#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmm h PRO 2 N 0.00 0.36 -4.74 3.17 0.13 -2.03 -3.45 132.00 125.44 2jmm h PRO 2 Ca 0.00 -0.17 -0.39 0.00 -0.87 0.00 0.00 66.00 64.57 2jmm h PRO 2 Cb 0.00 -0.01 -0.29 0.00 0.13 0.00 0.00 31.00 30.84 2jmm h PRO 2 CO 0.00 0.69 -0.78 0.15 -0.23 0.00 0.00 178.00 177.83 2jmm s LYS 3 N -4.51 0.74 -0.30 0.86 -0.14 -1.26 -5.12 119.74 110.02 2jmm s LYS 3 Ca -0.14 -0.33 -0.09 0.00 -1.36 0.00 0.00 55.97 54.04 2jmm s LYS 3 Cb 0.06 -0.71 0.19 0.00 -1.68 0.00 0.00 37.83 35.68 2jmm s LYS 3 CO 0.75 0.20 0.99 0.34 -0.76 0.00 0.00 175.35 176.86 2jmm s ASP 4 N -0.23 -0.56 -1.25 2.83 -1.08 -1.24 -3.97 116.67 111.17 2jmm s ASP 4 Ca 0.03 0.07 -0.00 0.00 -0.52 0.00 0.00 52.55 52.13 2jmm s ASP 4 Cb -0.04 1.35 0.00 0.00 -1.46 0.00 0.00 42.92 42.78 2jmm s ASP 4 CO -0.00 -0.10 0.88 0.59 0.52 0.00 0.00 175.17 177.05 2jmm n ASN 5 N 5.14 -1.75 -4.66 -0.34 3.02 -0.09 -4.94 115.26 111.64 2jmm n ASN 5 Ca 0.09 -0.70 -0.37 0.00 -0.03 0.00 0.00 54.58 53.57 2jmm n ASN 5 Cb 0.57 -4.69 -0.09 0.00 -0.61 0.00 0.00 39.78 34.97 2jmm n ASN 5 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jmm s THR 6 N -3.49 5.30 -0.17 3.41 2.01 0.06 -4.84 115.64 117.92 2jmm s THR 6 Ca 0.01 0.36 -0.12 0.00 0.31 0.00 0.00 61.69 62.26 2jmm s THR 6 Cb -0.01 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 2jmm s THR 6 CO 0.76 0.30 0.22 0.26 -0.69 0.00 0.00 174.62 175.48 2jmm s TRP 7 N 1.22 3.45 -0.57 4.92 0.52 -1.26 -0.53 118.94 126.68 2jmm s TRP 7 Ca 0.11 0.49 0.04 0.00 0.02 0.00 0.00 56.10 56.76 2jmm s TRP 7 Cb -0.14 -2.25 0.15 0.00 -1.15 0.00 0.00 33.47 30.07 2jmm s TRP 7 CO 0.06 0.28 0.34 0.71 0.02 0.00 0.00 176.95 178.36 2jmm s TYR 8 N 0.37 3.03 -0.21 -1.98 2.02 0.13 -2.02 117.35 118.69 2jmm s TYR 8 Ca 0.13 -3.08 -0.05 0.00 -0.37 0.00 0.00 57.07 53.70 2jmm s TYR 8 Cb -0.12 -2.54 -0.02 0.00 -0.40 0.00 0.00 41.96 38.87 2jmm s TYR 8 CO 0.01 -0.68 -0.00 0.95 -1.57 0.00 0.00 175.55 174.26 2jmm s THR 9 N -0.59 3.90 0.00 -0.71 -4.23 0.72 -0.27 115.64 114.46 2jmm s THR 9 Ca 0.21 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 2jmm s THR 9 Cb -0.17 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.90 2jmm s THR 9 CO -0.07 0.42 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 2jmm n GLY 10 N 4.38 2.67 3.03 3.99 0.00 0.64 -1.24 105.19 118.65 2jmm n GLY 10 Ca -0.17 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 2jmm n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmm s ALA 11 N -1.00 0.47 -0.01 4.61 0.00 -0.19 -0.13 121.76 125.51 2jmm s ALA 11 Ca 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 