#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 0.02 0.72 3.04 0.00 -1.26 -5.17 121.76 119.11 2jmr s ALA 2 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 2jmr s ALA 2 Cb 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 23.12 23.20 2jmr s ALA 2 CO 0.00 -0.02 0.88 -0.40 0.00 0.00 0.00 175.76 176.22 2jmr n ASP 3 N 3.28 1.04 -3.76 0.00 5.75 -1.26 -5.05 116.55 116.55 2jmr n ASP 3 Ca -0.15 -1.91 -0.14 0.00 -0.01 0.00 0.00 54.79 52.58 2jmr n ASP 3 Cb 0.58 -0.58 -0.15 0.00 -1.03 0.00 0.00 41.12 39.94 2jmr n ASP 3 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2jmr s SER 4 N -4.53 -0.08 -0.19 -1.12 0.01 -1.26 -5.12 113.70 101.41 2jmr s SER 4 Ca 0.57 0.25 -0.35 0.00 1.31 0.00 0.00 55.95 57.73 2jmr s SER 4 Cb -0.03 0.14 -0.11 0.00 0.21 0.00 0.00 66.02 66.23 2jmr s SER 4 CO 0.38 -0.14 1.98 0.41 0.41 0.00 0.00 173.24 176.28 2jmr n THR 5 N 4.14 0.43 -4.04 1.44 -1.04 -1.26 -4.90 114.28 109.05 2jmr n THR 5 Ca -0.26 -0.17 -0.10 0.00 -2.04 0.00 0.00 64.05 61.48 2jmr n THR 5 Cb 0.52 -1.81 -0.08 0.00 -1.82 0.00 0.00 70.33 67.14 2jmr n THR 5 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2jmr s ILE 6 N 5.25 0.07 -0.38 12.58 1.10 -1.26 -5.10 121.20 133.46 2jmr s ILE 6 Ca 0.99 -1.59 -0.28 0.00 -0.51 0.00 0.00 60.65 59.25 2jmr s ILE 6 Cb -0.75 -1.96 -0.01 0.00 0.15 0.00 0.00 42.46 39.89 2jmr s ILE 6 CO 0.51 -0.33 1.74 -0.89 -2.11 0.00 0.00 174.94 173.86 2jmr s THR 7 N -4.01 3.54 -0.63 4.00 2.01 -1.26 -4.93 115.64 114.36 2jmr s THR 7 Ca 0.21 0.53 -0.23 0.00 0.31 0.00 0.00 61.69 62.50 2jmr s THR 7 Cb 0.05 -3.78 0.06 0.00 0.01 0.00 0.00 72.50 68.83 2jmr s THR 7 CO 0.02 -0.54 0.98 -0.63 -0.69 0.00 0.00 174.62 173.76 2jmr s ILE 8 N 6.89 4.29 0.03 1.82 -1.09 -1.26 -4.83 121.20 127.05 2jmr s ILE 8 Ca 0.75 -0.08 -0.17 0.00 -2.23 0.00 0.00 60.65 58.92 2jmr s ILE 8 Cb -0.20 -4.66 -0.09 0.00 -1.58 0.00 0.00 42.46 35.94 2jmr s ILE 8 CO 0.32 -1.38 1.25 -0.09 -1.23 0.00 0.00 174.94 173.81 2jmr h ARG 9 N 9.53 -0.54 -1.93 2.79 1.12 -1.91 -3.41 114.38 120.02 2jmr h ARG 9 Ca -0.28 0.04 -0.46 0.00 -1.11 0.00 0.00 59.98 58.16 2jmr h ARG 9 Cb 1.07 0.12 -0.32 0.00 -0.01 0.00 0.00 29.97 30.83 2jmr h ARG 9 CO 1.16 -0.36 -0.85 0.41 -3.11 0.00 0.00 179.97 177.22 2jmr n GLY 10 N -1.29 1.41 2.24 2.80 0.00 -1.26 -4.95 105.19 104.14 2jmr n GLY 10 Ca -0.07 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 2jmr n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2jmr n TYR 11 N 2.76 -0.63 -2.47 1.61 9.36 -1.26 -4.87 117.16 121.67 2jmr n TYR 11 Ca 0.26 0.26 -0.43 0.00 3.32 0.00 0.00 57.90 61.32 2jmr n TYR 11 Cb 0.51 -0.59 -0.02 0.00 -0.63 0.00 0.00 39.34 38.60 2jmr n TYR 11 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2jmr s VAL 12 N -1.29 4.30 0.00 2.97 1.01 -1.26 -4.93 120.40 121.20 2jmr s VAL 12 Ca 0.05 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.64 2jmr s VAL 12 Cb -0.01 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 2jmr s VAL 12 CO 0.24 -0.05 1.28 -1.14 0.00 0.00 0.00 175.10 175.42 2jmr n ARG 13 N 5.66 0.95 -3.09 2.72 0.00 -1.26 -4.87 116.66 116.76 2jmr n ARG 13 Ca 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.89 2jmr n ARG 13 Cb 0.46 -1.02 0.00 0.00 0.00 0.00 0.00 32.46 31.90 2jmr n ARG 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2jmr n ASP 14 N 0.86 -1.09 0.00 6.15 8.00 -1.26 -4.43 116.55 124.78 2jmr n ASP 14 Ca 0.00 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.24 2jmr n ASP 14 Cb 0.48 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 2jmr n ASP 14 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jmr n ASN 15 N -0.12 0.00 -4.77 -2.24 5.03 -1.06 -4.38 115.26 107.72 2jmr n ASN 15 Ca -0.06 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.10 2jmr n ASN 15 Cb 0.16 0.06 -0.07 0.00 -1.02 0.00 0.00 39.78 38.91 2jmr n ASN 15 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2jmr s GLY 16 N -1.12 2.63 -0.01 7.41 0.00 -1.26 -4.48 107.32 110.49 2jmr s GLY 16 Ca 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 44.72 43.42 2jmr s GLY 16 CO 0.00 -2.05 -0.06 0.00 0.00 0.00 0.00 173.10 170.99 2jmr s SER 18 N -0.08 6.70 0.52 0.00 0.01 -0.39 -4.97 113.70 115.49 2jmr s SER 18 Ca 0.01 0.84 -0.21 0.00 1.31 0.00 0.00 55.95 57.90 2jmr s SER 18 Cb -0.03 -2.20 -0.06 0.00 0.21 0.00 0.00 66.02 63.94 2jmr s SER 18 CO -0.00 0.25 1.23 -0.69 0.41 0.00 0.00 173.24 174.44 2jmr s VAL 19 N -1.25 2.67 0.70 3.43 1.01 -1.26 -1.40 120.40 124.30 2jmr s VAL 19 Ca 0.28 0.48 -0.13 0.00 0.00 0.00 0.00 61.98 62.61 2jmr s VAL 19 Cb -0.15 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.02 2jmr s VAL 19 CO 0.15 -0.03 1.10 0.00 0.00 0.00 0.00 175.10 176.32 2jmr s ALA 20 N -1.49 2.41 0.35 5.51 0.00 -0.79 -4.61 121.76 123.14 2jmr s ALA 20 Ca 0.70 0.44 0.12 0.00 0.00 0.00 0.00 51.96 53.21 2jmr s ALA 20 Cb -0.32 -3.30 0.92 0.00 0.00 0.00 0.00 23.12 20.41 2jmr s ALA 20 CO 0.38 -1.42 1.78 0.00 0.00 0.00 0.00 175.76 176.49 2jmr h ALA 21 N -0.36 1.92 0.00 0.00 0.00 -1.91 0.19 119.26 119.11 2jmr h ALA 21 Ca -0.46 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2jmr h ALA 21 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jmr h ALA 21 CO 0.53 -0.31 0.00 -0.85 0.00 0.00 0.00 179.25 178.62 2jmr n GLU 22 N -4.72 0.38 0.00 0.00 0.28 -1.26 -2.42 120.64 112.91 2jmr n GLU 22 Ca 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.24 2jmr n GLU 22 Cb 0.71 -1.06 0.00 0.00 1.43 0.00 0.00 31.44 32.52 2jmr n GLU 22 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2jmr n SER 23 N -0.27 0.00 0.00 -1.84 7.64 0.57 -4.83 113.62 114.90 2jmr n SER 23 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jmr n SER 23 Cb 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2jmr n SER 23 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2jmr n THR 24 N 0.00 0.00 -3.93 0.44 -1.04 -0.55 -4.78 114.28 104.42 2jmr n THR 24 Ca 0.00 0.86 -0.29 0.00 -2.04 0.00 0.00 64.05 62.58 2jmr n THR 24 Cb 0.00 -1.79 -0.16 0.00 -1.82 0.00 0.00 70.33 66.56 2jmr n