#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 0.31 0.95 3.04 0.00 -1.26 -4.84 120.51 118.70 2jmr n ALA 2 Ca 0.00 0.47 0.09 0.00 0.00 0.00 0.00 53.44 54.00 2jmr n ALA 2 Cb 0.00 -2.21 0.49 0.00 0.00 0.00 0.00 19.45 17.73 2jmr n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jmr n ASP 3 N 2.74 0.00 0.00 0.00 2.03 -1.26 -2.60 116.55 117.46 2jmr n ASP 3 Ca 0.16 -0.10 0.04 0.00 0.52 0.00 0.00 54.79 55.42 2jmr n ASP 3 Cb 0.26 -0.23 0.22 0.00 -0.72 0.00 0.00 41.12 40.64 2jmr n ASP 3 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jmr n SER 4 N -1.23 0.00 -3.85 1.67 7.64 -1.26 -4.46 113.62 112.12 2jmr n SER 4 Ca 0.10 -0.01 -0.13 0.00 1.01 0.00 0.00 58.87 59.85 2jmr n SER 4 Cb 0.13 -0.17 -0.14 0.00 -1.01 0.00 0.00 64.21 63.02 2jmr n SER 4 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jmr s THR 5 N -2.34 -0.01 0.04 0.44 -1.32 -1.07 -5.04 115.64 106.34 2jmr s THR 5 Ca 0.10 0.04 -0.02 0.00 -1.21 0.00 0.00 61.69 60.59 2jmr s THR 5 Cb 0.06 -0.03 -0.02 0.00 -1.51 0.00 0.00 72.50 70.99 2jmr s THR 5 CO 0.11 0.02 0.02 0.27 -2.21 0.00 0.00 174.62 172.82 2jmr s ILE 6 N 0.20 0.15 -2.00 5.08 -5.25 -1.26 -4.64 121.20 113.48 2jmr s ILE 6 Ca -0.02 -1.25 0.22 0.00 -0.99 0.00 0.00 60.65 58.62 2jmr s ILE 6 Cb -0.02 -0.87 0.64 0.00 2.95 0.00 0.00 42.46 45.16 2jmr s ILE 6 CO -0.01 -0.69 1.77 1.07 -1.79 0.00 0.00 174.94 175.29 2jmr n THR 7 N 0.85 0.00 0.26 8.37 5.66 -1.26 -3.87 114.28 124.29 2jmr n THR 7 Ca -0.19 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 60.93 2jmr n THR 7 Cb 0.58 -0.51 0.77 0.00 -1.55 0.00 0.00 70.33 69.62 2jmr n THR 7 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2jmr h ILE 8 N 0.00 0.76 -2.11 1.09 1.08 -1.95 -3.44 117.51 112.94 2jmr h ILE 8 Ca 0.00 0.00 -0.62 0.00 -0.39 0.00 0.00 64.86 63.85 2jmr h ILE 8 Cb 0.00 0.98 0.06 0.00 -3.07 0.00 0.00 36.82 34.79 2jmr h ILE 8 CO 0.00 0.00 0.62 -1.14 -0.69 0.00 0.00 178.15 176.94 2jmr n ARG 9 N -4.20 1.73 -1.13 2.37 3.00 -1.25 -3.57 116.66 113.61 2jmr n ARG 9 Ca -0.02 0.62 0.00 0.00 -0.00 0.00 0.00 57.85 58.45 2jmr n ARG 9 Cb 0.12 -2.31 0.00 0.00 0.00 0.00 0.00 32.46 30.27 2jmr n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jmr n GLY 10 N 2.84 -0.21 0.93 5.14 0.00 -1.26 -5.05 105.19 107.57 2jmr n GLY 10 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.54 0.00 0.00 1.61 4.11 -1.23 -5.10 117.16 116.01 2jmr n TYR 11 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2jmr n TYR 11 Cb 0.16 0.10 0.00 0.00 -0.00 0.00 0.00 39.34 39.60 2jmr n TYR 11 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 2jmr n VAL 12 N -2.08 0.00 -3.54 -3.48 0.31 -1.26 -5.03 118.33 103.24 2jmr n VAL 12 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 2jmr n VAL 12 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 2jmr n VAL 12 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2jmr s ARG 13 N -0.87 0.44 0.51 5.55 3.00 -1.26 -5.03 118.95 121.29 2jmr s ARG 13 Ca 0.00 -0.97 0.24 0.00 -1.00 0.00 0.00 55.73 54.01 2jmr s ARG 13 Cb 0.00 -1.37 1.34 0.00 0.00 0.00 0.00 34.95 34.92 2jmr s ARG 13 CO 0.00 -1.09 1.97 -0.44 0.00 0.00 0.00 175.30 175.74 2jmr h ASP 14 N 7.77 0.07 -2.41 -2.12 3.32 -1.95 -2.98 116.42 118.12 2jmr h ASP 14 Ca -0.09 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.32 2jmr h ASP 14 Cb 0.99 -0.01 -0.15 0.00 0.22 0.00 0.00 39.33 40.38 2jmr h ASP 14 CO 0.38 0.04 0.75 0.20 -1.72 0.00 0.00 179.24 178.89 2jmr s ASN 15 N -6.12 6.38 0.00 6.45 0.02 -1.25 -2.90 114.94 117.51 2jmr s ASN 15 Ca -0.06 -1.43 0.00 0.00 -1.02 0.00 0.00 52.86 50.36 2jmr s ASN 15 Cb 0.20 -2.43 0.00 0.00 0.02 0.00 0.00 41.25 39.04 2jmr s ASN 15 CO 0.74 -1.31 0.00 0.61 0.02 0.00 0.00 177.10 177.16 2jmr n GLY 16 N 5.54 2.38 3.59 0.66 0.00 -1.13 -5.08 105.19 111.16 2jmr n GLY 16 Ca 0.10 -0.73 -0.47 0.00 0.00 0.00 0.00 46.02 44.93 2jmr n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr s SER 18 N -0.14 6.05 0.59 0.00 0.01 -0.34 -4.98 113.70 114.87 2jmr s SER 18 Ca 0.68 2.16 -0.18 0.00 1.31 0.00 0.00 55.95 59.92 2jmr s SER 18 Cb -0.77 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 62.84 2jmr s SER 18 CO 0.54 -0.99 1.12 0.54 0.41 0.00 0.00 173.24 174.86 2jmr s VAL 19 N -1.73 3.22 0.64 3.43 0.11 -1.26 -2.11 120.40 122.70 2jmr s VAL 19 Ca 0.68 0.68 -0.10 0.00 -2.93 0.00 0.00 61.98 60.30 2jmr s VAL 19 Cb -0.24 -3.22 -0.02 0.00 -1.53 0.00 0.00 36.38 31.37 2jmr s VAL 19 CO 0.28 -0.24 1.03 0.00 -3.33 0.00 0.00 175.10 172.84 2jmr s ALA 20 N -2.01 3.07 -0.57 1.54 0.00 -0.60 -4.53 121.76 118.66 2jmr s ALA 20 Ca 0.70 -0.25 0.16 0.00 0.00 0.00 0.00 51.96 52.58 2jmr s ALA 20 Cb -0.22 -2.99 0.77 0.00 0.00 0.00 0.00 23.12 20.67 2jmr s ALA 20 CO 0.32 -0.82 1.49 0.00 0.00 0.00 0.00 175.76 176.75 2jmr n ALA 21 N -2.79 1.27 -0.61 0.00 0.00 -1.26 -1.57 120.51 115.55 2jmr n ALA 21 Ca 0.06 0.09 -0.16 0.00 0.00 0.00 0.00 53.44 53.43 2jmr n ALA 21 Cb 0.55 -1.25 0.14 0.00 0.00 0.00 0.00 19.45 18.90 2jmr n ALA 21 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jmr n GLU 22 N -1.97 2.02 0.05 0.00 0.28 -1.26 -4.39 120.64 115.37 2jmr n GLU 22 Ca 0.00 -2.19 0.00 0.00 -0.16 0.00 0.00 57.16 54.81 2jmr n GLU 22 Cb 0.09 -1.87 0.00 0.00 1.43 0.00 0.00 31.44 31.09 2jmr n GLU 22 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2jmr n SER 23 N -0.63 -0.25 -4.77 -1.84 2.88 -0.61 -4.71 113.62 103.68 2jmr n SER 23 Ca 0.42 0.17 -0.37 0.00 -1.33 0.00 0.00 58.87 57.77 2jmr n SER 23 Cb 1.33 0.35 -0.02 0.00 -0.75 0.00 0.00 64.21 65.13 2jmr n SER 23 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2jmr s THR 24 N -2.00 3.27 -1.09 2.46 -1.32 -0.97 -4.13 115.64 111.86 2jmr s THR 24 Ca 0.00 0.94 -0.20 0.00 -1.21 0.00 0.00 61.69 61.22 2jmr s THR 24 Cb 0.00 -3.47 0.00 0.00 -1.51 0.00 0.00 72.50 67.53 2jmr s THR 24 CO 0.00 -0.03 0.75 0.59 -2.21 0.00 0.00 174.62 173.72 2jmr n ASN 25 N -0.48 -5.22 -4.13 8.08 3.02 -1.26 -4.67 115.26 110.59 2jmr n ASN 25 Ca 0.07 -1.01 -0.15 0.00 -0.03 0.00 0.00 54.58 53.46 2jmr n ASN 