51.37 2jmm s ALA 11 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2jmm s ALA 11 CO 0.00 -0.02 -0.12 0.15 0.00 0.00 0.00 175.76 175.77 2jmm s LYS 12 N -1.28 0.96 -0.10 0.00 -0.14 0.57 -1.35 119.74 118.39 2jmm s LYS 12 Ca -0.09 -0.43 0.01 0.00 -1.36 0.00 0.00 55.97 54.10 2jmm s LYS 12 Cb -0.08 -0.93 -0.02 0.00 -1.68 0.00 0.00 37.83 35.12 2jmm s LYS 12 CO 0.00 0.25 -0.14 -1.17 -0.76 0.00 0.00 175.35 173.54 2jmm s LEU 13 N -0.30 2.72 -0.34 3.17 2.96 0.12 -0.64 118.68 126.37 2jmm s LEU 13 Ca 0.04 -0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 53.58 2jmm s LEU 13 Cb -0.05 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.07 2jmm s LEU 13 CO -0.00 0.23 0.16 -0.83 -1.32 0.00 0.00 176.35 174.58 2jmm s GLY 14 N -0.04 1.88 0.06 7.98 0.00 -1.26 -0.29 107.32 115.65 2jmm s GLY 14 Ca -0.03 -1.58 0.09 0.00 0.00 0.00 0.00 44.72 43.19 2jmm s GLY 14 CO 0.04 0.76 -0.24 0.86 0.00 0.00 0.00 173.10 174.52 2jmm s TRP 15 N 1.54 2.12 0.04 1.90 -0.11 0.49 -0.94 118.94 123.98 2jmm s TRP 15 Ca 0.02 -0.40 0.05 0.00 1.22 0.00 0.00 56.10 56.99 2jmm s TRP 15 Cb -0.18 -1.25 -0.02 0.00 -1.50 0.00 0.00 33.47 30.52 2jmm s TRP 15 CO 0.05 0.14 -0.14 -1.54 -4.62 0.00 0.00 176.95 170.85 2jmm s SER 16 N -1.35 1.62 -1.31 5.86 1.04 -1.26 -0.27 113.70 118.02 2jmm s SER 16 Ca 0.10 -0.44 -0.18 0.00 0.48 0.00 0.00 55.95 55.91 2jmm s SER 16 Cb -0.10 -0.10 0.07 0.00 0.10 0.00 0.00 66.02 65.99 2jmm s SER 16 CO 0.03 0.03 1.77 1.67 0.98 0.00 0.00 173.24 177.72 2jmm n GLN 17 N 1.95 3.17 0.00 4.02 7.27 -1.26 -4.33 117.38 128.19 2jmm n GLN 17 Ca -0.18 -3.23 0.00 0.00 0.07 0.00 0.00 57.00 53.66 2jmm n GLN 17 Cb 0.55 -3.49 0.00 0.00 2.41 0.00 0.00 30.24 29.71 2jmm n GLN 17 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 2jmm n TYR 18 N 8.28 0.00 -5.00 3.69 9.36 -1.26 -5.03 117.16 127.19 2jmm n TYR 18 Ca 0.49 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 61.39 2jmm n TYR 18 Cb 0.46 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 39.02 2jmm n TYR 18 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2jmm s SER 19 N 1.36 3.69 0.59 2.98 0.15 -1.26 -5.01 113.70 116.19 2jmm s SER 19 Ca 0.00 -0.33 0.36 0.00 0.70 0.00 0.00 55.95 56.69 2jmm s SER 19 Cb 0.00 -0.95 1.75 0.00 -1.71 0.00 0.00 66.02 65.12 2jmm s SER 19 CO 0.00 0.28 2.14 0.08 1.20 0.00 0.00 173.24 176.94 2jmm h ARG 20 N 5.81 0.00 -4.14 5.44 0.11 -2.01 -3.38 114.38 116.21 2jmm h ARG 20 Ca -0.38 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 59.03 2jmm h ARG 20 Cb 1.17 0.00 -0.38 0.00 1.11 0.00 0.00 29.97 31.86 2jmm h ARG 20 CO 0.50 0.03 -0.61 -1.21 0.10 0.00 0.00 179.97 178.78 2jmm s GLU 21 N -3.92 1.87 0.01 0.08 0.41 -1.26 -4.77 118.70 111.12 2jmm s GLU 21 Ca -0.02 -2.16 0.00 0.00 -0.41 0.00 0.00 54.97 52.38 2jmm s GLU 21 Cb 0.11 -3.39 0.00 0.00 -1.78 0.00 0.00 34.13 29.07 2jmm s GLU 21 CO 0.51 -1.05 0.00 -1.71 -0.49 0.00 0.00 175.26 172.52 2jmm n ASN 22 N 3.90 -0.10 -2.74 -0.19 5.15 -1.26 -5.14 115.26 114.88 2jmm n ASN 22 Ca 0.04 0.04 -0.04 0.00 -0.60 0.00 0.00 54.58 54.02 2jmm n ASN 22 Cb 0.39 0.26 -0.03 0.00 -0.53 0.00 0.00 39.78 39.86 2jmm n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jmm n GLN 23 N -1.91 -3.68 -0.22 1.20 3.00 -1.26 -4.92 117.38 109.59 2jmm n GLN 23 Ca 0.00 2.85 0.00 0.00 -0.01 0.00 0.00 57.00 59.85 2jmm n GLN 23 Cb 0.00 -4.04 0.24 0.00 0.00 0.00 0.00 30.24 26.44 2jmm n GLN 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2jmm h LEU 24 N 4.25 0.87 -2.86 1.08 5.85 -1.41 -3.48 115.31 119.60 2jmm h LEU 24 Ca -0.39 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 2jmm h LEU 24 Cb 0.90 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2jmm h LEU 24 CO 0.02 0.63 -0.97 0.61 -0.34 0.00 0.00 178.44 178.39 2jmm n GLY 25 N -1.41 -1.54 0.33 3.75 0.00 -0.89 -4.78 105.19 100.65 2jmm n GLY 25 Ca 0.08 0.50 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 2jmm n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmm h ALA 26 N 2.98 1.20 0.00 4.61 0.00 -1.85 -3.45 119.26 122.75 2jmm h ALA 26 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jmm h ALA 26 Cb 0.74 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2jmm h ALA 26 CO 0.09 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.34 2jmm n GLY 27 N -0.98 0.81 3.78 0.00 0.00 0.18 -3.37 105.19 105.61 2jmm n GLY 27 Ca 0.06 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 2jmm n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmm s ALA 28 N -2.00 3.64 -0.25 4.61 0.00 0.50 -0.32 121.76 127.95 2jmm s ALA 28 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2jmm s ALA 28 Cb 0.00 -1.84 0.04 0.00 0.00 0.00 0.00 23.12 21.32 2jmm s ALA 28 CO 0.00 0.52 -0.09 0.12 0.00 0.00 0.00 175.76 176.31 2jmm s PHE 29 N -0.71 3.11 -0.37 0.00 5.36 0.82 -0.19 117.98 125.99 2jmm s PHE 29 Ca 0.12 -1.87 -0.01 0.00 -0.96 0.00 0.00 56.93 54.22 2jmm s PHE 29 Cb -0.12 -2.00 0.10 0.00 -0.34 0.00 0.00 43.02 40.66 2jmm s PHE 29 CO 0.03 -0.80 0.13 0.20 -1.46 0.00 0.00 175.22 173.31 2jmm s GLY 30 N 1.23 1.94 -0.12 13.12 0.00 0.67 -0.26 107.32 123.90 2jmm s GLY 30 Ca -0.03 -2.43 -0.04 0.00 0.00 0.00 0.00 44.72 42.23 2jmm s GLY 30 CO -0.06 0.96 0.01 -0.32 0.00 0.00 0.00 173.10 