THR 24 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2jmr s ASN 25 N -2.43 2.94 0.16 8.00 0.02 -1.01 -0.73 114.94 121.88 2jmr s ASN 25 Ca 0.00 -0.69 -0.24 0.00 -1.02 0.00 0.00 52.86 50.91 2jmr s ASN 25 Cb 0.00 -1.02 0.07 0.00 0.02 0.00 0.00 41.25 40.31 2jmr s ASN 25 CO 0.00 -0.16 0.98 0.72 0.02 0.00 0.00 177.10 178.67 2jmr s PHE 26 N 1.56 -0.08 0.19 2.20 -0.71 -1.19 -4.55 117.98 115.40 2jmr s PHE 26 Ca 0.01 -0.26 0.08 0.00 -1.04 0.00 0.00 56.93 55.72 2jmr s PHE 26 Cb -0.15 0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 2jmr s PHE 26 CO -0.08 -0.85 -0.02 0.99 -1.34 0.00 0.00 175.22 173.92 2jmr s THR 27 N -2.99 3.57 -0.08 -4.49 2.01 -1.26 -2.09 115.64 110.31 2jmr s THR 27 Ca 0.14 -1.55 -0.00 0.00 0.31 0.00 0.00 61.69 60.59 2jmr s THR 27 Cb -0.02 -2.81 0.02 0.00 0.01 0.00 0.00 72.50 69.71 2jmr s THR 27 CO 0.03 -0.15 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.08 2jmr s VAL 28 N -1.82 0.64 -0.31 3.82 1.01 0.56 -4.93 120.40 119.38 2jmr s VAL 28 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2jmr s VAL 28 Cb -0.09 -0.71 0.10 0.00 0.00 0.00 0.00 36.38 35.67 2jmr s VAL 28 CO 0.18 0.29 0.07 -1.81 0.00 0.00 0.00 175.10 173.83 2jmr s ASP 29 N 1.61 4.15 -0.06 3.32 1.11 -1.26 -0.28 116.67 125.25 2jmr s ASP 29 Ca 0.01 -1.70 -0.04 0.00 0.18 0.00 0.00 52.55 51.00 2jmr s ASP 29 Cb -0.13 -1.05 -0.01 0.00 1.07 0.00 0.00 42.92 42.80 2jmr s ASP 29 CO -0.05 -0.39 -0.08 -0.07 1.18 0.00 0.00 175.17 175.77 2jmr h LEU 30 N 7.98 0.00 0.00 1.23 3.38 -1.99 -3.49 115.31 122.41 2jmr h LEU 30 Ca -0.12 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.93 2jmr h LEU 30 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2jmr h LEU 30 CO 0.47 0.35 0.21 0.23 0.09 0.00 0.00 178.44 179.79 2jmr n MET 31 N -3.36 0.08 -4.37 1.13 2.81 -1.26 -5.10 117.12 107.05 2jmr n MET 31 Ca -0.03 -0.26 -0.31 0.00 -1.81 0.00 0.00 57.70 55.29 2jmr n MET 31 Cb 0.11 0.39 -0.10 0.00 -0.71 0.00 0.00 33.22 32.92 2jmr n MET 31 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2jmr s GLU 32 N -2.01 2.42 0.12 0.03 2.12 -1.26 -4.14 118.70 115.98 2jmr s GLU 32 Ca 0.07 -0.83 0.08 0.00 0.36 0.00 0.00 54.97 54.66 2jmr s GLU 32 Cb -0.00 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.91 2jmr s GLU 32 CO 0.00 0.57 -0.19 0.54 -0.54 0.00 0.00 175.26 175.64 2jmr s ASN 33 N -1.74 2.53 0.46 -1.70 2.20 -1.15 -4.97 114.94 110.56 2jmr s ASN 33 Ca 0.19 -0.75 -0.20 0.00 -0.94 0.00 0.00 52.86 51.17 2jmr s ASN 33 Cb -0.11 -0.14 -0.10 0.00 -2.00 0.00 0.00 41.25 38.90 2jmr s ASN 33 CO 0.10 0.01 0.97 0.00 -2.94 0.00 0.00 177.10 175.24 2jmr s ALA 34 N -1.49 3.03 0.25 3.54 0.00 -1.26 -0.09 121.76 125.74 2jmr s ALA 34 Ca 0.09 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 2jmr s ALA 34 Cb -0.08 -3.15 0.37 0.00 0.00 0.00 0.00 23.12 20.26 2jmr s ALA 34 CO 0.05 -0.00 1.85 0.00 0.00 0.00 0.00 175.76 177.66 2jmr h ALA 35 N 1.61 1.25 -0.51 0.00 0.00 -0.75 -3.30 119.26 117.56 2jmr h ALA 35 Ca -0.48 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 54.00 2jmr h ALA 35 Cb 1.18 -0.24 -0.16 0.00 0.00 0.00 0.00 17.79 18.57 2jmr h ALA 35 CO 0.61 0.30 0.40 1.63 0.00 0.00 0.00 179.25 182.19 2jmr n LYS 36 N -4.61 2.13 0.00 0.00 5.02 -1.26 -1.33 118.16 118.12 2jmr n LYS 36 Ca 0.14 -2.00 0.00 0.00 -2.02 0.00 0.00 58.31 54.43 2jmr n LYS 36 Cb 0.20 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 2jmr n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jmr n GLN 37 N 0.61 3.54 -3.06 1.97 10.64 -1.24 -4.95 117.38 124.89 2jmr n GLN 37 Ca 0.41 -0.15 -0.41 0.00 -1.83 0.00 0.00 57.00 55.01 2jmr n GLN 37 Cb 0.57 -0.60 -0.00 0.00 -0.86 0.00 0.00 30.24 29.35 2jmr n GLN 37 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2jmr n PHE 38 N -0.55 2.46 -0.93 2.61 3.72 -0.44 -4.70 117.46 119.63 2jmr n PHE 38 Ca 0.00 -2.78 0.09 0.00 -0.05 0.00 0.00 57.45 54.71 2jmr n PHE 38 Cb 0.01 -1.19 0.16 0.00 -0.94 0.00 0.00 39.48 37.52 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 1.30 2.72 -3.81 4.37 6.94 -1.26 -4.37 115.26 121.15 2jmr n ASN 39 Ca 0.26 -2.94 0.03 0.00 -0.02 0.00 0.00 54.58 51.91 2jmr n ASN 39 Cb 0.34 -0.41 0.01 0.00 -2.36 0.00 0.00 39.78 37.35 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 -2.42 -0.00 0.13 0.53 2.20 -1.26 -4.93 114.94 109.19 2jmr s ASN 40 Ca 0.31 -0.15 0.19 0.00 -0.94 0.00 0.00 52.86 52.28 2jmr s ASN 40 Cb 0.27 0.11 -0.07 0.00 -2.00 0.00 0.00 41.25 39.56 2jmr s ASN 40 CO 0.05 -0.22 0.94 0.40 -2.94 0.00 0.00 177.10 175.33 2jmr h ILE 41 N 2.00 0.27 -0.04 0.54 5.03 -1.87 -3.31 117.51 120.13 2jmr h ILE 41 Ca -0.24 -1.54 0.00 0.00 -0.12 0.00 0.00 64.86 62.97 2jmr h ILE 41 Cb 1.18 1.80 0.00 0.00 -3.03 0.00 0.00 36.82 36.77 2jmr h ILE 41 CO 0.30 0.16 0.00 0.61 -0.68 0.00 0.00 178.15 178.54 2jmr n GLY 42 N 1.29 -0.77 2.83 5.37 0.00 -1.26 -4.42 105.19 108.23 2jmr n GLY 42 Ca -0.05 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2jmr n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr n ALA 43 N -0.49 4.44 -2.59 4.61 0.00 -1.25 -4.90 120.51 120.33 2jmr n ALA 43 Ca 0.09 -3.04 -0.43 0.00 0.00 0.00 0.00 53.44 50.05 2jmr n ALA 43 Cb 0.08 -3.42 -0.03 0.00 0.00 0.00 0.00 19.45 16.09 2jmr n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jmr s THR 44 N 4.01 4.23 0.76 0.00 2.01 -1.26 -3.91 115.64 121.47 2jmr s THR 44 Ca 0.51 0.96 -0.13 0.00 0.31 0.00 0.00 61.69 63.35 2jmr s THR 44 Cb 0.13 -4.60 0.05 0.00 0.01 0.00 0.00 72.50 68.10 2jmr s THR 44 CO 0.02 -1.07 1.15 0.42 -0.69 0.00 0.00 174.62 174.45 2jmr s THR 45 N 4.40 2.69 -0.31 -0.82 -4.23 -1.26 -4.87 115.64 111.23 2jmr s THR 45 Ca 0.43 0.29 -0.28 0.00 -1.18 0.00 0.00 61.69 60.95 2jmr s THR 45 Cb -0.08 -2.72 -0.06 0.00 1.34 0.00 0.00 72.50 70.98 2jmr s THR 45 CO 0.28 -0.23 2.29 -2.65 -0.54 0.00 0.00 174.62 173.77 2jmr n PRO 46 N -3.10 1.62 -0.75 3.99 -0.02 -1.26 -4.91 135.00 130.58 2jmr n PRO 46 Ca 0.11 0.36 -0.32 0.00 -2.02 0.00 0.00 63.50 61.63 2jmr n PRO 46 Cb 0.52 -3.24 0.14 0.00 -0.02 0.00 0.00 33.50 30.90 2jmr n