25 Cb 0.49 -2.96 -0.10 0.00 -0.61 0.00 0.00 39.78 36.60 2jmr n ASN 25 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2jmr s PHE 26 N -3.39 1.40 -0.08 3.10 -0.71 -1.25 -4.93 117.98 112.12 2jmr s PHE 26 Ca 0.39 -1.34 -0.01 0.00 -1.04 0.00 0.00 56.93 54.93 2jmr s PHE 26 Cb -0.16 -0.73 -0.03 0.00 -1.21 0.00 0.00 43.02 40.89 2jmr s PHE 26 CO 0.88 -0.54 -0.01 0.99 -1.34 0.00 0.00 175.22 175.20 2jmr s THR 27 N -3.88 4.21 -0.45 -4.49 2.01 -1.26 -4.34 115.64 107.43 2jmr s THR 27 Ca 0.38 -0.29 -0.18 0.00 0.31 0.00 0.00 61.69 61.91 2jmr s THR 27 Cb 0.06 -2.76 0.04 0.00 0.01 0.00 0.00 72.50 69.85 2jmr s THR 27 CO 0.15 0.60 0.52 -0.69 -0.69 0.00 0.00 174.62 174.52 2jmr s VAL 28 N -0.86 4.99 0.21 3.82 1.01 -0.89 -5.03 120.40 123.65 2jmr s VAL 28 Ca 0.13 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 2jmr s VAL 28 Cb -0.11 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 2jmr s VAL 28 CO 0.02 -0.58 1.01 -0.62 0.00 0.00 0.00 175.10 174.93 2jmr s ASP 29 N 2.15 7.47 -0.01 3.32 2.15 -1.26 -2.05 116.67 128.43 2jmr s ASP 29 Ca 0.14 2.02 0.02 0.00 0.43 0.00 0.00 52.55 55.16 2jmr s ASP 29 Cb -0.18 -2.61 0.03 0.00 -0.30 0.00 0.00 42.92 39.87 2jmr s ASP 29 CO 0.14 -0.02 0.90 -0.11 -0.17 0.00 0.00 175.17 175.91 2jmr n LEU 30 N 1.83 0.33 -1.46 -1.34 7.94 -1.25 -4.92 117.00 118.13 2jmr n LEU 30 Ca -0.00 -1.04 0.20 0.00 -1.11 0.00 0.00 56.01 54.06 2jmr n LEU 30 Cb 0.47 -0.05 -0.05 0.00 0.53 0.00 0.00 43.42 44.32 2jmr n LEU 30 CO 0.52 0.25 -0.31 1.15 -1.11 0.00 0.00 177.39 177.89 2jmr n MET 31 N -0.18 -2.98 -1.49 1.96 0.00 -1.26 -4.89 117.12 108.28 2jmr n MET 31 Ca 0.02 2.03 -0.29 0.00 0.00 0.00 0.00 57.70 59.45 2jmr n MET 31 Cb 0.63 -3.62 0.15 0.00 0.00 0.00 0.00 33.22 30.38 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 -2.46 0.89 0.19 3.17 8.01 -1.26 -4.09 118.70 123.14 2jmr s GLU 32 Ca 0.00 0.26 -0.05 0.00 0.01 0.00 0.00 54.97 55.19 2jmr s GLU 32 Cb 0.00 -1.81 -0.03 0.00 -4.31 0.00 0.00 34.13 27.98 2jmr s GLU 32 CO 0.00 -2.36 0.22 0.54 0.01 0.00 0.00 175.26 173.67 2jmr s ASN 33 N -4.00 0.11 0.17 -0.19 2.20 -0.57 -4.88 114.94 107.78 2jmr s ASN 33 Ca 0.65 -1.13 -0.13 0.00 -0.94 0.00 0.00 52.86 51.30 2jmr s ASN 33 Cb -0.14 0.42 -0.07 0.00 -2.00 0.00 0.00 41.25 39.45 2jmr s ASN 33 CO 0.54 -0.89 0.55 0.00 -2.94 0.00 0.00 177.10 174.36 2jmr s ALA 34 N -4.06 3.57 0.34 3.54 0.00 -1.26 -0.09 121.76 123.79 2jmr s ALA 34 Ca 0.27 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.13 2jmr s ALA 34 Cb 0.05 -2.51 0.61 0.00 0.00 0.00 0.00 23.12 21.27 2jmr s ALA 34 CO 0.06 0.46 1.86 0.00 0.00 0.00 0.00 175.76 178.15 2jmr h ALA 35 N 3.34 1.36 0.00 0.00 0.00 -0.63 -3.39 119.26 119.94 2jmr h ALA 35 Ca -0.48 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 2jmr h ALA 35 Cb 1.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2jmr h ALA 35 CO 0.66 0.44 -0.91 0.87 0.00 0.00 0.00 179.25 180.31 2jmr h LYS 36 N 0.44 0.00 0.00 0.00 1.79 -1.81 -2.76 116.57 114.24 2jmr h LYS 36 Ca 0.09 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 2jmr h LYS 36 Cb 0.38 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2jmr h LYS 36 CO 0.02 0.11 -0.07 -0.56 -1.08 0.00 0.00 179.45 177.87 2jmr h GLN 37 N 0.00 0.00 -6.12 3.15 3.07 -1.89 -3.42 115.11 109.90 2jmr h GLN 37 Ca -0.04 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 58.12 2jmr h GLN 37 Cb 1.17 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.65 2jmr h GLN 37 CO 0.02 0.07 0.71 -0.06 0.09 0.00 0.00 178.83 179.65 2jmr s PHE 38 N -4.63 3.20 0.00 0.06 0.08 -1.04 -4.85 117.98 110.79 2jmr s PHE 38 Ca -0.04 1.13 0.11 0.00 0.12 0.00 0.00 56.93 58.25 2jmr s PHE 38 Cb 0.15 -3.48 0.18 0.00 -0.57 0.00 0.00 43.02 39.30 2jmr s PHE 38 CO 0.61 -0.66 1.03 0.27 -0.10 0.00 0.00 175.22 176.37 2jmr n ASN 39 N 6.59 0.02 0.00 1.36 6.94 -1.26 -4.84 115.26 124.06 2jmr n ASN 39 Ca 0.10 -1.91 0.00 0.00 -0.02 0.00 0.00 54.58 52.75 2jmr n ASN 39 Cb 0.47 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 2jmr n ASN 39 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2jmr n ASN 40 N 0.21 0.00 -0.46 0.53 6.94 -1.26 -4.93 115.26 116.28 2jmr n ASN 40 Ca -0.09 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.58 2jmr n ASN 40 Cb 0.87 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 38.30 2jmr n ASN 40 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2jmr n ILE 41 N -0.02 0.00 0.60 1.53 -0.00 -1.26 -3.24 119.36 116.97 2jmr n ILE 41 Ca 0.00 -0.24 0.13 0.00 -0.00 0.00 0.00 62.75 62.64 2jmr n ILE 41 Cb 0.00 1.20 0.37 0.00 -0.00 0.00 0.00 39.64 41.21 2jmr n ILE 41 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 2jmr h GLY 42 N 4.86 0.00 -6.99 7.39 0.00 -1.98 -3.44 103.07 102.91 2jmr h GLY 42 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2jmr h GLY 42 CO 0.00 0.00 1.35 0.00 0.00 0.00 0.00 176.54 177.89 2jmr s ALA 43 N -3.11 2.72 -0.08 3.60 0.00 -1.20 -4.94 121.76 118.75 2jmr s ALA 43 Ca 0.10 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.40 2jmr s ALA 43 Cb 0.12 -4.07 0.01 0.00 0.00 0.00 0.00 23.12 19.18 2jmr s ALA 43 CO 0.61 -2.86 -0.17 0.95 0.00 0.00 0.00 175.76 174.29 2jmr s THR 44 N 7.68 1.52 0.71 0.00 -4.23 -1.26 -2.41 115.64 117.65 2jmr s THR 44 Ca 0.85 -0.71 -0.11 0.00 -1.18 0.00 0.00 61.69 60.54 2jmr s THR 44 Cb -0.24 -1.34 0.02 0.00 1.34 0.00 0.00 72.50 72.27 2jmr s THR 44 CO 0.33 0.44 1.07 0.42 -0.54 0.00 0.00 174.62 176.33 2jmr s THR 45 N 0.50 3.87 -0.39 3.99 -4.23 -1.23 -4.96 115.64 113.19 2jmr s THR 45 Ca -0.16 0.61 -0.28 0.00 -1.18 0.00 0.00 61.69 60.68 2jmr s THR 45 Cb -0.16 -3.34 -0.03 0.00 1.34 0.00 0.00 72.50 70.31 2jmr s THR 45 CO 0.06 -0.79 1.97 -2.16 -0.54 0.00 0.00 174.62 173.15 2jmr s PRO 46 N -5.05 2.99 0.40 3.99 0.04 -1.26 -4.83 135.00 131.29 2jmr s PRO 46 Ca 0.59 1.37 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 2jmr s PRO 46 Cb -0.14 -4.32 -0.13 0.00 0.04 0.00 0.00 34.50 29.95 2jmr s PRO 46 CO 0.55 -2.27 0.60 1.55 0.04 0.00 0.00 177.00 177.47 2jmr n VAL 47 N 