173.68 2jmm s GLY 31 N 1.49 1.83 -0.20 0.20 0.00 0.63 -0.38 107.32 110.89 2jmm s GLY 31 Ca 0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 44.72 43.99 2jmm s GLY 31 CO -0.05 -0.30 -0.03 -0.19 0.00 0.00 0.00 173.10 172.53 2jmm s TYR 32 N -0.30 1.81 -0.91 1.90 2.02 0.48 0.21 117.35 122.55 2jmm s TYR 32 Ca 0.07 -1.32 -0.06 0.00 -0.37 0.00 0.00 57.07 55.39 2jmm s TYR 32 Cb -0.12 -1.34 0.23 0.00 -0.40 0.00 0.00 41.96 40.32 2jmm s TYR 32 CO 0.02 -0.68 0.83 -1.14 -1.57 0.00 0.00 175.55 173.00 2jmm s GLN 33 N 1.59 3.51 0.00 -0.62 -0.44 0.31 -0.64 119.66 123.37 2jmm s GLN 33 Ca -0.03 -3.03 0.00 0.00 -2.50 0.00 0.00 55.36 49.80 2jmm s GLN 33 Cb -0.17 -4.18 0.00 0.00 -1.64 0.00 0.00 33.01 27.02 2jmm s GLN 33 CO -0.07 -1.25 0.17 0.28 0.50 0.00 0.00 175.29 174.92 2jmm n VAL 34 N 2.86 0.00 -2.80 1.34 0.31 -1.26 -0.76 118.33 118.02 2jmm n VAL 34 Ca 0.19 0.44 -0.41 0.00 -0.01 0.00 0.00 64.34 64.55 2jmm n VAL 34 Cb 0.39 -0.98 -0.05 0.00 -0.91 0.00 0.00 33.84 32.30 2jmm n VAL 34 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2jmm s ASN 35 N -1.54 7.45 -1.13 4.52 -0.87 -1.26 -1.42 114.94 120.69 2jmm s ASN 35 Ca 0.00 1.73 -0.23 0.00 -1.57 0.00 0.00 52.86 52.79 2jmm s ASN 35 Cb 0.00 -2.56 -0.11 0.00 -0.02 0.00 0.00 41.25 38.56 2jmm s ASN 35 CO 0.00 -0.01 1.94 -0.81 -2.57 0.00 0.00 177.10 175.65 2jmm n PRO 36 N 2.59 1.51 0.00 -0.60 -0.04 -1.25 -3.20 135.00 134.00 2jmm n PRO 36 Ca 0.00 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.10 2jmm n PRO 36 Cb 0.49 -3.65 0.00 0.00 -0.04 0.00 0.00 33.50 30.30 2jmm n PRO 36 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2jmm n TYR 37 N 13.95 -0.12 -5.00 0.54 4.19 -1.26 -5.04 117.16 124.42 2jmm n TYR 37 Ca 0.45 0.00 -0.32 0.00 3.31 0.00 0.00 57.90 61.34 2jmm n TYR 37 Cb 0.46 0.02 -0.15 0.00 0.49 0.00 0.00 39.34 40.17 2jmm n TYR 37 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2jmm s VAL 38 N -0.33 2.68 0.00 2.97 1.01 -1.20 -3.84 120.40 121.69 2jmm s VAL 38 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2jmm s VAL 38 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2jmm s VAL 38 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2jmm n GLY 39 N 2.93 4.65 3.13 4.51 0.00 0.35 -3.97 105.19 116.79 2jmm n GLY 39 Ca -0.18 -1.97 -0.18 0.00 0.00 0.00 0.00 46.02 43.70 2jmm n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jmm s PHE 40 N -1.06 1.08 -0.09 1.61 0.08 0.18 -0.18 117.98 119.61 2jmm s PHE 40 Ca 0.00 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.65 2jmm s PHE 40 Cb 0.00 -0.63 0.01 0.00 -0.57 0.00 0.00 43.02 41.84 2jmm s PHE 40 CO 