PRO 46 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2jmr n VAL 47 N 7.80 0.00 -4.60 -1.45 3.14 -1.26 -4.98 118.33 116.97 2jmr n VAL 47 Ca 0.33 -0.16 -0.28 0.00 -2.96 0.00 0.00 64.34 61.27 2jmr n VAL 47 Cb 0.46 -0.72 -0.14 0.00 -1.06 0.00 0.00 33.84 32.39 2jmr n VAL 47 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2jmr s VAL 48 N -2.44 2.00 0.50 1.55 1.01 -0.74 -4.99 120.40 117.28 2jmr s VAL 48 Ca 0.59 -1.48 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 2jmr s VAL 48 Cb -0.21 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.35 2jmr s VAL 48 CO 0.65 0.19 1.28 -2.16 0.00 0.00 0.00 175.10 175.06 2jmr s PRO 49 N -1.56 3.47 0.14 2.72 0.04 -1.26 -0.91 135.00 137.63 2jmr s PRO 49 Ca 0.11 2.07 -0.06 0.00 0.04 0.00 0.00 61.00 63.15 2jmr s PRO 49 Cb -0.10 -2.38 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 2jmr s PRO 49 CO 0.03 -0.87 0.19 0.12 0.04 0.00 0.00 177.00 176.52 2jmr s PHE 50 N -1.38 0.48 0.20 0.56 5.36 -0.25 -4.63 117.98 118.32 2jmr s PHE 50 Ca 0.67 -0.87 -0.23 0.00 -0.96 0.00 0.00 56.93 55.54 2jmr s PHE 50 Cb -0.36 -0.18 0.05 0.00 -0.34 0.00 0.00 43.02 42.19 2jmr s PHE 50 CO 0.43 -0.62 0.70 -0.98 -1.46 0.00 0.00 175.22 173.30 2jmr s ARG 51 N -3.97 1.47 0.08 10.12 1.04 -1.26 -1.61 118.95 124.82 2jmr s ARG 51 Ca 0.16 -0.71 0.05 0.00 -1.04 0.00 0.00 55.73 54.19 2jmr s ARG 51 Cb 0.05 0.57 -0.04 0.00 -2.04 0.00 0.00 34.95 33.49 2jmr s ARG 51 CO -0.02 -0.66 -0.03 0.42 -0.04 0.00 0.00 175.30 174.97 2jmr s ILE 52 N -3.75 3.85 -0.12 4.99 1.01 -1.26 -5.03 121.20 120.90 2jmr s ILE 52 Ca 0.07 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.73 2jmr s ILE 52 Cb -0.03 -2.80 0.02 0.00 0.01 0.00 0.00 42.46 39.66 2jmr s ILE 52 CO -0.02 0.17 -0.09 -0.22 0.00 0.00 0.00 174.94 174.78 2jmr s LEU 53 N -2.12 1.31 -0.43 2.97 0.20 -1.26 -4.12 118.68 115.22 2jmr s LEU 53 Ca 0.23 -0.34 -0.04 0.00 0.69 0.00 0.00 54.13 54.68 2jmr s LEU 53 Cb -0.11 -0.91 0.12 0.00 -0.43 0.00 0.00 46.19 44.85 2jmr s LEU 53 CO 0.15 -0.10 0.24 -0.76 -0.29 0.00 0.00 176.35 175.60 2jmr s LEU 54 N 1.61 5.33 -0.14 -0.68 2.01 -0.05 -1.89 118.68 124.86 2jmr s LEU 54 Ca 0.04 -2.07 -0.23 0.00 0.01 0.00 0.00 54.13 51.88 2jmr s LEU 54 Cb -0.13 -1.86 0.06 0.00 0.01 0.00 0.00 46.19 44.27 2jmr s LEU 54 CO -0.08 -0.56 0.58 -0.94 1.01 0.00 0.00 176.35 176.36 2jmr s SER 55 N 1.88 -0.57 0.06 2.29 1.04 -0.49 -4.13 113.70 113.79 2jmr s SER 55 Ca 0.08 0.89 -0.31 0.00 0.48 0.00 0.00 55.95 57.10 2jmr s SER 55 Cb -0.23 0.88 -0.07 0.00 0.10 0.00 0.00 66.02 66.70 2jmr s SER 55 CO -0.04 -0.36 1.45 -2.16 0.98 0.00 0.00 173.24 173.11 2jmr s PRO 56 N -0.37 4.28 0.31 4.02 0.04 -1.19 -2.90 135.00 139.20 2jmr s PRO 56 Ca -0.05 2.08 0.08 0.00 0.04 0.00 0.00 61.00 63.15 2jmr s PRO 56 Cb -0.03 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 2jmr s PRO 56 CO 0.04 -0.56 0.13 0.00 0.04 0.00 0.00 177.00 176.65 2jmr s GLY 58 N -3.82 2.20 0.13 0.00 0.00 -1.24 -3.91 107.32 100.68 2jmr s GLY 58 Ca 0.36 -1.72 -0.15 0.00 0.00 0.00 0.00 44.72 43.21 2jmr s GLY 58 CO 0.23 -1.80 1.60 -0.57 0.00 0.00 0.00 173.10 172.56 2jmr h ASN 59 N 0.90 0.65 -4.09 1.64 -0.00 -1.90 -1.50 115.58 111.28 2jmr h ASN 59 Ca -0.39 -0.27 -0.66 0.00 -0.00 0.00 0.00 56.30 54.98 2jmr h ASN 59 Cb 1.28 -0.17 -0.39 0.00 -0.00 0.00 0.00 38.32 39.04 2jmr h ASN 59 CO 0.57 0.75 -0.50 0.00 -0.00 0.00 0.00 177.43 178.25 2jmr s ALA 60 N -5.16 3.53 0.02 1.57 0.00 -1.26 -4.73 121.76 115.73 2jmr s ALA 60 Ca -0.13 -3.39 -0.00 0.00 0.00 0.00 0.00 51.96 48.43 2jmr s ALA 60 Cb 0.10 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 2jmr s ALA 60 CO 0.78 -2.07 -0.02 0.14 0.00 0.00 0.00 175.76 174.59 2jmr s VAL 61 N -0.46 0.11 0.00 0.00 -7.23 -1.26 -2.56 120.40 108.99 2jmr s VAL 61 Ca 0.19 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 2jmr s VAL 61 Cb -0.20 -0.27 0.00 0.00 0.56 0.00 0.00 36.38 36.46 2jmr s VAL 61 CO -0.04 -0.49 0.00 -1.20 -0.31 0.00 0.00 175.10 173.06 2jmr n SER 62 N 1.59 0.00 -2.28 4.85 7.64 -1.26 -4.65 113.62 119.50 2jmr n SER 62 Ca -0.24 0.04 -0.05 0.00 1.01 0.00 0.00 58.87 59.64 2jmr n SER 62 Cb 0.55 -0.21 0.02 0.00 -1.01 0.00 0.00 64.21 63.56 2jmr n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr n ALA 63 N -1.74 -1.36 -2.38 -0.43 0.00 -1.26 -0.93 120.51 112.41 2jmr n ALA 63 Ca 0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 53.44 52.45 2jmr n ALA 63 Cb 0.00 0.59 -0.10 0.00 0.00 0.00 0.00 19.45 19.94 2jmr n ALA 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jmr s VAL 64 N -2.35 0.80 0.07 0.00 -7.23 -1.26 -4.08 120.40 106.36 2jmr s VAL 64 Ca 0.12 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2jmr s VAL 64 Cb -0.03 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 2jmr s VAL 64 CO 0.07 0.00 0.22 -0.54 -0.31 0.00 0.00 175.10 174.54 2jmr s LYS 65 N -3.95 3.44 -0.34 4.82 -0.14 0.28 -4.18 119.74 119.67 2jmr s LYS 65 Ca 0.36 -0.46 0.01 0.00 -1.36 0.00 0.00 55.97 54.53 2jmr s LYS 65 Cb 0.08 -3.03 0.11 0.00 -1.68 0.00 0.00 37.83 33.31 2jmr s LYS 65 CO 0.15 0.59 0.11 0.54 -0.76 0.00 0.00 175.35 175.98 2jmr s VAL 66 N -1.55 1.45 -0.47 3.17 0.11 -1.26 -0.79 120.40 121.06 2jmr s VAL 66 Ca 0.35 -1.91 -0.12 0.00 -2.93 0.00 0.00 61.98 57.37 2jmr s VAL 66 Cb -0.13 -2.07 0.10 0.00 -1.53 0.00 0.00 36.38 32.75 2jmr s VAL 66 CO 0.28 -0.68 0.37 -0.83 -3.33 0.00 0.00 175.10 170.90 2jmr s GLY 67 N 1.17 2.03 -0.36 6.54 0.00 0.36 -4.95 107.32 112.10 2jmr s GLY 67 Ca 0.11 -2.34 -0.29 0.00 0.00 0.00 0.00 44.72 42.20 2jmr s GLY 67 CO -0.16 1.08 1.13 -1.36 0.00 0.00 0.00 173.10 173.79 2jmr s PHE 68 N 1.49 2.97 0.12 1.90 0.40 -1.26 -0.92 117.98 122.68 2jmr s PHE 68 Ca 0.04 1.00 0.07 0.00 -0.60 0.00 0.00 56.93 57.44 2jmr s PHE 68 Cb -0.26 -3.95 -0.04 0.00 0.51 0.00 0.00 43.02 39.28 2jmr s PHE 68 CO 0.02 -1.07 -0.16 0.95 0.70 0.00 0.00 175.22 175.66 2jmr s THR 69 N 4.03 1.51 0.00 0.64 -4.23 -1.01 -2.80 115.64 113.78 2jmr s THR 69 Ca 0.48 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 2jmr s THR 69 Cb -0.11 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.15 2jmr s THR 69 CO 0.22 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 2jmr n GLY 70 N 0.64 0.72 2.97 3.99 0.00 -1.26 -1.13 105.19 111.13 2jmr n GLY 70 Ca -0.16 0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 2.02 1.41 -0.24 1.61 1.01 -1.26 -4.99 120.40 119.97 2jmr s VAL 71 Ca 0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 2jmr s VAL 71 Cb 0.00 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.97 2jmr s VAL 71 CO 0.00 0.34 1.12 0.00 0.00 0.00 0.00 175.10 176.56 2jmr s ALA 72 N 1.53 3.62 0.53 5.51 0.00 -1.26 -1.03 121.76 130.66 2jmr s ALA 72 Ca 0.03 0.19 -0.22 0.00 0.00 0.00 0.00 51.96 51.96 2jmr s ALA 72 Cb -0.14 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 2jmr s ALA 72 CO -0.09 -1.22 1.38 0.34 0.00 0.00 0.00 175.76 176.17 2jmr s ASP 73 N 1.60 5.34 0.15 0.00 2.15 -0.05 -4.78 116.67 121.07 2jmr s ASP 73 Ca 0.48 2.82 -0.20 0.00 0.43 0.00 0.00 52.55 56.08 2jmr s ASP 73 Cb -0.16 -2.64 0.04 0.00 -0.30 0.00 0.00 42.92 39.86 2jmr s ASP 73 CO 0.11 -1.53 1.66 0.28 -0.17 0.00 0.00 175.17 175.53 2jmr h SER 74 N 1.60 -0.46 1.08 -0.34 0.02 -1.94 -2.56 113.55 110.95 2jmr h SER 74 Ca -0.51 0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.39 2jmr h SER 74 Cb 1.30 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 64.06 2jmr h SER 74 CO 0.58 -0.17 -0.75 0.45 -1.14 0.00 0.00 176.83 175.79 2jmr h HIS 75 N -0.10 0.00 -1.03 3.45 3.86 -1.93 -3.41 115.15 115.98 2jmr h HIS 75 Ca 0.14 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 2jmr h HIS 75 Cb 0.32 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 28.59 2jmr h HIS 75 CO -0.32 0.75 -0.44 1.21 0.86 0.00 0.00 177.93 179.99 2jmr s ASN 76 N -6.63 -1.49 0.65 2.45 3.04 -1.17 -5.05 114.94 106.73 2jmr s ASN 76 Ca 0.01 -0.53 0.43 0.00 0.04 0.00 0.00 52.86 52.82 2jmr s ASN 76 Cb 0.10 1.95 2.31 0.00 -1.54 0.00 0.00 41.25 44.07 2jmr s ASN 76 CO 0.78 -0.21 2.33 0.00 -3.04 0.00 0.00 177.10 176.96 2jmr h ALA 77 N 7.28 1.02 0.00 1.71 0.00 -1.71 -0.36 119.26 127.21 2jmr h ALA 77 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jmr h ALA 77 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jmr h ALA 77 CO 0.12 0.00 0.00 -0.91 0.00 0.00 0.00 179.25 178.46 2jmr h ASN 78 N 0.00 0.00 -3.34 0.00 4.21 -1.86 -3.35 115.58 111.24 2jmr h ASN 78 Ca -0.00 0.00 -0.62 0.00 1.21 0.00 0.00 56.30 56.89 2jmr h ASN 78 Cb 0.05 0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 37.09 2jmr h ASN 78 CO 0.00 0.00 -0.56 -0.76 -1.29 0.00 0.00 177.43 174.82 2jmr s LEU 79 N -4.98 3.83 -0.10 1.61 2.01 -0.14 -4.38 118.68 116.53 2jmr s LEU 79 Ca 0.01 0.07 -0.30 0.00 0.01 0.00 0.00 54.13 53.92 2jmr s LEU 79 Cb 0.09 -1.98 -0.03 0.00 0.01 0.00 0.00 46.19 44.28 2jmr s LEU 79 CO 0.37 0.15 1.30 -0.22 1.01 0.00 0.00 176.35 178.96 2jmr s LEU 80 N 0.52 4.24 0.94 1.79 2.96 -0.46 -0.87 118.68 127.81 2jmr s LEU 80 Ca 0.04 1.84 -0.11 0.00 -0.22 0.00 0.00 54.13 55.67 2jmr s LEU 80 Cb -0.13 -3.55 0.16 0.00 0.50 0.00 0.00 46.19 43.18 2jmr s LEU 80 CO 0.01 -0.72 1.09 0.00 -1.32 0.00 0.00 176.35 175.41 2jmr s ALA 81 N 3.05 1.17 1.22 5.97 0.00 -0.20 0.10 121.76 133.07 2jmr s ALA 81 Ca 0.58 0.13 -0.15 0.00 0.00 0.00 0.00 51.96 52.52 2jmr s ALA 81 Cb -0.25 -3.28 0.23 0.00 0.00 0.00 0.00 23.12 19.82 2jmr s ALA 81 CO 0.20 -2.72 0.72 1.28 0.00 0.00 0.00 175.76 175.24 2jmr n LEU 82 N -4.16 0.00 0.00 0.00 4.32 -1.26 -4.56 117.00 111.33 2jmr n LEU 82 Ca 0.08 -0.76 0.00 0.00 -0.02 0.00 0.00 56.01 55.31 2jmr n LEU 82 Cb 0.54 -0.70 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 2jmr n LEU 82 CO 0.54 -2.00 0.14 -1.84 -1.22 0.00 0.00 177.39 173.01 2jmr n GLU 83 N -4.09 0.00 -4.24 3.23 0.28 -1.25 -4.80 120.64 109.77 2jmr n GLU 83 Ca 0.10 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.78 2jmr n GLU 83 Cb 0.41 -1.32 -0.07 0.00 1.43 0.00 0.00 31.44 31.89 2jmr n GLU 83 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2jmr n ASN 84 N -0.77 0.11 -4.41 -1.84 5.15 -1.26 -4.95 115.26 107.29 2jmr n ASN 84 Ca 0.00 -1.25 -0.21 0.00 -0.60 0.00 0.00 54.58 52.52 2jmr n ASN 84 Cb 0.00 -1.78 -0.10 0.00 -0.53 0.00 0.00 39.78 37.36 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 -4.22 1.87 0.30 -0.44 -1.32 -1.26 -5.06 115.64 105.51 2jmr s THR 85 Ca 0.07 -2.22 0.04 0.00 -1.21 0.00 0.00 61.69 58.36 2jmr s THR 85 Cb -0.04 -2.25 0.08 0.00 -1.51 0.00 0.00 72.50 68.78 2jmr s THR 85 CO 0.98 -0.45 1.75 1.62 -2.21 0.00 0.00 174.62 176.32 2jmr h VAL 86 N 2.39 1.26 0.00 5.08 3.04 -1.94 -1.69 116.25 124.39 2jmr h VAL 86 Ca -0.39 -1.20 0.00 0.00 -1.01 0.00 0.00 66.70 64.09 2jmr h VAL 86 Cb 1.23 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.85 2jmr h VAL 86 CO 0.64 0.38 0.00 -1.20 -1.01 0.00 0.00 177.57 176.38 2jmr n SER 87 N -4.14 0.55 -4.96 3.17 7.64 -1.26 -4.72 113.62 109.90 2jmr n SER 87 Ca -0.00 0.68 -0.22 0.00 1.01 0.00 0.00 58.87 60.34 2jmr n SER 87 Cb 0.38 -0.78 -0.01 0.00 -1.01 0.00 0.00 64.21 62.79 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 -3.36 3.90 1.12 -0.43 0.00 -0.63 -3.74 121.76 118.61 2jmr s ALA 88 Ca 0.02 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.68 2jmr s ALA 88 Cb 0.08 -1.85 0.25 0.00 0.00 0.00 0.00 23.12 21.60 2jmr s ALA 88 CO 0.30 0.10 1.06 0.00 0.00 0.00 0.00 175.76 177.21 2jmr s ALA 89 N -2.13 0.23 0.33 0.00 0.00 -1.26 -4.80 121.76 114.13 2jmr s ALA 89 Ca 0.38 -0.40 0.10 0.00 0.00 0.00 0.00 51.96 52.04 2jmr s ALA 89 Cb -0.09 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 2jmr s ALA 89 CO 0.32 -3.44 -0.12 -1.12 0.00 0.00 0.00 175.76 171.39 2jmr s SER 90 N -3.16 3.69 -2.08 0.00 0.01 -1.25 -4.81 113.70 106.10 2jmr s SER 90 Ca 0.67 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2jmr s SER 90 Cb -0.20 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.70 2jmr s SER 90 CO 0.60 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.72 2jmr n GLY 91 N -0.74 1.55 3.17 3.44 0.00 -1.26 -4.65 105.19 106.71 2jmr n GLY 91 