7.52 1.83 -5.06 -0.36 3.14 -1.26 -4.95 118.33 119.18 2jmr n VAL 47 Ca 0.25 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.81 2jmr n VAL 47 Cb 0.49 -0.58 -0.15 0.00 -1.06 0.00 0.00 33.84 32.54 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 -1.41 2.61 0.65 1.55 1.01 -1.09 -5.02 120.40 118.70 2jmr s VAL 48 Ca 0.63 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 2jmr s VAL 48 Cb -0.62 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 2jmr s VAL 48 CO 0.58 0.58 1.18 -2.16 0.00 0.00 0.00 175.10 175.28 2jmr s PRO 49 N -0.51 2.68 0.11 2.72 0.04 -1.26 -3.19 135.00 135.59 2jmr s PRO 49 Ca 0.07 1.69 -0.26 0.00 0.04 0.00 0.00 61.00 62.53 2jmr s PRO 49 Cb -0.11 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.60 2jmr s PRO 49 CO 0.01 -1.40 1.06 0.12 0.04 0.00 0.00 177.00 176.83 2jmr s PHE 50 N -1.91 -0.08 0.20 0.56 5.36 -0.28 -4.87 117.98 116.95 2jmr s PHE 50 Ca 0.74 -0.17 -0.22 0.00 -0.96 0.00 0.00 56.93 56.31 2jmr s PHE 50 Cb -0.27 0.62 0.05 0.00 -0.34 0.00 0.00 43.02 43.08 2jmr s PHE 50 CO 0.39 -0.67 0.65 -0.98 -1.46 0.00 0.00 175.22 173.14 2jmr s ARG 51 N -2.93 1.46 -0.16 10.12 1.04 -1.26 -0.78 118.95 126.44 2jmr s ARG 51 Ca 0.14 -0.66 -0.17 0.00 -1.04 0.00 0.00 55.73 54.00 2jmr s ARG 51 Cb 0.00 0.60 -0.04 0.00 -2.04 0.00 0.00 34.95 33.47 2jmr s ARG 51 CO 0.01 -0.65 0.45 0.42 -0.04 0.00 0.00 175.30 175.48 2jmr s ILE 52 N -3.81 5.19 -0.21 4.99 1.01 -1.25 -4.98 121.20 122.14 2jmr s ILE 52 Ca 0.05 0.85 -0.15 0.00 0.00 0.00 0.00 60.65 61.41 2jmr s ILE 52 Cb -0.03 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2jmr s ILE 52 CO -0.06 0.29 0.34 -0.22 0.00 0.00 0.00 174.94 175.29 2jmr s LEU 53 N 0.95 4.15 -0.39 2.97 1.98 -1.26 -3.59 118.68 123.48 2jmr s LEU 53 Ca 0.23 0.42 -0.03 0.00 -2.89 0.00 0.00 54.13 51.86 2jmr s LEU 53 Cb -0.15 -2.42 0.10 0.00 0.66 0.00 0.00 46.19 44.38 2jmr s LEU 53 CO 0.09 -0.04 0.18 -0.76 -1.89 0.00 0.00 176.35 173.92 2jmr s LEU 54 N 1.25 5.01 -0.04 -0.68 2.01 -0.60 -1.55 118.68 124.08 2jmr s LEU 54 Ca 0.16 -1.84 -0.18 0.00 0.01 0.00 0.00 54.13 52.28 2jmr s LEU 54 Cb -0.14 -1.83 0.04 0.00 0.01 0.00 0.00 46.19 44.26 2jmr s LEU 54 CO 0.07 -0.50 0.41 -0.94 1.01 0.00 0.00 176.35 176.40 2jmr s SER 55 N 1.77 -0.33 0.34 2.29 1.04 -0.90 -3.99 113.70 113.92 2jmr s SER 55 Ca 0.05 0.33 -0.26 0.00 0.48 0.00 0.00 55.95 56.55 2jmr s SER 55 Cb -0.22 0.44 -0.09 0.00 0.10 0.00 0.00 66.02 66.24 2jmr s SER 55 CO -0.03 -0.44 1.01 -2.16 0.98 0.00 0.00 173.24 172.60 2jmr s PRO 56 N -1.09 4.47 0.35 4.02 0.04 -1.26 -2.77 135.00 138.76 2jmr s PRO 56 Ca -0.11 1.49 0.04 0.00 0.04 0.00 0.00 61.00 62.46 2jmr s PRO 56 Cb -0.04 -2.82 -0.06 0.00 0.04 0.00 0.00 34.50 31.63 2jmr s PRO 56 CO 0.05 0.14 0.06 0.00 0.04 0.00 0.00 177.00 177.29 2jmr n GLY 58 N -0.76 3.60 0.10 0.00 0.00 -1.26 -4.54 105.19 102.33 2jmr n GLY 58 Ca -0.04 -2.35 0.13 0.00 0.00 0.00 0.00 46.02 43.76 2jmr n GLY 58 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jmr n ASN 59 N -1.30 0.57 -3.40 1.61 6.94 -1.25 -0.90 115.26 117.54 2jmr n ASN 59 Ca -0.18 -0.43 -0.27 0.00 -0.02 0.00 0.00 54.58 53.68 2jmr n ASN 59 Cb 0.57 0.03 -0.08 0.00 -2.36 0.00 0.00 39.78 37.94 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jmr n ALA 60 N -1.11 4.05 -2.27 -2.53 0.00 -1.14 -4.77 120.51 112.74 2jmr n ALA 60 Ca 0.10 -4.74 -0.15 0.00 0.00 0.00 0.00 53.44 48.66 2jmr n ALA 60 Cb 0.32 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 2jmr n ALA 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jmr s VAL 61 N -2.52 0.36 0.27 0.00 -7.23 -1.26 -3.94 120.40 106.07 2jmr s VAL 61 Ca 0.40 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 2jmr s VAL 61 Cb 0.16 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.51 2jmr s VAL 61 CO -0.02 -0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.23 2jmr n SER 62 N -0.39 -1.05 -3.46 4.85 3.41 -1.26 -4.85 113.62 110.87 2jmr n SER 62 Ca 0.01 0.48 -0.06 0.00 -0.26 0.00 0.00 58.87 59.04 2jmr n SER 62 Cb 0.66 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.75 2jmr n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jmr s ALA 63 N -1.93 -1.30 0.35 7.33 0.00 -1.26 -1.40 121.76 123.56 2jmr s ALA 63 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.68 2jmr s ALA 63 Cb 0.00 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 2jmr s ALA 63 CO 0.00 -1.03 0.13 0.14 0.00 0.00 0.00 175.76 175.00 2jmr s VAL 64 N -2.89 0.58 -0.24 0.00 -7.23 -1.26 -3.73 120.40 105.63 2jmr s VAL 64 Ca 0.15 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 2jmr s VAL 64 Cb -0.04 -2.48 0.06 0.00 0.56 0.00 0.00 36.38 34.48 2jmr s VAL 64 CO 0.07 0.00 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.25 2jmr s LYS 65 N -3.77 1.78 0.14 4.82 3.01 0.27 -4.58 119.74 121.41 2jmr s LYS 65 Ca 0.31 -1.07 -0.30 0.00 -1.01 0.00 0.00 55.97 53.89 2jmr s LYS 65 Cb 0.04 -2.66 -0.07 0.00 -1.01 0.00 0.00 37.83 34.14 2jmr s LYS 65 CO 0.16 -0.59 0.99 0.14 0.51 0.00 0.00 175.35 176.56 2jmr s VAL 66 N 1.32 4.30 -0.56 3.17 -7.23 -1.26 -1.59 120.40 118.55 2jmr s VAL 66 Ca -0.07 1.98 0.04 0.00 -1.81 0.00 0.00 61.98 62.12 2jmr s VAL 66 Cb -0.19 -4.26 0.15 0.00 0.56 0.00 0.00 36.38 32.64 2jmr s VAL 66 CO -0.06 0.34 0.35 -0.83 -0.31 0.00 0.00 175.10 174.59 2jmr s GLY 67 N -0.20 2.34 -0.43 2.32 0.00 -1.02 -4.72 107.32 105.61 2jmr s GLY 67 Ca 0.47 -3.26 -0.29 0.00 0.00 0.00 0.00 44.72 41.64 2jmr s GLY 67 CO 0.31 1.26 1.23 -1.36 0.00 0.00 0.00 173.10 174.54 2jmr s PHE 68 N -0.55 2.71 0.10 1.90 0.40 -1.26 -0.04 117.98 121.23 2jmr s PHE 68 Ca 0.22 0.75 0.07 0.00 -0.60 0.00 0.00 56.93 57.37 2jmr s PHE 68 Cb -0.15 -4.30 -0.03 0.00 0.51 0.00 0.00 43.02 39.05 2jmr s PHE 68 CO -0.08 -1.48 -0.18 0.95 0.70 0.00 0.00 175.22 175.13 2jmr s THR 69 N 4.68 1.50 0.00 0.64 -4.23 -1.01 -1.24 115.64 115.98 2jmr s THR 69 Ca 0.52 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 2jmr s THR 69 Cb -0.10 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.32 2jmr s THR 69 CO 0.30 