 0.00 0.00 0.00 175.76 175.58 2jmr s THR 149 N -2.12 0.53 -0.74 0.00 -4.23 -0.49 -1.50 115.64 107.09 2jmr s THR 149 Ca 0.23 -0.37 -0.21 0.00 -1.18 0.00 0.00 61.69 60.17 2jmr s THR 149 Cb -0.02 -0.46 0.09 0.00 1.34 0.00 0.00 72.50 73.45 2jmr s THR 149 CO 0.04 0.09 0.98 0.72 -0.54 0.00 0.00 174.62 175.92 2jmr s PHE 150 N -0.28 2.86 0.46 3.99 -0.12 -1.25 -1.44 117.98 122.20 2jmr s PHE 150 Ca 0.01 -0.88 -0.20 0.00 -0.05 0.00 0.00 56.93 55.82 2jmr s PHE 150 Cb -0.03 -4.25 -0.10 0.00 -0.63 0.00 0.00 43.02 38.00 2jmr s PHE 150 CO -0.00 -1.55 0.97 0.99 -0.05 0.00 0.00 175.22 175.58 2jmr s THR 151 N 3.44 4.35 -0.28 -4.49 2.01 -0.53 -4.72 115.64 115.43 2jmr s THR 151 Ca 0.24 1.38 -0.03 0.00 0.31 0.00 0.00 61.69 63.59 2jmr s THR 151 Cb -0.14 -3.61 0.09 0.00 0.01 0.00 0.00 72.50 68.86 2jmr s THR 151 CO 0.03 -0.40 0.11 -0.76 -0.69 0.00 0.00 174.62 172.91 2jmr s LEU 152 N -3.44 1.16 -0.88 4.42 1.43 -1.26 -2.11 118.68 117.99 2jmr s LEU 152 Ca 0.62 -1.32 -0.25 0.00 -1.03 0.00 0.00 54.13 52.15 2jmr s LEU 152 Cb -0.10 -0.54 0.04 0.00 0.03 0.00 0.00 46.19 45.62 2jmr s LEU 152 CO 0.18 -0.41 1.37 -1.61 0.23 0.00 0.00 176.35 176.12 2jmr s GLU 153 N 1.92 3.38 0.58 1.70 0.41 -0.47 -4.69 118.70 121.53 2jmr s GLU 153 Ca 0.08 -0.67 -0.16 0.00 -0.41 0.00 0.00 54.97 53.81 2jmr s GLU 153 Cb -0.17 -4.78 -0.04 0.00 -1.78 0.00 0.00 34.13 27.37 2jmr s GLU 153 CO -0.28 -2.19 1.05 0.71 -0.49 0.00 0.00 175.26 174.05 2jmr s TYR 154 N 5.42 3.05 0.32 1.61 2.02 -1.26 -1.43 117.35 127.08 2jmr s TYR 154 Ca 0.41 1.50 0.02 0.00 -0.37 0.00 0.00 57.07 58.63 2jmr s TYR 154 Cb -0.04 -2.98 0.58 0.00 -0.40 0.00 0.00 41.96 39.13 2jmr s TYR 154 CO 0.02 -1.01 1.92 -0.56 -1.57 0.00 0.00 175.55 174.35 2jmr h GLN 155 N 0.49 0.93 -3.44 -0.62 -0.00 -1.91 -3.29 115.11 107.27 2jmr h GLN 155 Ca -0.47 -0.06 -0.74 0.00 -0.00 0.00 0.00 58.65 57.38 2jmr h GLN 155 Cb 1.22 -0.21 -0.32 0.00 -0.00 0.00 0.00 27.48 28.16 2jmr h GLN 155 CO 0.58 0.62 0.11 0.34 -0.00 0.00 0.00 178.83 180.48 2jmr s ASP 156 N -6.04 6.51 0.27 0.06 -1.08 -1.26 -4.79 116.67 110.34 2jmr s ASP 156 Ca -0.11 -3.60 0.08 0.00 -0.52 0.00 0.00 52.55 48.40 2jmr s ASP 156 Cb 0.20 -2.04 0.37 0.00 -1.46 0.00 0.00 42.92 39.99 2jmr s ASP 156 CO 0.79 -0.25 1.63 -1.13 0.52 0.00 0.00 175.17 176.74 2jmr h ASN 157 N 6.38 0.14 0.63 -0.34 -1.24 -1.97 -3.29 115.58 115.90 2jmr h ASN 157 Ca 0.16 -0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 2jmr h ASN 157 Cb 0.85 -0.04 0.01 0.00 0.73 0.00 0.00 38.32 39.87 2jmr h ASN 157 CO 0.91 0.67 -0.30 -0.74 -1.29 0.00 0.00 177.43 176.67 2jmr h HIS 158 N 0.10 -0.78 0.00 0.67 2.76 -1.94 -1.01 115.15 114.95 2jmr h HIS 158 Ca -0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2jmr h HIS 158 Cb 1.01 0.26 0.00 0.00 1.55 0.00 0.00 27.41 30.22 2jmr h HIS 158 CO 0.01 -0.44 0.00 0.72 -1.30 0.00 0.00 177.93 176.92 2jmr n HIS 159 N -5.37 0.00 -1.54 5.26 8.25 -1.26 -4.90 115.22 115.66 2jmr n HIS 159 Ca -0.12 -0.21 -0.36 0.00 -0.26 0.00 0.00 57.72 56.77 2jmr n HIS 159 Cb 0.36 -0.15 0.09 0.00 1.12 0.00 0.00 29.99 31.40 2jmr n HIS 159 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jmr n HIS 160 N 0.51 1.71 0.00 4.41 -0.00 -0.39 -5.00 115.22 116.47 2jmr n HIS 160 Ca 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 57.72 58.14 2jmr n HIS 160 Cb 0.27 -2.22 0.00 0.00 -0.00 0.00 0.00 29.99 28.04 2jmr n HIS 160 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jmr n HIS 161 N -2.34 0.00 0.99 4.41 -0.00 -1.26 -4.31 115.22 112.71 2jmr n HIS 161 Ca 0.15 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.96 2jmr n HIS 161 Cb 0.49 -0.16 0.49 0.00 -0.00 0.00 0.00 29.99 30.81 2jmr n HIS 161 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jmr n HIS 162 N -1.01 0.00 -2.25 1.57 8.25 -1.26 -4.88 115.22 115.64 2jmr n HIS 162 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 2jmr n HIS 162 Cb 0.00 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 30.97 2jmr n HIS 162 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jmr n HIS 163 N -1.12 -1.01 -4.22 4.41 -0.00 -1.26 -4.97 115.22 107.05 2jmr n HIS 163 Ca 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.70 2jmr n HIS 163 Cb 0.09 -3.36 -0.05 0.00 -0.00 0.00 0.00 29.99 26.67 2jmr n HIS 163 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 2jmr n LYS 164 N -2.78 0.36 -0.93 -0.41 2.85 -1.26 -5.12 118.16 110.87 2jmr n LYS 164 Ca -0.20 -2.22 -0.37 0.00 -1.05 0.00 0.00 58.31 54.48 2jmr n LYS 164 Cb 0.64 1.68 0.06 0.00 -0.65 0.00 0.00 35.03 36.77 2jmr n LYS 164 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2jmr n GLN 165 N -0.46 -0.31 0.04 -1.58 7.27 -1.26 -4.83 117.38 116.25 2jmr n GLN 165 Ca 0.03 -0.08 0.04 0.00 0.07 0.00 0.00 57.00 57.05 2jmr n GLN 165 Cb 0.40 -1.18 0.06 0.00 2.41 0.00 0.00 30.24 31.92 2jmr n GLN 165 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jmr n ALA 166 N -3.45 0.13 -4.00 1.69 0.00 -1.26 -4.83 120.51 108.78 2jmr n ALA 166 Ca -0.01 0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 2jmr n ALA 166 Cb 0.68 -0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 2jmr n ALA 166 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jmr n ASP 167 N -1.48 -0.62 -4.42 0.00 5.75 -1.26 -4.82 116.55 109.70 2jmr n ASP 167 Ca 0.03 -1.04 -0.44 0.00 -0.01 0.00 0.00 54.79 53.33 2jmr n ASP 167 Cb 0.42 -1.31 -0.03 0.00 -1.03 0.00 0.00 41.12 39.17 2jmr n ASP 167 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2jmr s SER 168 N -3.35 6.46 -0.41 -1.12 1.04 -1.26 -4.74 113.70 110.32 2jmr s SER 168 Ca 0.42 -1.78 -0.30 0.00 0.48 0.00 0.00 55.95 54.77 2jmr s SER 168 Cb -0.25 -2.36 -0.09 0.00 0.10 0.00 0.00 66.02 63.42 2jmr s SER 168 CO 0.84 -1.10 2.31 0.41 0.98 0.00 0.00 173.24 176.68 2jmr n THR 169 N 5.42 0.13 -2.75 2.02 -1.04 -1.26 -3.81 114.28 113.00 2jmr n THR 169 Ca 0.11 -0.45 -0.38 0.00 -2.04 0.00 0.00 64.05 61.29 2jmr n THR 169 Cb 0.47 -2.14 -0.06 0.00 -1.82 0.00 0.00 70.33 66.78 2jmr n THR 169 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2jmr s ILE 170 N 9.20 4.12 -0.35 12.58 -1.09 -0.56 -2.92 121.20 142.17 2jmr s ILE 170 Ca 1.06 1.85 0.03 0.00 -2.23 0.00 0.00 60.65 61.36 2jmr s ILE 170 Cb -0.55 -4.07 0.16 0.00 -1.58 0.00 0.00 42.46 36.41 2jmr s ILE 170 CO 0.38 0.23 0.39 -0.89 -1.23 0.00 0.00 174.94 173.83 2jmr s THR 171 N -1.49 -0.44 0.17 2.92 2.01 -1.25 -3.68 115.64 113.88 2jmr s THR 171 Ca 0.48 -0.73 -0.15 0.00 0.31 0.00 0.00 61.69 61.59 2jmr s THR 171 Cb -0.21 -0.71 -0.07 0.00 0.01 0.00 0.00 72.50 71.51 2jmr s THR 171 CO 0.27 -0.48 0.59 -0.63 -0.69 0.00 0.00 174.62 173.68 2jmr s ILE 172 N 1.77 4.79 0.15 1.82 1.01 -1.25 -0.68 121.20 128.80 2jmr s ILE 172 Ca 0.15 0.92 0.01 0.00 0.00 0.00 0.00 60.65 61.73 2jmr s ILE 172 Cb -0.14 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2jmr s ILE 172 CO -0.12 0.22 0.01 -0.13 0.00 0.00 0.00 174.94 174.92 2jmr s ARG 173 N -2.00 1.01 0.00 2.79 1.81 0.42 -3.30 118.95 119.68 2jmr s ARG 173 Ca 0.39 -1.47 0.00 0.00 -1.72 0.00 0.00 55.73 52.93 2jmr s ARG 173 Cb -0.15 -0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.24 2jmr s ARG 173 CO 0.20 -0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.07 2jmr n GLY 174 N -0.17 -1.74 2.82 -3.53 0.00 -1.05 -2.64 105.19 98.88 2jmr n GLY 174 Ca -0.07 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.68 -0.06 -0.25 1.61 5.04 -1.22 -1.25 117.35 118.53 2jmr s TYR 175 Ca 0.00 0.32 -0.23 0.00 -2.44 0.00 0.00 57.07 54.71 2jmr s TYR 175 Cb 0.00 -0.21 -0.01 0.00 0.35 0.00 0.00 41.96 42.09 2jmr s TYR 175 CO 0.00 -0.15 0.77 0.08 -1.34 0.00 0.00 175.55 174.92 2jmr s VAL 176 N 1.34 4.87 0.31 3.14 1.01 0.64 -0.90 120.40 130.81 2jmr s VAL 176 Ca -0.06 1.40 -0.27 0.00 0.00 0.00 0.00 61.98 63.05 2jmr s VAL 176 Cb -0.12 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 2jmr s VAL 176 CO -0.04 -0.07 0.99 -0.13 0.00 0.00 0.00 175.10 175.84 2jmr s ARG 177 N 2.78 4.58 0.11 2.72 1.81 0.83 -3.42 118.95 128.36 2jmr s ARG 177 Ca 0.32 1.48 0.22 0.00 -1.72 0.00 0.00 55.73 56.04 2jmr s ARG 177 Cb -0.15 -2.94 0.88 0.00 -0.45 0.00 0.00 34.95 32.29 2jmr s ARG 177 CO 0.08 0.25 1.68 -3.47 -0.68 0.00 0.00 175.30 173.16 2jmr n ASP 178 N 0.78 0.33 0.00 0.23 2.03 -1.26 0.24 116.55 118.90 2jmr n ASP 178 Ca 0.01 0.56 0.00 0.00 0.52 0.00 0.00 54.79 55.88 2jmr n ASP 178 Cb 0.48 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 2jmr n ASP 178 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82