Ca -0.05 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.80 2.30 0.08 0.99 1.43 -1.26 -1.18 118.68 116.23 2jmr s LEU 92 Ca 0.00 -0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 52.44 2jmr s LEU 92 Cb 0.00 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.69 2jmr s LEU 92 CO 0.00 -0.10 0.01 -0.83 0.23 0.00 0.00 176.35 175.66 2jmr s GLY 93 N -1.85 0.57 0.19 -3.19 0.00 -0.67 -4.50 107.32 97.87 2jmr s GLY 93 Ca -0.01 -1.23 -0.16 0.00 0.00 0.00 0.00 44.72 43.33 2jmr s GLY 93 CO 0.02 -1.28 0.62 -0.42 0.00 0.00 0.00 173.10 172.04 2jmr s ILE 94 N -3.95 4.74 -0.27 0.90 -1.09 0.11 0.21 121.20 121.86 2jmr s ILE 94 Ca 0.11 0.99 0.03 0.00 -2.23 0.00 0.00 60.65 59.56 2jmr s ILE 94 Cb 0.08 -3.77 0.07 0.00 -1.58 0.00 0.00 42.46 37.25 2jmr s ILE 94 CO -0.07 0.20 -0.09 -1.58 -1.23 0.00 0.00 174.94 172.18 2jmr s GLN 95 N -2.04 2.10 -0.17 2.79 0.74 0.42 -1.35 119.66 122.15 2jmr s GLN 95 Ca 0.41 -1.40 0.01 0.00 0.05 0.00 0.00 55.36 54.43 2jmr s GLN 95 Cb -0.15 -2.91 0.02 0.00 1.10 0.00 0.00 33.01 31.06 2jmr s GLN 95 CO 0.20 -0.62 -0.20 -0.51 -0.55 0.00 0.00 175.29 173.61 2jmr s LEU 96 N 1.09 2.17 0.25 3.68 2.01 -1.26 -0.61 118.68 126.01 2jmr s LEU 96 Ca -0.06 -0.63 0.12 0.00 0.01 0.00 0.00 54.13 53.57 2jmr s LEU 96 Cb -0.20 -1.49 -0.05 0.00 0.01 0.00 0.00 46.19 44.47 2jmr s LEU 96 CO -0.06 0.02 -0.21 -0.76 1.01 0.00 0.00 176.35 176.35 2jmr s LEU 97 N 1.20 2.56 0.99 1.79 2.01 0.12 -4.10 118.68 123.25 2jmr s LEU 97 Ca 0.03 -0.96 -0.16 0.00 0.01 0.00 0.00 54.13 53.04 2jmr s LEU 97 Cb -0.14 -1.14 0.21 0.00 0.01 0.00 0.00 46.19 45.13 2jmr s LEU 97 CO -0.10 0.07 1.30 0.54 1.01 0.00 0.00 176.35 179.17 2jmr s ASN 98 N -3.24 2.90 0.20 2.29 6.03 -1.26 -2.10 114.94 119.76 2jmr s ASN 98 Ca 0.27 0.30 -0.13 0.00 -1.03 0.00 0.00 52.86 52.27 2jmr s ASN 98 Cb -0.06 -0.36 0.24 0.00 -3.03 0.00 0.00 41.25 38.04 2jmr s ASN 98 CO 0.13 -2.87 1.65 -0.08 -2.03 0.00 0.00 177.10 173.90 2jmr h GLU 99 N -1.73 0.04 0.00 3.55 4.22 -1.85 0.20 114.58 119.00 2jmr h GLU 99 Ca -0.44 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.99 2jmr h GLU 99 Cb 1.24 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2jmr h GLU 99 CO 0.38 0.03 0.00 1.04 -2.18 0.00 0.00 179.01 178.27 2jmr n GLN 100 N -5.36 0.64 -1.27 1.92 6.02 -1.26 -4.85 117.38 113.23 2jmr n GLN 100 Ca 0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.97 2jmr n GLN 100 Cb 0.32 -1.25 -0.04 0.00 1.02 0.00 0.00 30.24 30.29 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 -0.75 -1.74 -2.08 -1.09 6.02 0.70 -4.87 117.38 113.57 2jmr n GLN 101 Ca 0.08 0.82 -0.41 0.00 -0.01 0.00 0.00 57.00 57.48 2jmr n GLN 101 Cb 0.04 -5.26 -0.00 0.00 1.02 0.00 0.00 30.24 26.03 2jmr n GLN 101 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2jmr n ASN 102 N -1.15 6.08 -2.04 1.08 2.85 -1.26 -4.82 115.26 116.00 2jmr n ASN 102 Ca -0.09 -3.04 -0.07 0.00 -0.11 0.00 0.00 54.58 51.27 2jmr n ASN 102 Cb 0.58 -1.47 0.00 0.00 1.24 0.00 0.00 39.78 40.13 2jmr n ASN 102 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 2jmr n GLN 103 N 3.50 -0.35 -1.81 1.20 7.27 -1.26 -4.77 117.38 121.16 2jmr n GLN 103 Ca 0.51 0.23 -0.41 0.00 0.07 0.00 0.00 57.00 57.39 2jmr n GLN 103 Cb 0.32 -0.42 -0.01 0.00 2.41 0.00 0.00 30.24 32.54 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 -1.10 2.12 0.08 1.69 2.07 -1.26 -4.95 121.20 119.85 2jmr s ILE 104 Ca 0.04 0.10 -0.31 0.00 -1.41 0.00 0.00 60.65 59.08 2jmr s ILE 104 Cb -0.00 -3.07 -0.06 0.00 0.13 0.00 0.00 42.46 39.46 2jmr s ILE 104 CO 0.18 0.02 1.24 -2.16 -1.91 0.00 0.00 174.94 172.31 2jmr s PRO 105 N -0.91 4.41 0.74 3.50 0.04 -1.26 -4.76 135.00 136.76 2jmr s PRO 105 Ca 0.60 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 63.37 2jmr s PRO 105 Cb -0.47 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 30.78 2jmr s PRO 105 CO 0.51 -0.29 1.07 -0.51 0.04 0.00 0.00 177.00 177.83 2jmr s LEU 106 N 1.04 3.01 -1.56 -3.56 1.02 -1.26 -4.18 118.68 113.18 2jmr s LEU 106 Ca 0.60 1.64 -0.13 0.00 0.02 0.00 0.00 54.13 56.26 2jmr s LEU 106 Cb -0.31 -4.41 0.09 0.00 0.02 0.00 0.00 46.19 41.58 2jmr s LEU 106 CO 0.30 -1.73 0.82 0.59 0.02 0.00 0.00 176.35 176.35 2jmr n ASN 107 N -3.31 -3.42 -4.88 2.29 4.13 -1.12 -4.90 115.26 104.04 2jmr n ASN 107 Ca 0.08 -0.89 -0.24 0.00 1.68 0.00 0.00 54.58 55.20 2jmr n ASN 107 Cb 0.54 -3.40 -0.04 0.00 -1.54 0.00 0.00 39.78 35.34 2jmr n ASN 107 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jmr s ALA 108 N -3.41 3.77 0.70 5.41 0.00 -1.26 -5.12 121.76 121.85 2jmr s ALA 108 Ca 0.56 -1.20 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 2jmr s ALA 108 Cb -0.29 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.28 2jmr s ALA 108 CO 0.87 0.41 1.06 -1.25 0.00 0.00 0.00 175.76 176.86 2jmr s PRO 109 N -3.46 2.95 0.62 0.00 0.04 -1.26 -4.94 135.00 128.94 2jmr s PRO 109 Ca 0.33 0.81 0.32 0.00 0.04 0.00 0.00 61.00 62.50 2jmr s PRO 109 Cb -0.10 -2.00 1.76 0.00 0.04 0.00 0.00 34.50 34.20 2jmr s PRO 109 CO 0.26 -1.05 1.99 1.03 0.04 0.00 0.00 177.00 179.27 2jmr h SER 110 N -0.68 0.00 1.25 6.66 0.87 -1.94 -1.49 113.55 118.22 2jmr h SER 110 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2jmr h SER 110 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2jmr h SER 110 CO 0.59 0.00 0.00 -1.54 -0.53 0.00 0.00 176.83 175.35 2jmr n SER 111 N -2.83 0.46 -0.17 6.23 3.41 -1.26 -3.70 113.62 115.75 2jmr n SER 111 Ca -0.02 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.27 2jmr n SER 111 Cb 0.26 -0.67 0.60 0.00 -0.26 0.00 0.00 64.21 64.15 2jmr n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jmr n ALA 112 N -1.66 2.77 -3.27 7.33 0.00 -0.56 -4.89 120.51 120.23 2jmr n ALA 112 Ca 0.06 -0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.11 2jmr n ALA 112 Cb 0.39 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.37 0.22 0.35 0.00 -0.00 -1.24 -4.91 118.68 110.73 2jmr s LEU 113 Ca 0.31 -0.74 -0.17 0.00 -0.00 0.00 0.00 54.13 53.54 2jmr s LEU 113 Cb 0.20 1.97 0.06 0.00 -0.00 0.00 