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 2jmr n GLY 70 N 1.06 0.05 3.64 3.99 0.00 -1.26 -0.90 105.19 111.76 2jmr n GLY 70 Ca -0.19 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 2jmr n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmr s VAL 71 N -2.00 3.76 0.48 1.61 0.11 -1.25 -4.86 120.40 118.25 2jmr s VAL 71 Ca 0.00 0.87 -0.18 0.00 -2.93 0.00 0.00 61.98 59.74 2jmr s VAL 71 Cb 0.00 -3.73 -0.09 0.00 -1.53 0.00 0.00 36.38 31.02 2jmr s VAL 71 CO 0.00 -0.27 0.97 0.00 -3.33 0.00 0.00 175.10 172.48 2jmr s ALA 72 N 4.86 3.04 0.91 1.54 0.00 -1.26 -1.16 121.76 129.70 2jmr s ALA 72 Ca 0.69 0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 2jmr s ALA 72 Cb -0.25 -3.14 0.14 0.00 0.00 0.00 0.00 23.12 19.87 2jmr s ALA 72 CO 0.28 -0.10 1.10 0.34 0.00 0.00 0.00 175.76 177.37 2jmr s ASP 73 N -2.66 3.38 -0.03 0.00 2.15 -0.65 -4.39 116.67 114.47 2jmr s ASP 73 Ca 0.61 1.29 -0.23 0.00 0.43 0.00 0.00 52.55 54.65 2jmr s ASP 73 Cb -0.10 -1.96 -0.24 0.00 -0.30 0.00 0.00 42.92 40.32 2jmr s ASP 73 CO 0.23 -2.67 1.05 -1.28 -0.17 0.00 0.00 175.17 172.33 2jmr h SER 74 N -1.58 0.33 0.58 -0.34 0.87 -1.96 -3.21 113.55 108.25 2jmr h SER 74 Ca -0.51 -0.78 -0.28 0.00 -1.23 0.00 0.00 61.79 58.99 2jmr h SER 74 Cb 1.30 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2jmr h SER 74 CO 0.57 1.06 -1.35 0.45 -0.53 0.00 0.00 176.83 177.04 2jmr h HIS 75 N -0.37 0.44 -1.94 2.24 3.86 -1.96 -3.40 115.15 114.01 2jmr h HIS 75 Ca -0.05 -0.32 -0.42 0.00 -1.16 0.00 0.00 60.37 58.42 2jmr h HIS 75 Cb 1.12 -0.02 -0.31 0.00 1.06 0.00 0.00 27.41 29.26 2jmr h HIS 75 CO 0.17 1.29 -0.77 -0.80 0.86 0.00 0.00 177.93 178.69 2jmr s ASN 76 N -7.04 0.80 0.00 2.45 -0.87 -1.26 -5.01 114.94 104.02 2jmr s ASN 76 Ca -0.06 -2.23 0.04 0.00 -1.57 0.00 0.00 52.86 49.04 2jmr s ASN 76 Cb 0.07 0.41 0.16 0.00 -0.02 0.00 0.00 41.25 41.87 2jmr s ASN 76 CO 0.87 -0.18 1.06 0.00 -2.57 0.00 0.00 177.10 176.28 2jmr n ALA 77 N 3.41 1.22 -0.36 0.60 0.00 -1.21 -1.36 120.51 122.80 2jmr n ALA 77 Ca 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.60 2jmr n ALA 77 Cb 0.48 -1.06 0.10 0.00 0.00 0.00 0.00 19.45 18.97 2jmr n ALA 77 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2jmr h ASN 78 N 0.00 1.13 -2.71 0.00 4.21 -1.91 -3.40 115.58 112.91 2jmr h ASN 78 Ca 0.00 -0.06 -0.48 0.00 1.21 0.00 0.00 56.30 56.97 2jmr h ASN 78 Cb 0.05 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 36.97 2jmr h ASN 78 CO 0.00 0.85 -0.25 -0.76 -1.29 0.00 0.00 177.43 175.98 2jmr s LEU 79 N -10.05 4.10 0.51 1.61 2.01 -0.46 -3.00 118.68 113.39 2jmr s LEU 79 Ca -0.13 0.39 -0.22 0.00 0.01 0.00 0.00 54.13 54.17 2jmr s LEU 79 Cb 0.17 -3.22 -0.06 0.00 0.01 0.00 0.00 46.19 43.09 2jmr s LEU 79 CO 0.82 -0.22 1.28 -0.22 1.01 0.00 0.00 176.35 179.02 2jmr s LEU 80 N -4.10 3.92 0.00 1.79 0.20 -0.13 -1.64 118.68 118.72 2jmr s LEU 80 Ca 0.39 2.58 0.00 0.00 0.69 0.00 0.00 54.13 57.78 2jmr s LEU 80 Cb -0.10 -4.26 0.00 0.00 -0.43 0.00 0.00 46.19 41.41 2jmr s LEU 80 CO 0.34 -1.30 0.00 0.00 -0.29 0.00 0.00 176.35 175.10 2jmr n ALA 81 N -0.80 0.00 -3.88 5.97 0.00 -0.31 -1.37 120.51 120.12 2jmr n ALA 81 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 2jmr n ALA 81 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.93 2jmr n ALA 81 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jmr s LEU 82 N 0.00 -0.01 0.36 0.00 0.20 -1.26 -2.77 118.68 115.20 2jmr s LEU 82 Ca 0.00 -0.58 0.26 0.00 0.69 0.00 0.00 54.13 54.50 2jmr s LEU 82 Cb 0.00 1.96 1.25 0.00 -0.43 0.00 0.00 46.19 48.97 2jmr s LEU 82 CO 0.00 -0.87 1.79 1.05 -0.29 0.00 0.00 176.35 178.03 2jmr h GLU 83 N 2.00 0.00 -0.38 1.98 4.11 -1.13 -3.46 114.58 117.70 2jmr h GLU 83 Ca -0.27 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.00 2jmr h GLU 83 Cb 1.21 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 2jmr h GLU 83 CO 0.35 0.00 -0.15 -1.71 0.07 0.00 0.00 179.01 177.57 2jmr n ASN 84 N -2.43 -5.24 -4.85 3.06 2.85 -1.26 -4.99 115.26 102.39 2jmr n ASN 84 Ca 0.00 0.20 -0.31 0.00 -0.11 0.00 0.00 54.58 54.35 2jmr n ASN 84 Cb 0.15 -3.44 0.01 0.00 1.24 0.00 0.00 39.78 37.74 2jmr n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2jmr s THR 85 N -1.86 4.48 0.44 -0.44 2.01 -1.26 -4.93 115.64 114.07 2jmr s THR 85 Ca 0.00 0.89 0.10 0.00 0.31 0.00 0.00 61.69 62.98 2jmr s THR 85 Cb 0.00 -3.71 0.26 0.00 0.01 0.00 0.00 72.50 69.05 2jmr s THR 85 CO 0.00 -0.97 2.07 1.62 -0.69 0.00 0.00 174.62 176.65 2jmr h VAL 86 N -0.16 1.08 -0.36 3.82 3.04 -1.98 -1.58 116.25 120.12 2jmr h VAL 86 Ca -0.45 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 2jmr h VAL 86 Cb 1.20 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 2jmr h VAL 86 CO 0.60 0.09 0.00 -1.20 -1.01 0.00 0.00 177.57 176.05 2jmr n SER 87 N -4.47 1.98 -4.17 3.17 7.64 -1.26 -4.91 113.62 111.59 2jmr n SER 87 Ca 0.01 -1.98 -0.30 0.00 1.01 0.00 0.00 58.87 57.61 2jmr n SER 87 Cb 0.09 -0.24 0.20 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.52 1.33 0.36 -0.43 0.00 -0.60 -2.23 121.76 118.67 2jmr s ALA 88 Ca 0.26 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 51.05 2jmr s ALA 88 Cb 0.13 -2.90 -0.10 0.00 0.00 0.00 0.00 23.12 20.26 2jmr s ALA 88 CO 0.18 -2.94 1.31 0.00 0.00 0.00 0.00 175.76 174.30 2jmr s ALA 89 N -3.31 3.40 -0.03 0.00 0.00 -1.21 -4.19 121.76 116.41 2jmr s ALA 89 Ca 0.70 1.25 -0.00 0.00 0.00 0.00 0.00 51.96 53.91 2jmr s ALA 89 Cb -0.10 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.54 2jmr s ALA 89 CO 0.55 -0.73 -0.00 0.77 0.00 0.00 0.00 175.76 176.35 2jmr h SER 90 N 3.07 0.00 -0.91 0.00 0.02 -1.91 -3.42 113.55 110.40 2jmr h SER 90 Ca -0.49 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.84 2jmr h SER 90 Cb 1.23 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.45 2jmr h SER 90 CO 0.64 0.17 0.36 0.61 -1.14 0.00 0.00 176.83 177.48 2jmr n GLY 91 N 1.91 5.94 3.10 -3.77 0.00 -1.26 -4.89 105.19 106.22 2jmr n GLY 91 Ca -0.00 -2.33 -0.15 0.00 0.00 0.00 0.00 46.02 43.54 