0.00 0.02 -0.13 -1.21 -0.10 0.00 0.00 175.22 173.80 2jmm s GLU 41 N -1.45 1.91 -0.08 0.44 0.41 0.86 -0.39 118.70 120.41 2jmm s GLU 41 Ca -0.02 -0.46 0.03 0.00 -0.41 0.00 0.00 54.97 54.11 2jmm s GLU 41 Cb -0.09 -1.63 -0.02 0.00 -1.78 0.00 0.00 34.13 30.61 2jmm s GLU 41 CO 0.01 -0.03 -0.18 -1.64 -0.49 0.00 0.00 175.26 172.93 2jmm s MET 42 N 0.89 2.84 -0.25 1.61 -1.94 0.49 -1.09 119.30 121.84 2jmm s MET 42 Ca -0.10 -0.78 -0.01 0.00 -1.71 0.00 0.00 55.69 53.09 2jmm s MET 42 Cb -0.15 -2.37 0.03 0.00 2.01 0.00 0.00 34.83 34.35 2jmm s MET 42 CO 0.01 0.38 -0.06 0.20 -0.01 0.00 0.00 175.02 175.53 2jmm s GLY 43 N -0.11 1.64 -0.18 -0.03 0.00 -0.12 -0.23 107.32 108.28 2jmm s GLY 43 Ca -0.03 -1.52 -0.00 0.00 0.00 0.00 0.00 44.72 43.16 2jmm s GLY 43 CO 0.04 0.54 -0.14 -0.47 0.00 0.00 0.00 173.10 173.07 2jmm s TYR 44 N 1.29 2.82 0.01 1.90 6.14 0.73 0.25 117.35 130.50 2jmm s TYR 44 Ca -0.01 -1.22 0.01 0.00 0.64 0.00 0.00 57.07 56.48 2jmm s TYR 44 Cb -0.17 -1.95 -0.01 0.00 0.42 0.00 0.00 41.96 40.25 2jmm s TYR 44 CO -0.04 -0.61 -0.04 0.16 0.64 0.00 0.00 175.55 175.67 2jmm s ASP 45 N 1.13 0.40 -0.29 4.32 -4.77 0.30 -0.37 116.67 117.40 2jmm s ASP 45 Ca 0.01 -0.18 -0.16 0.00 -3.30 0.00 0.00 52.55 48.92 2jmm s ASP 45 Cb -0.14 -0.01 0.12 0.00 -1.09 0.00 0.00 42.92 41.79 2jmm s ASP 45 CO -0.05 -0.04 0.84 -1.66 0.70 0.00 0.00 175.17 174.96 2jmm s TRP 46 N -0.42 -0.81 -0.84 2.11 1.48 -1.26 -0.32 118.94 118.87 2jmm s TRP 46 Ca -0.02 1.61 0.08 0.00 -1.06 0.00 0.00 56.10 56.71 2jmm s TRP 46 Cb -0.03 0.49 0.19 0.00 -1.16 0.00 0.00 33.47 32.95 2jmm s TRP 46 CO -0.00 -0.40 1.06 1.47 -4.06 0.00 0.00 176.95 175.02 2jmm n LEU 47 N 4.05 2.41 -3.93 -4.66 -0.00 -1.26 -4.95 117.00 108.66 2jmm n LEU 47 Ca -0.19 -1.68 -0.41 0.00 -0.00 0.00 0.00 56.01 53.73 2jmm n LEU 47 Cb 0.58 -0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 43.84 2jmm n LEU 47 CO 0.00 0.57 2.20 0.61 -0.00 0.00 0.00 177.39 180.78 2jmm n GLY 48 N 0.36 2.98 3.32 1.47 0.00 -1.16 -4.86 105.19 107.29 2jmm n GLY 48 Ca 0.08 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 2jmm n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmm n ARG 49 N 7.08 3.39 -3.56 1.61 1.74 -1.26 -4.74 116.66 120.91 2jmm n ARG 49 Ca 0.50 -3.68 -0.07 0.00 -0.77 0.00 0.00 57.85 53.83 2jmm n ARG 49 Cb 0.42 -3.07 -0.03 0.00 -1.02 0.00 0.00 32.46 28.76 2jmm n ARG 49 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jmm s MET 50 N 1.63 0.56 -1.07 5.56 0.23 -1.26 -5.07 119.30 119.87 2jmm s MET 50 Ca 0.43 -0.11 -0.24 0.00 -1.03 0.00 0.00 55.69 54.74 2jmm s MET 50 Cb 0.01 0.26 -0.11 0.00 -1.53 0.00 