0.00 46.19 48.42 2jmr s LEU 113 CO 0.45 -1.12 0.85 -0.55 -0.00 0.00 0.00 176.35 175.98 2jmr s SER 114 N -2.95 0.03 0.25 1.48 0.15 -1.26 -4.90 113.70 106.49 2jmr s SER 114 Ca 0.16 -1.09 0.01 0.00 0.70 0.00 0.00 55.95 55.73 2jmr s SER 114 Cb -0.01 0.79 -0.05 0.00 -1.71 0.00 0.00 66.02 65.04 2jmr s SER 114 CO 0.04 -1.57 0.10 0.86 1.20 0.00 0.00 173.24 173.87 2jmr s TRP 115 N -2.15 1.48 0.48 3.44 -0.11 -1.26 -4.95 118.94 115.88 2jmr s TRP 115 Ca 0.17 -1.22 0.08 0.00 1.22 0.00 0.00 56.10 56.36 2jmr s TRP 115 Cb -0.05 -0.85 0.04 0.00 -1.50 0.00 0.00 33.47 31.11 2jmr s TRP 115 CO 0.10 -0.39 0.62 -0.08 -4.62 0.00 0.00 176.95 172.58 2jmr s THR 116 N -3.81 2.56 -0.44 5.86 -1.32 -1.26 -4.84 115.64 112.39 2jmr s THR 116 Ca 0.38 -1.07 -0.26 0.00 -1.21 0.00 0.00 61.69 59.52 2jmr s THR 116 Cb 0.08 -2.63 -0.06 0.00 -1.51 0.00 0.00 72.50 68.37 2jmr s THR 116 CO 0.14 0.00 2.37 -0.89 -2.21 0.00 0.00 174.62 174.03 2jmr s THR 117 N -2.51 3.01 0.10 5.08 2.01 -1.26 -4.35 115.64 117.72 2jmr s THR 117 Ca 0.55 0.01 -0.32 0.00 0.31 0.00 0.00 61.69 62.24 2jmr s THR 117 Cb -0.07 -3.02 -0.11 0.00 0.01 0.00 0.00 72.50 69.31 2jmr s THR 117 CO 0.34 -0.02 1.83 0.18 -0.69 0.00 0.00 174.62 176.26 2jmr n LEU 118 N 15.12 3.92 -4.74 4.42 4.77 -0.11 -4.96 117.00 135.42 2jmr n LEU 118 Ca 0.35 0.99 -0.41 0.00 -0.03 0.00 0.00 56.01 56.91 2jmr n LEU 118 Cb 0.53 -1.52 -0.04 0.00 -2.33 0.00 0.00 43.42 40.07 2jmr n LEU 118 CO 0.70 0.12 0.84 -0.89 -1.33 0.00 0.00 177.39 176.83 2jmr s THR 119 N 2.86 3.71 0.39 -5.08 2.01 -1.26 -4.85 115.64 113.42 2jmr s THR 119 Ca 0.83 1.46 -0.25 0.00 0.31 0.00 0.00 61.69 64.04 2jmr s THR 119 Cb -0.51 -3.93 -0.09 0.00 0.01 0.00 0.00 72.50 67.98 2jmr s THR 119 CO 0.39 0.24 1.12 -2.16 -0.69 0.00 0.00 174.62 173.53 2jmr s PRO 120 N -0.32 4.14 -0.79 4.92 0.04 -1.26 -3.86 135.00 137.86 2jmr s PRO 120 Ca 0.51 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2jmr s PRO 120 Cb -0.31 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2jmr s PRO 120 CO 0.36 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.59 2jmr n GLY 121 N 0.60 -0.30 3.48 0.56 0.00 -0.56 -4.93 105.19 104.03 2jmr n GLY 121 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.69 1.68 0.00 1.61 1.02 -1.25 -4.58 119.74 113.53 2jmr s LYS 122 Ca 0.00 -1.90 0.15 0.00 0.02 0.00 0.00 55.97 54.24 2jmr s LYS 122 Cb 0.00 -1.19 0.68 0.00 -0.52 0.00 0.00 37.83 36.80 2jmr s LYS 122 CO 0.00 -0.04 1.47 -0.35 -0.92 0.00 0.00 175.35 175.51 2jmr n PRO 123 N -0.70 0.06 -4.14 -1.68 -0.04 -1.26 -4.70 135.00 122.53 2jmr n PRO 123 Ca -0.04 0.22 -0.33 0.00 -0.04 0.00 0.00 63.50 63.30 2jmr n PRO 123 Cb 0.65 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.45 -2.63 -4.64 3.54 3.02 -1.26 -0.87 115.26 110.97 2jmr n ASN 124 Ca 0.05 -1.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.17 2jmr n ASN 124 Cb 0.16 -2.90 -0.03 0.00 -0.61 0.00 0.00 39.78 36.41 2jmr n ASN 124 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jmr n THR 125 N -4.42 0.65 -3.38 3.41 -1.04 -1.26 -4.49 114.28 103.76 2jmr n THR 125 Ca -0.03 -0.22 -0.21 0.00 -2.04 0.00 0.00 64.05 61.55 2jmr n THR 125 Cb 0.54 -2.35 0.01 0.00 -1.82 0.00 0.00 70.33 66.71 2jmr n THR 125 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2jmr s LEU 126 N 5.47 3.16 -0.50 -4.42 1.02 -1.26 -5.08 118.68 117.07 2jmr s LEU 126 Ca 0.93 -0.86 -0.15 0.00 0.02 0.00 0.00 54.13 54.07 2jmr s LEU 126 Cb -0.43 -1.78 0.10 0.00 0.02 0.00 0.00 46.19 44.10 2jmr s LEU 126 CO 0.41 -1.02 0.42 0.20 0.02 0.00 0.00 176.35 176.38 2jmr s ASN 127 N -4.39 6.09 0.44 2.29 -0.87 -1.26 -4.65 114.94 112.59 2jmr s ASN 127 Ca 0.50 -1.58 0.05 0.00 -1.57 0.00 0.00 52.86 50.26 2jmr s ASN 127 Cb -0.05 -2.16 -0.05 0.00 -0.02 0.00 0.00 41.25 38.96 2jmr s ASN 127 CO 0.31 -0.73 0.01 -0.36 -2.57 0.00 0.00 177.10 173.76 2jmr s PHE 128 N 1.58 2.25 0.01 2.20 0.08 -0.64 -2.50 117.98 120.97 2jmr s PHE 128 Ca 0.04 -0.79 -0.07 0.00 0.12 0.00 0.00 56.93 56.23 2jmr s PHE 128 Cb -0.27 -1.69 -0.00 0.00 -0.57 0.00 0.00 43.02 40.49 2jmr s PHE 128 CO 0.04 0.34 0.12 0.71 -0.10 0.00 0.00 175.22 176.33 2jmr s TYR 129 N -2.80 0.07 0.01 0.36 2.02 -0.89 -1.09 117.35 115.03 2jmr s TYR 129 Ca 0.24 -0.20 -0.02 0.00 -0.37 0.00 0.00 57.07 56.73 2jmr s TYR 129 Cb 0.07 -0.07 -0.01 0.00 -0.40 0.00 0.00 41.96 41.55 2jmr s TYR 129 CO 0.12 -0.29 0.03 0.00 -1.57 0.00 0.00 175.55 173.84 2jmr s ALA 130 N -1.49 -0.04 0.00 3.71 0.00 -0.09 -0.70 121.76 123.15 2jmr s ALA 130 Ca -0.14 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2jmr s ALA 130 Cb -0.07 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2jmr s ALA 130 CO 0.01 -0.13 0.00 -2.13 0.00 0.00 0.00 175.76 173.51 2jmr n ARG 131 N 1.95 0.00 -1.89 0.00 3.00 0.22 -1.79 116.66 118.15 2jmr n ARG 131 Ca -0.21 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.35 2jmr n ARG 131 Cb 0.56 0.00 0.15 0.00 0.00 0.00 0.00 32.46 33.18 2jmr n ARG 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2jmr s LEU 132 N 0.00 2.57 0.04 6.15 0.20 -1.26 -0.44 118.68 125.94 2jmr s LEU 132 Ca 0.00 0.46 -0.14 0.00 0.69 0.00 0.00 54.13 55.14 2jmr s LEU 132 Cb 0.00 -2.65 0.02 0.00 -0.43 0.00 0.00 46.19 43.13 2jmr s LEU 132 CO 0.00 -2.50 0.31 -0.32 -0.29 0.00 0.00 176.35 173.55 2jmr s MET 133 N -5.76 0.80 0.02 1.98 -2.45 0.13 -4.33 119.30 109.69 2jmr s MET 133 Ca 0.70 -0.47 -0.00 0.00 -1.25 0.00 0.00 55.69 54.66 2jmr s MET 133 Cb -0.07 0.35 -0.04 0.00 1.25 0.00 0.00 34.83 36.32 2jmr s MET 133 CO 0.52 -0.25 0.13 0.00 1.05 0.00 0.00 175.02 176.46 2jmr s ALA 134 N -2.43 3.75 0.00 4.11 0.00 -1.25 -1.66 121.76 124.28 2jmr s ALA 134 Ca -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2jmr s ALA 134 Cb -0.01 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2jmr s ALA 134 CO -0.03 0.74 0.00 0.25 0.00 0.00 0.00 175.76 176.72 2jmr n THR 135 N 0.88 0.00 -4.12 0.00 -2.24 -0.33 -4.67 114.28 103.80 2jmr n THR 135 Ca -0.11 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 2jmr n THR 135 Cb 0.52 -0.08 