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 -3.73 2.27 0.22 0.99 1.43 -1.26 -1.62 118.68 116.98 2jmr s LEU 92 Ca 0.60 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 2jmr s LEU 92 Cb 0.48 -0.27 0.00 0.00 0.03 0.00 0.00 46.19 46.43 2jmr s LEU 92 CO 0.01 -0.18 0.46 -0.83 0.23 0.00 0.00 176.35 176.04 2jmr s GLY 93 N -1.70 0.35 -0.34 -3.19 0.00 -0.45 -4.82 107.32 97.17 2jmr s GLY 93 Ca -0.07 -0.70 -0.19 0.00 0.00 0.00 0.00 44.72 43.76 2jmr s GLY 93 CO 0.01 -0.56 0.57 -0.42 0.00 0.00 0.00 173.10 172.70 2jmr s ILE 94 N -3.97 4.96 -0.56 0.90 1.01 -0.47 -0.71 121.20 122.36 2jmr s ILE 94 Ca 0.18 0.51 -0.24 0.00 0.00 0.00 0.00 60.65 61.10 2jmr s ILE 94 Cb -0.00 -4.00 0.04 0.00 0.01 0.00 0.00 42.46 38.51 2jmr s ILE 94 CO 0.04 -0.23 0.94 -1.58 0.00 0.00 0.00 174.94 174.11 2jmr s GLN 95 N 2.53 3.30 -0.21 2.79 0.74 0.59 -0.95 119.66 128.45 2jmr s GLN 95 Ca 0.22 -0.33 -0.09 0.00 0.05 0.00 0.00 55.36 55.20 2jmr s GLN 95 Cb -0.15 -4.07 -0.05 0.00 1.10 0.00 0.00 33.01 29.84 2jmr s GLN 95 CO 0.13 -1.51 0.12 -0.51 -0.55 0.00 0.00 175.29 172.97 2jmr s LEU 96 N 3.93 4.07 0.26 3.68 1.43 -1.26 -0.80 118.68 130.00 2jmr s LEU 96 Ca 0.29 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 2jmr s LEU 96 Cb -0.13 -2.06 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 2jmr s LEU 96 CO 0.18 0.14 -0.00 -0.76 0.23 0.00 0.00 176.35 176.14 2jmr s LEU 97 N 0.59 2.25 0.00 1.79 2.01 -0.17 -3.99 118.68 121.16 2jmr s LEU 97 Ca 0.07 -1.25 -0.09 0.00 0.01 0.00 0.00 54.13 52.87 2jmr s LEU 97 Cb -0.12 -0.38 0.17 0.00 0.01 0.00 0.00 46.19 45.87 2jmr s LEU 97 CO 0.00 -0.50 1.04 -0.46 1.01 0.00 0.00 176.35 177.45 2jmr n ASN 98 N -0.51 0.54 0.27 2.29 6.94 -1.25 -1.37 115.26 122.16 2jmr n ASN 98 Ca -0.04 -1.66 0.17 0.00 -0.02 0.00 0.00 54.58 53.03 2jmr n ASN 98 Cb 0.64 -0.76 0.67 0.00 -2.36 0.00 0.00 39.78 37.97 2jmr n ASN 98 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2jmr h GLU 99 N 0.00 0.00 0.00 -3.83 -0.00 -1.88 0.12 114.58 108.99 2jmr h GLU 99 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 2jmr h GLU 99 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.80 2jmr h GLU 99 CO 0.28 0.00 0.00 1.04 -0.00 0.00 0.00 179.01 180.33 2jmr n GLN 100 N -3.02 0.97 -1.67 1.06 6.02 -1.26 -4.89 117.38 114.58 2jmr n GLN 100 Ca 0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.81 2jmr n GLN 100 Cb 0.30 -1.39 -0.07 0.00 1.02 0.00 0.00 30.24 30.10 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 -0.89 -1.47 -2.77 -1.09 6.02 0.40 -4.94 117.38 112.65 2jmr n GLN 101 Ca 0.18 1.08 -0.34 0.00 -0.01 0.00 0.00 57.00 57.91 2jmr n GLN 101 Cb 0.08 -5.47 -0.06 0.00 1.02 0.00 0.00 30.24 25.81 2jmr n GLN 101 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2jmr s ASN 102 N -2.51 6.92 -1.08 1.08 0.01 -1.26 -4.82 114.94 113.28 2jmr s ASN 102 Ca 0.00 1.75 -0.22 0.00 -0.71 0.00 0.00 52.86 53.68 2jmr s ASN 102 Cb 0.00 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.10 2jmr s ASN 102 CO 0.00 -0.37 1.77 -1.58 -1.51 0.00 0.00 177.10 175.41 2jmr s GLN 103 N -2.99 3.10 -0.15 -0.60 0.74 -1.26 -3.88 119.66 114.62 2jmr s GLN 103 Ca 0.61 -1.06 -0.30 0.00 0.05 0.00 0.00 55.36 54.65 2jmr s GLN 103 Cb -0.12 -5.28 -0.08 0.00 1.10 0.00 0.00 33.01 28.63 2jmr s GLN 103 CO 0.16 -2.99 2.11 -0.89 -0.55 0.00 0.00 175.29 173.13 2jmr n ILE 104 N 7.30 0.47 -2.63 -2.34 5.41 -1.26 -4.96 119.36 121.36 2jmr n ILE 104 Ca 0.41 -0.30 -0.41 0.00 1.00 0.00 0.00 62.75 63.45 2jmr n ILE 104 Cb 0.48 -2.29 -0.04 0.00 -0.71 0.00 0.00 39.64 37.07 2jmr n ILE 104 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2jmr s PRO 105 N 5.54 4.64 0.42 0.38 0.04 -1.26 -4.72 135.00 140.04 2jmr s PRO 105 Ca 0.98 1.58 -0.25 0.00 0.04 0.00 0.00 61.00 63.34 2jmr s PRO 105 Cb -0.48 -3.33 -0.08 0.00 0.04 0.00 0.00 34.50 30.65 2jmr s PRO 105 CO 0.41 0.13 1.26 -0.51 0.04 0.00 0.00 177.00 178.33 2jmr s LEU 106 N -0.10 4.15 -1.09 -3.56 1.02 -1.16 -4.14 118.68 113.80 2jmr s LEU 106 Ca 0.48 2.54 -0.14 0.00 0.02 0.00 0.00 54.13 57.03 2jmr s LEU 106 Cb -0.26 -4.01 -0.03 0.00 0.02 0.00 0.00 46.19 41.91 2jmr s LEU 106 CO 0.32 -0.88 0.85 0.59 0.02 0.00 0.00 176.35 177.24 2jmr n ASN 107 N -0.07 -5.94 -4.74 2.29 3.02 -0.37 -4.91 115.26 104.54 2jmr n ASN 107 Ca 0.05 -0.87 -0.25 0.00 -0.03 0.00 0.00 54.58 53.47 2jmr n ASN 107 Cb 0.45 -4.16 -0.07 0.00 -0.61 0.00 0.00 39.78 35.39 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 -3.42 3.60 0.84 5.41 0.00 -1.26 -5.12 121.76 121.82 2jmr s ALA 108 Ca 0.46 -2.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.26 2jmr s ALA 108 Cb -0.12 -0.34 0.10 0.00 0.00 0.00 0.00 23.12 22.76 2jmr s ALA 108 CO 0.81 -0.17 1.10 -1.25 0.00 0.00 0.00 175.76 176.25 2jmr s PRO 109 N -3.90 1.71 0.00 0.00 0.04 -1.26 -4.94 135.00 126.64 2jmr s PRO 109 Ca 0.39 0.69 0.18 0.00 0.04 0.00 0.00 61.00 62.30 2jmr s PRO 109 Cb 0.04 -1.87 0.82 0.00 0.04 0.00 0.00 34.50 33.53 2jmr s PRO 109 CO 0.21 -1.89 1.56 0.43 0.04 0.00 0.00 177.00 177.35 2jmr n SER 110 N -3.63 0.00 -0.00 6.66 7.64 -1.26 -2.53 113.62 120.49 2jmr n SER 110 Ca 0.07 0.31 0.13 0.00 1.01 0.00 0.00 58.87 60.39 2jmr n SER 110 Cb 0.56 -0.41 0.42 0.00 -1.01 0.00 0.00 64.21 63.77 2jmr n SER 110 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2jmr n SER 111 N -1.41 0.28 -0.23 6.43 3.41 -1.26 -4.14 113.62 116.71 2jmr n SER 111 Ca 0.06 0.07 0.15 0.00 -0.26 0.00 0.00 58.87 58.88 2jmr n SER 111 Cb 0.18 -0.09 0.69 0.00 -0.26 0.00 0.00 64.21 64.73 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 -1.48 2.67 -2.59 7.33 0.00 -1.05 -4.88 120.51 120.50 2jmr n ALA 112 Ca 0.06 -0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.03 2jmr n ALA 112 Cb 0.34 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.12 1.23 0.16 0.00 -0.00 -1.26 -4.93 118.68 111.76 2jmr s LEU 113 Ca 0.39 -1.52 0.01 0.00 -0.00 0.00 0.00 54.13 53.01 2jmr s LEU 113 Cb 0.21 1.00 -0.04 0.00 -0.00 0.00 0.00 46.19 47.36 2jmr s LEU 113 CO 0.38 -1.13 0.02 -0.94 -0.00 0.00 0.00 176.35 174.68 