0.00 34.83 33.47 2jmm s MET 50 CO 0.01 -0.23 2.01 -1.25 -2.03 0.00 0.00 175.02 173.53 2jmm s PRO 51 N -2.28 2.19 -0.22 3.16 0.04 -1.26 -4.77 135.00 131.86 2jmm s PRO 51 Ca 0.05 -0.72 -0.28 0.00 0.04 0.00 0.00 61.00 60.10 2jmm s PRO 51 Cb -0.01 -5.12 0.13 0.00 0.04 0.00 0.00 34.50 29.54 2jmm s PRO 51 CO -0.05 -4.17 1.05 0.50 0.04 0.00 0.00 177.00 174.36 2jmm s ARG 52 N 7.14 0.51 -1.02 4.56 3.00 -1.26 -5.09 118.95 126.79 2jmm s ARG 52 Ca 0.73 0.32 -0.23 0.00 -1.00 0.00 0.00 55.73 55.55 2jmm s ARG 52 Cb -0.04 0.24 0.05 0.00 0.00 0.00 0.00 34.95 35.21 2jmm s ARG 52 CO 0.11 -0.12 1.45 0.15 0.00 0.00 0.00 175.30 176.88 2jmm s LYS 53 N -0.49 3.59 -0.42 5.12 1.02 -1.26 -4.77 119.74 122.53 2jmm s LYS 53 Ca 0.01 -1.13 0.11 0.00 0.02 0.00 0.00 55.97 54.98 2jmm s LYS 53 Cb -0.03 -5.35 0.38 0.00 -0.52 0.00 0.00 37.83 32.31 2jmm s LYS 53 CO -0.03 -2.20 0.87 0.00 -0.92 0.00 0.00 175.35 173.07 2jmm n ALA 54 N 8.86 3.29 -2.56 5.17 0.00 -1.26 -5.10 120.51 128.91 2jmm n ALA 54 Ca 0.33 -3.76 -0.23 0.00 0.00 0.00 0.00 53.44 49.78 2jmm n ALA 54 Cb 0.51 -0.84 -0.13 0.00 0.00 0.00 0.00 19.45 18.99 2jmm n ALA 54 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2jmm s GLN 55 N -2.95 1.16 0.09 0.00 1.11 -1.26 -2.98 119.66 114.82 2jmm s GLN 55 Ca 0.40 -0.94 0.10 0.00 0.01 0.00 0.00 55.36 54.93 2jmm s GLN 55 Cb 0.36 -1.27 -0.03 0.00 -1.01 0.00 0.00 33.01 31.06 2jmm s GLN 55 CO -0.08 0.31 -0.25 0.20 0.01 0.00 0.00 175.29 175.48 2jmm s GLY 56 N -1.37 1.41 -0.02 3.09 0.00 0.56 -4.69 107.32 106.30 2jmm s GLY 56 Ca 0.05 -1.32 -0.11 0.00 0.00 0.00 0.00 44.72 43.33 2jmm s GLY 56 CO 0.02 -1.28 0.23 0.54 0.00 0.00 0.00 173.10 172.62 2jmm s VAL 57 N -0.99 0.06 -0.12 1.40 0.11 0.31 -0.54 120.40 120.63 2jmm s VAL 57 Ca 0.11 -0.48 0.03 0.00 -2.93 0.00 0.00 61.98 58.71 2jmm s VAL 57 Cb -0.10 -0.50 0.01 0.00 -1.53 0.00 0.00 36.38 34.26 2jmm s VAL 57 CO 0.04 -0.26 -0.21 -1.10 -3.33 0.00 0.00 175.10 170.24 2jmm s GLN 58 N -1.10 2.83 -0.27 1.54 -0.21 0.14 -0.81 119.66 121.78 2jmm s GLN 58 Ca -0.12 -0.79 0.00 0.00 0.02 0.00 0.00 55.36 54.48 2jmm s GLN 58 Cb -0.06 -2.27 0.05 0.00 1.00 0.00 0.00 33.01 31.73 2jmm s GLN 58 CO 0.03 0.02 -0.07 -1.17 -2.12 0.00 0.00 175.29 171.97 2jmm s LEU 59 N 0.75 3.52 0.04 2.90 1.98 -1.02 -0.94 118.68 125.90 2jmm s LEU 59 Ca -0.10 -1.24 0.04 0.00 -2.89 0.00 0.00 54.13 49.94 2jmm s LEU 59 Cb -0.16 -1.62 -0.02 0.00 0.66 0.00 0.00 46.19 45.05 2jmm s LEU 59 CO 0.00 -0.20 -0.12 0.28 -1.89 0.00 0.00 176.35 174.43 2jmm s THR 60 N 1.20 0.93 -0.13 3.68 -1.32 -0.25 -0.13 115.64 119.61 2jmm s THR 60 Ca -0.06 -0.96 -0.06 