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 2jmr n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jmr n GLN 136 N -0.83 0.53 -2.62 -0.78 1.13 -0.62 -4.87 117.38 109.32 2jmr n GLN 136 Ca 0.00 -2.78 -0.25 0.00 -1.94 0.00 0.00 57.00 52.04 2jmr n GLN 136 Cb 0.09 2.49 -0.01 0.00 0.11 0.00 0.00 30.24 32.93 2jmr n GLN 136 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2jmr n VAL 137 N -0.55 2.25 0.13 5.09 0.24 -1.26 -4.65 118.33 119.59 2jmr n VAL 137 Ca 0.03 -4.83 0.06 0.00 -2.04 0.00 0.00 64.34 57.57 2jmr n VAL 137 Cb 0.55 -1.03 0.04 0.00 -1.47 0.00 0.00 33.84 31.93 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 -6.31 7.34 0.13 -1.83 -3.47 132.00 130.58 2jmr h PRO 138 Ca 0.21 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.88 2jmr h PRO 138 Cb 0.87 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.80 2jmr h PRO 138 CO 0.79 0.24 -0.69 1.33 -0.23 0.00 0.00 178.00 179.44 2jmr n VAL 139 N -3.02 -0.64 -2.59 1.56 0.24 -1.26 -4.93 118.33 107.68 2jmr n VAL 139 Ca -0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 2jmr n VAL 139 Cb 0.67 -1.24 -0.02 0.00 -1.47 0.00 0.00 33.84 31.77 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 -3.03 4.22 1.12 3.34 2.01 -1.26 -4.83 115.64 117.21 2jmr s THR 140 Ca 0.60 1.28 -0.14 0.00 0.31 0.00 0.00 61.69 63.73 2jmr s THR 140 Cb -0.33 -4.55 0.20 0.00 0.01 0.00 0.00 72.50 67.84 2jmr s THR 140 CO 0.73 -0.91 0.68 0.00 -0.69 0.00 0.00 174.62 174.42 2jmr n ALA 141 N 7.78 -3.08 0.00 7.40 0.00 -1.26 -3.75 120.51 127.60 2jmr n ALA 141 Ca 0.12 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2jmr n ALA 141 Cb 0.49 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.08 2jmr n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jmr n GLY 142 N 1.29 1.56 3.79 0.00 0.00 -1.22 -4.10 105.19 106.51 2jmr n GLY 142 Ca 0.03 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 2.79 -0.25 1.61 0.00 -1.25 -0.13 115.29 116.07 2jmr s HIS 143 Ca 0.00 1.21 -0.05 0.00 -3.00 0.00 0.00 55.06 53.22 2jmr s HIS 143 Cb 0.00 -3.10 0.00 0.00 -4.00 0.00 0.00 32.58 25.49 2jmr s HIS 143 CO 0.00 -1.79 0.00 0.42 -1.00 0.00 0.00 174.74 172.37 2jmr s ILE 144 N -3.11 3.54 0.00 -5.38 1.01 -1.26 -3.98 121.20 112.02 2jmr s ILE 144 Ca 0.61 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.67 2jmr s ILE 144 Cb -0.15 -2.73 0.09 0.00 0.01 0.00 0.00 42.46 39.69 2jmr s ILE 144 CO 0.55 0.26 0.93 0.59 0.00 0.00 0.00 174.94 177.26 2jmr n ASN 145 N 4.80 0.11 -4.52 3.58 4.13 -1.26 -4.50 115.26 117.60 2jmr n ASN 145 Ca -0.16 -1.78 -0.29 0.00 1.68 0.00 0.00 54.58 54.03 2jmr n ASN 145 Cb 0.49 -0.13 0.24 0.00 -1.54 0.00 0.00 39.78 38.84 2jmr n ASN 145 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jmr s ALA 146 N 0.00 -0.12 0.00 5.41 0.00 -1.26 -3.91 121.76 121.89 2jmr s ALA 146 Ca 0.07 0.03 -0.25 0.00 0.00 0.00 0.00 51.96 51.81 2jmr s ALA 146 Cb 0.08 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 19.97 2jmr s ALA 146 CO -0.04 -3.66 0.56 -0.08 0.00 0.00 0.00 175.76 172.55 2jmr s THR 147 N -2.49 0.02 0.20 0.00 -1.32 -1.26 -4.14 115.64 106.65 2jmr s THR 147 Ca 0.68 -0.16 -0.23 0.00 -1.21 0.00 0.00 61.69 60.77 2jmr s THR 147 Cb -0.25 -0.94 0.05 0.00 -1.51 0.00 0.00 72.50 69.86 2jmr s THR 147 CO 0.63 -0.09 0.77 0.00 -2.21 0.00 0.00 174.62 173.73 2jmr s ALA 148 N -1.80 -1.45 -0.47 11.08 0.00 -1.23 -4.55 121.76 123.34 2jmr s ALA 148 Ca -0.09 0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.97 2jmr s ALA 148 Cb -0.01 0.77 0.13 0.00 0.00 0.00 0.00 23.12 24.01 2jmr s ALA 148 CO 0.04 -0.96 0.24 0.95 0.00 0.00 0.00 175.76 176.02 2jmr s THR 149 N -3.66 1.94 -0.41 0.00 -4.23 -0.29 -1.76 115.64 107.24 2jmr s THR 149 Ca 0.09 -2.85 -0.29 0.00 -1.18 0.00 0.00 61.69 57.46 2jmr s THR 149 Cb -0.03 -2.36 0.02 0.00 1.34 0.00 0.00 72.50 71.47 2jmr s THR 149 CO 0.01 -0.83 1.16 0.72 -0.54 0.00 0.00 174.62 175.13 2jmr s PHE 150 N 0.13 2.86 0.10 3.99 -0.71 -1.26 -2.41 117.98 120.67 2jmr s PHE 150 Ca 0.17 0.87 0.09 0.00 -1.04 0.00 0.00 56.93 57.01 2jmr s PHE 150 Cb -0.25 -4.16 -0.04 0.00 -1.21 0.00 0.00 43.02 37.37 2jmr s PHE 150 CO -0.01 -1.23 -0.19 -0.08 -1.34 0.00 0.00 175.22 172.36 2jmr s THR 151 N 4.31 2.73 0.01 -4.49 -1.32 -0.10 -4.74 115.64 112.03 2jmr s THR 151 Ca 0.49 -1.45 0.05 0.00 -1.21 0.00 0.00 61.69 59.58 2jmr s THR 151 Cb -0.10 -2.21 -0.02 0.00 -1.51 0.00 0.00 72.50 68.66 2jmr s THR 151 CO 0.26 0.17 -0.17 -0.76 -2.21 0.00 0.00 174.62 171.92 2jmr s LEU 152 N -1.91 2.08 -0.43 9.08 2.01 -1.26 -0.49 118.68 127.76 2jmr s LEU 152 Ca 0.16 -0.36 0.03 0.00 0.01 0.00 0.00 54.13 53.97 2jmr s LEU 152 Cb -0.10 -0.82 0.12 0.00 0.01 0.00 0.00 46.19 45.39 2jmr s LEU 152 CO 0.08 0.17 0.18 -0.70 1.01 0.00 0.00 176.35 177.08 2jmr s GLU 153 N -0.64 1.53 0.69 1.70 2.12 0.03 -4.81 118.70 119.32 2jmr s GLU 153 Ca 0.06 -2.10 -0.11 0.00 0.36 0.00 0.00 54.97 53.18 2jmr s GLU 153 Cb -0.07 -2.90 0.01 0.00 0.26 0.00 0.00 34.13 31.43 2jmr s GLU 153 CO 0.00 -1.06 1.08 0.71 -0.54 0.00 0.00 175.26 175.45 2jmr s TYR 154 N 0.41 3.35 -0.30 5.30 1.51 -1.26 -0.55 117.35 125.81 2jmr s TYR 154 Ca 0.15 1.05 -0.28 0.00 -1.01 0.00 0.00 57.07 56.97 2jmr s TYR 154 Cb -0.23 -3.01 -0.04 0.00 -0.11 0.00 0.00 41.96 38.57 2jmr s TYR 154 CO -0.05 -1.11 2.10 -0.65 -1.11 0.00 0.00 175.55 174.73 2jmr s GLN 155 N -5.32 3.06 0.12 -0.62 1.11 -1.26 -4.95 119.66 111.81 2jmr s GLN 155 Ca 0.58 1.73 0.11 0.00 0.01 0.00 0.00 55.36 57.78 2jmr s GLN 155 Cb -0.11 -4.34 -0.04 0.00 -1.01 0.00 0.00 33.01 27.51 2jmr s GLN 155 CO 0.52 -2.18 -0.27 0.16 0.01 0.00 0.00 175.29 173.52 2jmr s ASP 156 N 8.05 3.30 0.00 5.90 -4.77 -1.26 -4.85 116.67 123.05 2jmr s ASP 156 Ca 0.93 -0.74 0.00 0.00 -3.30 0.00 0.00 52.55 49.44 2jmr s ASP 156 Cb -0.27 -0.23 0.00 0.00 -1.09 0.00 0.00 42.92 41.33 2jmr s ASP 156 CO 0.33 0.19 0.20 0.59 0.70 0.00 0.00 175.17 177.18 2jmr n ASN 157 N 0.98 0.00 -4.26 2.11 5.03 -1.26 -4.93 115.26 112.93 2jmr n ASN 157 Ca -0.18 0.20 -0.22 0.00 0.87 0.00 0.00 54.58 55.25 2jmr n ASN 157 