2jmr s SER 114 N -3.25 0.88 0.27 1.48 1.04 -1.26 -5.02 113.70 107.84 2jmr s SER 114 Ca 0.35 -1.18 0.05 0.00 0.48 0.00 0.00 55.95 55.65 2jmr s SER 114 Cb 0.02 0.18 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 2jmr s SER 114 CO 0.21 -0.63 0.20 1.87 0.98 0.00 0.00 173.24 175.86 2jmr n TRP 115 N -0.18 -0.45 -4.48 5.02 -0.00 -1.26 -4.90 117.44 111.19 2jmr n TRP 115 Ca -0.06 -2.17 -0.23 0.00 -0.00 0.00 0.00 57.50 55.04 2jmr n TRP 115 Cb 0.63 0.17 -0.11 0.00 -0.00 0.00 0.00 31.31 32.01 2jmr n TRP 115 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2jmr s THR 116 N -2.99 1.31 -0.53 5.87 -1.32 -1.26 -5.03 115.64 111.69 2jmr s THR 116 Ca 0.28 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.48 2jmr s THR 116 Cb 0.01 -2.81 -0.10 0.00 -1.51 0.00 0.00 72.50 68.09 2jmr s THR 116 CO 0.20 0.00 2.42 0.41 -2.21 0.00 0.00 174.62 175.44 2jmr n THR 117 N -0.75 0.00 -1.60 5.08 -1.04 -1.26 -4.50 114.28 110.22 2jmr n THR 117 Ca -0.03 -0.57 -0.44 0.00 -2.04 0.00 0.00 64.05 60.96 2jmr n THR 117 Cb 0.67 -2.27 -0.04 0.00 -1.82 0.00 0.00 70.33 66.87 2jmr n THR 117 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2jmr n LEU 118 N 13.92 3.34 -4.66 -4.42 4.77 -0.49 -4.94 117.00 124.52 2jmr n LEU 118 Ca 0.42 0.47 -0.44 0.00 -0.03 0.00 0.00 56.01 56.42 2jmr n LEU 118 Cb 0.41 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 39.99 2jmr n LEU 118 CO 0.75 -0.43 0.91 0.41 -1.33 0.00 0.00 177.39 177.70 2jmr n THR 119 N 6.91 1.35 -2.16 -5.08 -1.04 -1.26 -4.52 114.28 108.48 2jmr n THR 119 Ca 0.28 -0.34 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 2jmr n THR 119 Cb 0.39 -1.40 -0.02 0.00 -1.82 0.00 0.00 70.33 67.48 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 -0.94 3.83 -1.18 -2.82 0.04 -1.26 -3.80 135.00 128.86 2jmr s PRO 120 Ca 0.64 1.61 -0.07 0.00 0.04 0.00 0.00 61.00 63.22 2jmr s PRO 120 Cb -0.65 -4.01 -0.02 0.00 0.04 0.00 0.00 34.50 29.86 2jmr s PRO 120 CO 0.54 -1.25 0.81 0.41 0.04 0.00 0.00 177.00 177.56 2jmr n GLY 121 N 4.58 -0.74 3.43 0.56 0.00 -0.08 -4.84 105.19 108.11 2jmr n GLY 121 Ca 0.18 0.34 -0.25 0.00 0.00 0.00 0.00 46.02 46.29 2jmr n GLY 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jmr n LYS 122 N -3.94 0.55 0.00 1.61 3.00 -1.25 -4.96 118.16 113.17 2jmr n LYS 122 Ca -0.18 -3.54 0.11 0.00 -0.00 0.00 0.00 58.31 54.71 2jmr n LYS 122 Cb 0.64 2.04 0.60 0.00 0.00 0.00 0.00 35.03 38.31 2jmr n LYS 122 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2jmr n PRO 123 N -0.91 0.44 -3.79 1.64 -0.04 -1.26 -4.65 135.00 126.42 2jmr n PRO 123 Ca -0.04 0.05 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 2jmr n PRO 123 Cb 0.63 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.21 -3.14 -4.72 3.54 5.03 -1.26 -1.55 115.26 111.96 2jmr n ASN 124 Ca 0.13 -0.67 -0.42 0.00 0.87 0.00 0.00 54.58 54.48 2jmr n ASN 124 Cb 0.15 -2.61 -0.02 0.00 -1.02 0.00 0.00 39.78 36.28 2jmr n ASN 124 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 2jmr n THR 125 N -4.02 0.59 -3.92 3.41 -1.04 -1.26 -4.50 114.28 103.54 2jmr n THR 125 Ca 0.04 -0.15 -0.33 0.00 -2.04 0.00 0.00 64.05 61.57 2jmr n THR 125 Cb 0.51 -1.89 -0.14 0.00 -1.82 0.00 0.00 70.33 66.99 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 0.24 4.96 0.16 -4.42 2.01 -1.24 -5.05 118.68 115.35 2jmr s LEU 126 Ca 0.69 -2.13 -0.32 0.00 0.01 0.00 0.00 54.13 52.38 2jmr s LEU 126 Cb -0.53 -1.71 -0.10 0.00 0.01 0.00 0.00 46.19 43.86 2jmr s LEU 126 CO 0.42 -0.44 1.58 0.54 1.01 0.00 0.00 176.35 179.46 2jmr s ASN 127 N 1.25 6.57 0.32 2.29 2.20 -1.26 -3.75 114.94 122.55 2jmr s ASN 127 Ca 0.10 2.62 -0.02 0.00 -0.94 0.00 0.00 52.86 54.63 2jmr s ASN 127 Cb -0.21 -2.59 -0.01 0.00 -2.00 0.00 0.00 41.25 36.44 2jmr s ASN 127 CO -0.06 -0.84 0.42 -0.36 -2.94 0.00 0.00 177.10 173.32 2jmr s PHE 128 N 1.23 1.11 0.16 1.54 0.08 0.04 -3.47 117.98 118.67 2jmr s PHE 128 Ca 0.71 -1.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.44 2jmr s PHE 128 Cb -0.44 -0.19 -0.04 0.00 -0.57 0.00 0.00 43.02 41.78 2jmr s PHE 128 CO 0.31 -1.04 0.09 0.71 -0.10 0.00 0.00 175.22 175.20 2jmr s TYR 129 N -3.30 0.98 0.08 0.36 2.02 -0.47 -1.13 117.35 115.89 2jmr s TYR 129 Ca 0.32 -1.29 -0.04 0.00 -0.37 0.00 0.00 57.07 55.69 2jmr s TYR 129 Cb 0.01 -0.50 -0.02 0.00 -0.40 0.00 0.00 41.96 41.04 2jmr s TYR 129 CO 0.20 -0.58 0.08 0.00 -1.57 0.00 0.00 175.55 173.68 2jmr s ALA 130 N -4.10 0.27 0.00 3.71 0.00 -1.19 -1.00 121.76 119.45 2jmr s ALA 130 Ca 0.31 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2jmr s ALA 130 Cb 0.07 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.67 2jmr s ALA 130 CO 0.06 -0.46 0.00 -2.13 0.00 0.00 0.00 175.76 173.23 2jmr n ARG 131 N -0.00 0.00 -3.99 0.00 3.00 0.02 -2.66 116.66 113.02 2jmr n ARG 131 Ca -0.13 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.43 2jmr n ARG 131 Cb 0.62 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 33.03 2jmr n ARG 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jmr s LEU 132 N 0.00 4.08 -0.11 6.15 1.02 -1.26 -0.30 118.68 128.26 2jmr s LEU 132 Ca 0.00 0.10 -0.02 0.00 0.02 0.00 0.00 54.13 54.23 2jmr s LEU 132 Cb 0.00 -2.71 -0.03 0.00 0.02 0.00 0.00 46.19 43.47 2jmr s LEU 132 CO 0.00 0.14 -0.02 -0.32 0.02 0.00 0.00 176.35 176.17 2jmr s MET 133 N -2.65 3.24 -0.44 1.70 -2.45 0.11 -3.52 119.30 115.30 2jmr s MET 133 Ca 0.32 -0.47 -0.28 0.00 -1.25 0.00 0.00 55.69 54.02 2jmr s MET 133 Cb -0.12 -2.82 0.03 0.00 1.25 0.00 0.00 34.83 33.16 2jmr s MET 133 CO 0.25 0.51 1.06 0.00 1.05 0.00 0.00 175.02 177.89 2jmr s ALA 134 N -0.36 3.25 -0.25 4.11 0.00 -1.01 -1.34 121.76 126.15 2jmr s ALA 134 Ca 0.06 -0.49 0.18 0.00 0.00 0.00 0.00 51.96 51.71 2jmr s ALA 134 Cb -0.12 -3.77 0.15 0.00 0.00 0.00 0.00 23.12 19.38 2jmr s ALA 134 CO 0.02 -2.04 1.48 1.79 0.00 0.00 0.00 175.76 177.01 2jmr h THR 135 N 6.09 0.56 -3.16 0.00 1.35 -1.61 -3.38 112.91 112.75 2jmr h THR 135 Ca -0.23 -1.80 -0.17 0.00 -0.55 0.00 0.00 66.41 63.67 2jmr h THR 135 Cb 1.07 2.26 -0.04 0.00 -1.73 