Cb 0.53 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 39.17 2jmr n ASN 157 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2jmr s HIS 158 N -0.40 1.65 0.33 3.10 3.76 -1.26 -5.16 115.29 117.31 2jmr s HIS 158 Ca 0.00 -0.44 -0.15 0.00 -0.15 0.00 0.00 55.06 54.32 2jmr s HIS 158 Cb 0.00 -0.90 0.03 0.00 1.11 0.00 0.00 32.58 32.82 2jmr s HIS 158 CO 0.00 0.18 0.69 -1.01 -0.85 0.00 0.00 174.74 173.75 2jmr s HIS 159 N -1.28 0.16 -0.18 1.40 3.76 -1.26 -5.13 115.29 112.77 2jmr s HIS 159 Ca 0.05 -0.68 -0.04 0.00 -0.15 0.00 0.00 55.06 54.24 2jmr s HIS 159 Cb -0.10 0.61 0.06 0.00 1.11 0.00 0.00 32.58 34.27 2jmr s HIS 159 CO 0.04 -1.35 0.07 -1.58 -0.85 0.00 0.00 174.74 171.07 2jmr s HIS 160 N -3.11 0.54 0.00 1.40 2.46 -1.26 -4.85 115.29 110.48 2jmr s HIS 160 Ca 0.17 -0.54 0.00 0.00 0.47 0.00 0.00 55.06 55.16 2jmr s HIS 160 Cb -0.04 -0.83 0.00 0.00 -0.13 0.00 0.00 32.58 31.57 2jmr s HIS 160 CO 0.11 -0.55 0.00 0.72 -2.47 0.00 0.00 174.74 172.55 2jmr n HIS 161 N 5.18 0.00 -0.27 3.88 8.25 -1.26 -4.85 115.22 126.15 2jmr n HIS 161 Ca -0.08 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.43 2jmr n HIS 161 Cb 0.48 -1.35 0.19 0.00 1.12 0.00 0.00 29.99 30.43 2jmr n HIS 161 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jmr h HIS 162 N 0.00 0.69 0.00 4.41 6.17 -2.00 0.05 115.15 124.47 2jmr h HIS 162 Ca 0.00 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.10 2jmr h HIS 162 Cb 0.11 -0.19 -0.00 0.00 2.52 0.00 0.00 27.41 29.84 2jmr h HIS 162 CO 0.07 0.19 -0.04 1.12 0.71 0.00 0.00 177.93 179.98 2jmr h HIS 163 N 0.60 0.00 -0.75 5.26 2.07 -1.96 -3.46 115.15 116.92 2jmr h HIS 163 Ca 0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.94 2jmr h HIS 163 Cb 0.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.52 2jmr h HIS 163 CO -0.11 0.04 0.00 1.17 -3.07 0.00 0.00 177.93 175.96 2jmr n LYS 164 N -3.50 -1.03 0.02 5.12 4.81 0.00 -4.81 118.16 118.77 2jmr n LYS 164 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2jmr n LYS 164 Cb 0.15 -2.32 0.02 0.00 0.02 0.00 0.00 35.03 32.90 2jmr n LYS 164 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2jmr n GLN 165 N -0.37 0.01 -0.25 1.64 1.13 -1.26 -0.60 117.38 117.67 2jmr n GLN 165 Ca 0.00 0.21 -0.04 0.00 -1.94 0.00 0.00 57.00 55.23 2jmr n GLN 165 Cb 0.00 -1.86 0.04 0.00 0.11 0.00 0.00 30.24 28.53 2jmr n GLN 165 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jmr n ALA 166 N -1.20 3.12 0.13 -1.58 0.00 -1.26 -3.55 120.51 116.16 2jmr n ALA 166 Ca -0.00 -0.58 0.02 0.00 0.00 0.00 0.00 53.44 52.87 2jmr n ALA 166 Cb 0.34 -1.09 0.02 0.00 0.00 0.00 0.00 19.45 18.72 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 0.16 1.34 -4.45 0.00 5.75 0.23 -4.86 116.55 114.71 2jmr n ASP 167 Ca 0.12 -1.19 -0.42 0.00 -0.01 0.00 0.00 54.79 53.29 2jmr n ASP 167 Cb 0.72 -0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.81 2jmr n ASP 167 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2jmr n SER 168 N 0.16 -0.86 -3.69 -1.12 2.88 -1.23 -4.92 113.62 104.84 2jmr n SER 168 Ca 0.02 0.91 -0.30 0.00 -1.33 0.00 0.00 58.87 58.17 2jmr n SER 168 Cb 0.10 -1.12 -0.15 0.00 -0.75 0.00 0.00 64.21 62.29 2jmr n SER 168 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2jmr s THR 169 N -1.47 0.78 0.32 2.46 2.01 0.09 -4.06 115.64 115.75 2jmr s THR 169 Ca 0.63 -1.47 -0.27 0.00 0.31 0.00 0.00 61.69 60.89 2jmr s THR 169 Cb -0.60 -1.59 -0.10 0.00 0.01 0.00 0.00 72.50 70.23 2jmr s THR 169 CO 0.58 -0.73 0.98 -0.51 -0.69 0.00 0.00 174.62 174.25 2jmr s ILE 170 N 1.50 4.02 -0.21 1.82 -1.16 -0.72 -3.17 121.20 123.28 2jmr s ILE 170 Ca 0.11 1.75 -0.02 0.00 -0.51 0.00 0.00 60.65 61.98 2jmr s ILE 170 Cb -0.18 -4.01 0.06 0.00 0.61 0.00 0.00 42.46 38.94 2jmr s ILE 170 CO -0.22 0.21 0.03 -0.89 -2.81 0.00 0.00 174.94 171.26 2jmr s THR 171 N -1.49 0.61 0.38 4.00 2.01 -0.89 -3.50 115.64 116.75 2jmr s THR 171 Ca 0.49 -0.66 -0.13 0.00 0.31 0.00 0.00 61.69 61.70 2jmr s THR 171 Cb -0.22 -1.12 -0.08 0.00 0.01 0.00 0.00 72.50 71.09 2jmr s THR 171 CO 0.28 -0.24 0.78 -0.63 -0.69 0.00 0.00 174.62 174.12 2jmr s ILE 172 N 1.81 4.72 0.47 1.82 1.01 -1.26 -0.32 121.20 129.46 2jmr s ILE 172 Ca -0.01 0.80 0.04 0.00 0.00 0.00 0.00 60.65 61.49 2jmr s ILE 172 Cb -0.17 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 2jmr s ILE 172 CO -0.09 -0.40 0.11 -0.13 0.00 0.00 0.00 174.94 174.43 2jmr s ARG 173 N -3.53 2.17 0.00 2.79 1.81 0.62 -4.21 118.95 118.60 2jmr s ARG 173 Ca 0.53 -2.15 0.00 0.00 -1.72 0.00 0.00 55.73 52.39 2jmr s ARG 173 Cb -0.10 -1.75 0.00 0.00 -0.45 0.00 0.00 34.95 32.64 2jmr s ARG 173 CO 0.26 -0.29 0.00 0.41 -0.68 0.00 0.00 175.30 175.00 2jmr n GLY 174 N -1.29 -0.90 3.52 -3.53 0.00 -1.26 -4.28 105.19 97.45 2jmr n GLY 174 Ca -0.09 0.24 -0.53 0.00 0.00 0.00 0.00 46.02 45.64 2jmr n GLY 174 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2jmr n TYR 175 N 0.00 0.75 -2.88 1.61 9.36 -1.26 -3.95 117.16 120.79 2jmr n TYR 175 Ca 0.00 0.88 -0.43 0.00 3.32 0.00 0.00 57.90 61.67 2jmr n TYR 175 Cb 0.00 -2.15 -0.05 0.00 -0.63 0.00 0.00 39.34 36.51 2jmr n TYR 175 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2jmr s VAL 176 N -0.14 4.56 -0.50 2.97 1.01 0.82 -2.96 120.40 126.16 2jmr s VAL 176 Ca 0.81 0.65 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 2jmr s VAL 176 Cb -1.06 -4.37 0.03 0.00 0.00 0.00 0.00 36.38 30.98 2jmr s VAL 176 CO 0.54 -0.76 1.16 -0.13 0.00 0.00 0.00 175.10 175.92 2jmr s ARG 177 N 3.53 3.67 0.29 2.72 1.81 0.87 -3.38 118.95 128.47 2jmr s ARG 177 Ca 0.34 0.51 0.03 0.00 -1.72 0.00 0.00 55.73 54.90 2jmr s ARG 177 Cb -0.11 -3.94 0.75 0.00 -0.45 0.00 0.00 34.95 31.20 2jmr s ARG 177 CO 0.24 -1.46 1.65 0.22 -0.68 0.00 0.00 175.30 175.27 2jmr h ASP 178 N 9.38 0.05 0.00 0.23 3.58 -1.93 0.24 116.42 127.96 2jmr h ASP 178 Ca -0.24 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2jmr h ASP 178 Cb 1.06 0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.37 2jmr h ASP 178 CO 1.14 -0.15 0.00 -3.20 -2.88 0.00 0.00 179.24 174.15