0.00 0.00 68.15 69.71 2jmr h THR 135 CO 1.08 0.32 -0.11 0.00 -0.25 0.00 0.00 175.52 176.55 2jmr n GLN 136 N -3.17 0.35 -2.63 4.72 1.13 -0.87 -4.85 117.38 112.06 2jmr n GLN 136 Ca 0.02 -1.55 -0.26 0.00 -1.94 0.00 0.00 57.00 53.27 2jmr n GLN 136 Cb 0.67 1.45 -0.01 0.00 0.11 0.00 0.00 30.24 32.46 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 -0.32 2.51 0.02 5.09 0.31 -1.26 -4.58 118.33 120.10 2jmr n VAL 137 Ca 0.01 -5.07 -0.01 0.00 -0.01 0.00 0.00 64.34 59.26 2jmr n VAL 137 Cb 0.32 -1.24 -0.09 0.00 -0.91 0.00 0.00 33.84 31.92 2jmr n VAL 137 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jmr n PRO 138 N -0.39 0.62 -2.93 5.55 -0.04 -1.26 -4.97 135.00 131.58 2jmr n PRO 138 Ca 0.36 0.23 -0.17 0.00 -0.04 0.00 0.00 63.50 63.88 2jmr n PRO 138 Cb 0.59 -1.81 -0.01 0.00 -0.04 0.00 0.00 33.50 32.23 2jmr n PRO 138 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2jmr n VAL 139 N -2.91 -0.70 -2.56 0.52 0.24 -1.26 -4.94 118.33 106.72 2jmr n VAL 139 Ca -0.11 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.76 2jmr n VAL 139 Cb 0.87 -1.55 -0.02 0.00 -1.47 0.00 0.00 33.84 31.67 2jmr n VAL 139 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jmr s THR 140 N -2.70 4.30 0.99 3.34 2.01 -1.26 -4.94 115.64 117.37 2jmr s THR 140 Ca 0.21 1.44 -0.12 0.00 0.31 0.00 0.00 61.69 63.52 2jmr s THR 140 Cb -0.11 -4.39 0.18 0.00 0.01 0.00 0.00 72.50 68.19 2jmr s THR 140 CO 0.25 -0.64 1.08 0.00 -0.69 0.00 0.00 174.62 174.63 2jmr s ALA 141 N 4.16 0.90 0.00 7.40 0.00 -1.26 -4.06 121.76 128.90 2jmr s ALA 141 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2jmr s ALA 141 Cb -0.12 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2jmr s ALA 141 CO 0.23 -2.89 0.00 0.41 0.00 0.00 0.00 175.76 173.50 2jmr n GLY 142 N -0.35 -1.70 3.90 0.00 0.00 -1.25 -4.66 105.19 101.13 2jmr n GLY 142 Ca 0.06 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.50 3.47 -0.21 1.61 0.00 -0.95 -0.16 115.29 116.55 2jmr s HIS 143 Ca 0.00 0.59 -0.17 0.00 -3.00 0.00 0.00 55.06 52.48 2jmr s HIS 143 Cb 0.00 -2.05 -0.03 0.00 -4.00 0.00 0.00 32.58 26.50 2jmr s HIS 143 CO 0.00 0.28 0.47 0.42 -1.00 0.00 0.00 174.74 174.92 2jmr s ILE 144 N -1.91 5.13 -0.24 -5.38 1.09 -0.36 -3.35 121.20 116.18 2jmr s ILE 144 Ca 0.43 0.85 -0.10 0.00 -1.10 0.00 0.00 60.65 60.72 2jmr s ILE 144 Cb -0.11 -3.80 0.10 0.00 -1.06 0.00 0.00 42.46 37.59 2jmr s ILE 144 CO 0.27 0.19 0.54 0.20 -0.10 0.00 0.00 174.94 176.04 2jmr s ASN 145 N 1.20 -0.72 0.33 3.58 0.01 -1.25 -3.52 114.94 114.57 2jmr s ASN 145 Ca 0.22 1.27 -0.03 0.00 -0.71 0.00 0.00 52.86 53.60 2jmr s ASN 145 Cb -0.15 1.59 -0.00 0.00 0.41 0.00 0.00 41.25 43.10 2jmr s ASN 145 CO 0.09 -0.22 0.46 0.00 -1.51 0.00 0.00 177.10 175.91 2jmr s ALA 146 N 2.35 0.74 -0.14 0.60 0.00 -1.24 -0.47 121.76 123.60 2jmr s ALA 146 Ca -0.06 -1.49 -0.11 0.00 0.00 0.00 0.00 51.96 50.29 2jmr s ALA 146 Cb -0.10 1.17 0.04 0.00 0.00 0.00 0.00 23.12 24.23 2jmr s ALA 146 CO -0.16 -0.78 0.37 -0.08 0.00 0.00 0.00 175.76 175.10 2jmr s THR 147 N -3.17 -0.01 0.38 0.00 -1.32 -1.26 -4.05 115.64 106.21 2jmr s THR 147 Ca 0.30 0.03 -0.09 0.00 -1.21 0.00 0.00 61.69 60.72 2jmr s THR 147 Cb -0.00 -0.53 0.04 0.00 -1.51 0.00 0.00 72.50 70.50 2jmr s THR 147 CO 0.19 0.01 0.67 0.00 -2.21 0.00 0.00 174.62 173.28 2jmr s ALA 148 N 0.54 -0.04 -0.21 11.08 0.00 -0.78 -3.88 121.76 128.47 2jmr s ALA 148 Ca -0.03 -1.12 -0.04 0.00 0.00 0.00 0.00 51.96 50.77 2jmr s ALA 148 Cb -0.04 0.87 0.10 0.00 0.00 0.00 0.00 23.12 24.04 2jmr s ALA 148 CO -0.03 -0.90 0.25 0.95 0.00 0.00 0.00 175.76 176.02 2jmr s THR 149 N -2.47 -0.37 -1.46 0.00 -4.23 -0.07 -1.17 115.64 105.88 2jmr s THR 149 Ca 0.22 -0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.48 2jmr s THR 149 Cb -0.03 -0.71 0.04 0.00 1.34 0.00 0.00 72.50 73.14 2jmr s THR 149 CO 0.16 -0.21 2.31 2.22 -0.54 0.00 0.00 174.62 178.56 2jmr n PHE 150 N 5.32 3.24 -2.51 3.99 -1.74 -1.25 -2.41 117.46 122.10 2jmr n PHE 150 Ca -0.05 -2.97 -0.40 0.00 -0.56 0.00 0.00 57.45 53.48 2jmr n PHE 150 Cb 0.49 -2.44 -0.03 0.00 1.52 0.00 0.00 39.48 39.03 2jmr n PHE 150 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2jmr s THR 151 N 2.48 3.89 0.29 1.97 2.01 0.94 -4.70 115.64 122.51 2jmr s THR 151 Ca 0.50 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.72 2jmr s THR 151 Cb 0.14 -4.97 -0.02 0.00 0.01 0.00 0.00 72.50 67.66 2jmr s THR 151 CO -0.07 -1.85 0.38 -1.48 -0.69 0.00 0.00 174.62 170.91 2jmr s LEU 152 N 5.45 4.04 0.23 4.42 -0.00 -1.26 -2.42 118.68 129.14 2jmr s LEU 152 Ca 0.49 -0.13 -0.02 0.00 -0.00 0.00 0.00 54.13 54.47 2jmr s LEU 152 Cb -0.00 -2.69 -0.03 0.00 -0.00 0.00 0.00 46.19 43.47 2jmr s LEU 152 CO -0.07 -0.25 0.22 -1.61 -0.00 0.00 0.00 176.35 174.64 2jmr s GLU 153 N -4.05 1.36 0.28 1.48 0.41 -0.62 -4.81 118.70 112.75 2jmr s GLU 153 Ca 0.39 -1.62 0.11 0.00 -0.41 0.00 0.00 54.97 53.44 2jmr s GLU 153 Cb -0.09 0.32 -0.05 0.00 -1.78 0.00 0.00 34.13 32.53 2jmr s GLU 153 CO 0.29 -0.48 -0.12 0.71 -0.49 0.00 0.00 175.26 175.17 2jmr s TYR 154 N -4.00 2.45 -0.57 1.61 2.02 -1.26 -0.57 117.35 117.03 2jmr s TYR 154 Ca 0.36 -0.30 -0.28 0.00 -0.37 0.00 0.00 57.07 56.48 2jmr s TYR 154 Cb 0.05 -1.09 0.01 0.00 -0.40 0.00 0.00 41.96 40.53 2jmr s TYR 154 CO 0.14 0.67 1.42 -1.14 -1.57 0.00 0.00 175.55 175.06 2jmr s GLN 155 N -3.58 3.29 0.23 -0.62 0.74 -1.24 -4.86 119.66 113.62 2jmr s GLN 155 Ca 0.31 0.43 0.01 0.00 0.05 0.00 0.00 55.36 56.15 2jmr s GLN 155 Cb -0.05 -4.13 -0.05 0.00 1.10 0.00 0.00 33.01 29.88 2jmr s GLN 155 CO 0.17 -1.96 0.08 0.16 -0.55 0.00 0.00 175.29 173.19 2jmr s ASP 156 N 4.45 1.00 0.00 6.67 1.47 -1.26 -4.95 116.67 124.05 2jmr s ASP 156 Ca 0.52 -1.34 0.14 0.00 1.18 0.00 0.00 52.55 53.04 2jmr s ASP 156 Cb -0.11 0.19 0.17 0.00 -0.34 0.00 0.00 42.92 42.83 2jmr s ASP 156 CO 0.24 -0.72 1.02 -3.20 0.68 0.00 0.00 175.17 173.19 2jmr n ASN 157 N -0.38 2.36 -3.47 2.11 2.85 -1.26 -4.75 115.26 112.72 2jmr n ASN 157 Ca -0.01 -1.67 -0.20 0.00 -0.11 0.00 0.00 54.58 52.59 2jmr n ASN 157 Cb 0.66 -0.06 -0.12 0.00 1.24 0.00 0.00 39.78 41.49 2jmr n ASN 157 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2jmr s HIS 158 N -1.13 -0.21 -0.62 1.20 3.76 -1.26 -5.10 115.29 111.93 2jmr s HIS 158 Ca 0.19 -0.14 -0.27 0.00 -0.15 0.00 0.00 55.06 54.69 2jmr s HIS 158 Cb 0.12 -0.51 -0.01 0.00 1.11 0.00 0.00 32.58 33.29 2jmr s HIS 158 CO 0.18 -0.75 1.75 -1.01 -0.85 0.00 0.00 174.74 174.06 2jmr s HIS 159 N 2.29 1.78 0.43 1.40 3.76 -1.26 -4.84 115.29 118.85 2jmr s HIS 159 Ca 0.08 0.64 0.11 0.00 -0.15 0.00 0.00 55.06 55.74 2jmr s HIS 159 Cb -0.15 -4.18 0.94 0.00 1.11 0.00 0.00 32.58 30.30 2jmr s HIS 159 CO -0.24 -2.28 2.01 0.45 -0.85 0.00 0.00 174.74 173.83 2jmr h HIS 160 N 13.99 0.21 0.00 1.40 3.86 -1.99 -3.46 115.15 129.17 2jmr h HIS 160 Ca -0.27 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2jmr h HIS 160 Cb 1.14 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.55 2jmr h HIS 160 CO 1.05 0.25 0.00 0.72 0.86 0.00 0.00 177.93 180.81 2jmr n HIS 161 N -4.39 0.00 0.08 2.45 8.25 -1.26 -4.82 115.22 115.54 2jmr n HIS 161 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.47 2jmr n HIS 161 Cb 0.18 -1.26 0.10 0.00 1.12 0.00 0.00 29.99 30.13 2jmr n HIS 161 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jmr n HIS 162 N -1.80 0.08 -4.06 4.41 1.44 -1.26 -4.59 115.22 109.44 2jmr n HIS 162 Ca 0.00 0.04 -0.32 0.00 -2.01 0.00 0.00 57.72 55.43 2jmr n HIS 162 Cb 0.00 -0.56 -0.15 0.00 0.12 0.00 0.00 29.99 29.40 2jmr n HIS 162 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2jmr s HIS 163 N -3.05 3.10 0.18 -1.40 4.02 -1.26 -5.09 115.29 111.79 2jmr s HIS 163 Ca 0.01 -2.17 -0.30 0.00 1.02 0.00 0.00 55.06 53.62 2jmr s HIS 163 Cb 0.02 -1.89 -0.08 0.00 -1.02 0.00 0.00 32.58 29.61 2jmr s HIS 163 CO 0.06 -0.86 1.17 0.21 1.02 0.00 0.00 174.74 176.34 2jmr s LYS 164 N 1.16 4.52 0.00 1.40 2.20 -1.26 -4.87 119.74 122.89 2jmr s LYS 164 Ca -0.07 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.38 2jmr s LYS 164 Cb -0.19 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 2jmr s LYS 164 CO -0.06 -0.04 0.09 1.04 -0.36 0.00 0.00 175.35 176.02 2jmr n GLN 165 N 2.44 0.93 0.00 4.03 1.13 -1.26 -4.85 117.38 119.80 2jmr n GLN 165 Ca 0.04 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 2jmr n GLN 165 Cb 0.45 -0.43 0.00 0.00 0.11 0.00 0.00 30.24 30.37 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 -0.16 2.38 -0.63 -1.58 0.00 -1.26 -3.04 120.51 116.23 2jmr n ALA 166 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jmr n ALA 166 Cb 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2jmr n ALA 166 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jmr n ASP 167 N 0.16 0.50 -4.04 0.00 2.03 -1.26 -4.99 116.55 108.95 2jmr n ASP 167 Ca 0.00 -1.13 -0.38 0.00 0.52 0.00 0.00 54.79 53.80 2jmr n ASP 167 Cb 0.28 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.63 2jmr n ASP 167 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2jmr n SER 168 N -0.07 2.98 -4.54 1.67 3.41 -1.17 -4.77 113.62 111.14 2jmr n SER 168 Ca 0.00 -2.72 -0.35 0.00 -0.26 0.00 0.00 58.87 55.55 2jmr n SER 168 Cb 0.25 -1.42 -0.06 0.00 -0.26 0.00 0.00 64.21 62.72 2jmr n SER 168 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2jmr n THR 169 N 6.60 -0.06 -2.88 6.66 -1.04 -1.26 -3.78 114.28 118.52 2jmr n THR 169 Ca 0.48 -0.64 -0.41 0.00 -2.04 0.00 0.00 64.05 61.44 2jmr n THR 169 Cb 0.43 -2.29 -0.04 0.00 -1.82 0.00 0.00 70.33 66.61 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 11.69 4.87 -0.06 12.58 -1.09 -0.32 -3.97 121.20 144.90 2jmr s ILE 170 Ca 1.05 1.65 0.01 0.00 -2.23 0.00 0.00 60.65 61.13 2jmr s ILE 170 Cb -0.37 -4.14 0.02 0.00 -1.58 0.00 0.00 42.46 36.38 2jmr s ILE 170 CO 0.29 0.01 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.05 2jmr s THR 171 N 2.26 0.79 -0.09 2.92 2.01 -1.26 -1.86 115.64 120.41 2jmr s THR 171 Ca 0.38 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.15 2jmr s THR 171 Cb -0.16 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 2jmr s THR 171 CO 0.12 0.29 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.55 2jmr s ILE 172 N 0.96 2.93 0.49 1.82 1.01 -1.26 -2.10 121.20 125.06 2jmr s ILE 172 Ca -0.10 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.84 2jmr s ILE 172 Cb -0.15 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.16 2jmr s ILE 172 CO 0.00 0.55 0.19 0.54 0.00 0.00 0.00 174.94 176.22 2jmr n ARG 173 N 3.04 0.80 0.00 2.79 5.12 -0.87 -3.65 116.66 123.88 2jmr n ARG 173 Ca -0.18 -3.30 0.00 0.00 -1.93 0.00 0.00 57.85 52.44 2jmr n ARG 173 Cb 0.52 0.63 0.00 0.00 -1.16 0.00 0.00 32.46 32.46 2jmr n ARG 173 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jmr n GLY 174 N -0.86 1.00 2.99 -0.13 0.00 -1.23 -3.83 105.19 103.14 2jmr n GLY 174 Ca -0.11 -1.94 -0.19 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.02 0.79 -0.25 1.61 5.04 -1.26 -1.23 117.35 121.03 2jmr s TYR 175 Ca 0.00 -0.17 -0.27 0.00 -2.44 0.00 0.00 57.07 54.19 2jmr s TYR 175 Cb 0.00 -0.55 0.01 0.00 0.35 0.00 0.00 41.96 41.77 2jmr s TYR 175 CO 0.00 -0.06 0.97 0.08 -1.34 0.00 0.00 175.55 175.21 2jmr s VAL 176 N 0.04 4.71 -0.14 3.14 1.01 0.77 -1.50 120.40 128.43 2jmr s VAL 176 Ca -0.00 1.82 -0.29 0.00 0.00 0.00 0.00 61.98 63.50 2jmr s VAL 176 Cb -0.06 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 2jmr s VAL 176 CO -0.00 -0.19 1.03 -0.13 0.00 0.00 0.00 175.10 175.81 2jmr s ARG 177 N 3.14 4.37 0.00 2.72 1.81 0.87 -3.91 118.95 127.95 2jmr s ARG 177 Ca 0.41 1.41 0.00 0.00 -1.72 0.00 0.00 55.73 55.83 2jmr s ARG 177 Cb -0.15 -3.57 0.00 0.00 -0.45 0.00 0.00 34.95 30.78 2jmr s ARG 177 CO 0.08 -0.41 0.33 -3.47 -0.68 0.00 0.00 175.30 171.14 2jmr n ASP 178 N 5.39 0.14 0.00 0.23 2.03 -1.26 0.12 116.55 123.20 2jmr n ASP 178 Ca 0.10 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.61 2jmr n ASP 178 Cb 0.48 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 2jmr n ASP 178 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08