0.00 -1.21 0.00 0.00 61.69 59.41 2jmm s THR 60 Cb -0.19 -0.87 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 2jmm s THR 60 CO -0.04 -0.08 0.08 0.00 -2.21 0.00 0.00 174.62 172.37 2jmm s ALA 61 N -0.91 3.55 0.01 11.08 0.00 0.50 -0.10 121.76 135.90 2jmm s ALA 61 Ca -0.01 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.29 2jmm s ALA 61 Cb -0.08 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 2jmm s ALA 61 CO 0.01 0.45 -0.17 -1.59 0.00 0.00 0.00 175.76 174.46 2jmm s LYS 62 N -0.49 2.19 -0.07 0.00 -2.85 0.75 -0.65 119.74 118.62 2jmm s LYS 62 Ca 0.10 -0.90 0.03 0.00 -1.00 0.00 0.00 55.97 54.20 2jmm s LYS 62 Cb -0.12 -2.23 -0.02 0.00 -2.06 0.00 0.00 37.83 33.40 2jmm s LYS 62 CO 0.02 0.56 -0.17 -0.51 0.10 0.00 0.00 175.35 175.36 2jmm s LEU 63 N -1.22 2.57 -0.40 2.77 1.43 0.55 -0.49 118.68 123.89 2jmm s LEU 63 Ca 0.14 -0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 52.74 2jmm s LEU 63 Cb -0.10 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.60 2jmm s LEU 63 CO 0.04 0.28 0.56 -0.83 0.23 0.00 0.00 176.35 176.62 2jmm s GLY 64 N -0.33 1.79 -0.38 -3.19 0.00 -1.25 -1.50 107.32 102.46 2jmm s GLY 64 Ca 0.02 -1.19 -0.05 0.00 0.00 0.00 0.00 44.72 43.50 2jmm s GLY 64 CO 0.02 1.36 0.17 -0.19 0.00 0.00 0.00 173.10 174.47 2jmm s TYR 65 N 2.53 3.39 0.00 1.90 1.51 0.12 -5.02 117.35 121.78 2jmm s TYR 65 Ca 0.19 -1.86 0.00 0.00 -1.01 0.00 0.00 57.07 54.39 2jmm s TYR 65 Cb -0.15 -2.79 0.00 0.00 -0.11 0.00 0.00 41.96 38.91 2jmm s TYR 65 CO 0.16 -0.86 0.00 -0.35 -1.11 0.00 0.00 175.55 173.38 2jmm n PRO 66 N 4.74 3.48 0.00 -1.71 -0.04 -1.26 -0.38 135.00 139.83 2jmm n PRO 66 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2jmm n PRO 66 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 2jmm n PRO 66 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2jmm n LYS 67 N 0.00 0.00 -1.60 0.54 4.81 -1.26 -4.76 118.16 115.90 2jmm n LYS 67 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 2jmm n LYS 67 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 2jmm n LYS 67 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2jmm s LEU 68 N 0.00 3.38 0.00 3.14 2.96 -1.26 -3.76 118.68 123.14 2jmm s LEU 68 Ca 0.00 0.99 0.00 0.00 -0.22 0.00 0.00 54.13 54.90 2jmm s LEU 68 Cb 0.00 -2.50 0.00 0.00 0.50 0.00 0.00 46.19 44.19 2jmm s LEU 68 CO 0.00 -2.88 0.00 0.61 -1.32 0.00 0.00 176.35 172.76 2jmm n GLY 69 N 6.01 1.50 3.63 7.98 0.00 -1.26 -4.84 105.19 118.20 2jmm n GLY 69 Ca 0.36 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.72 2jmm n GLY 69 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jmm s THR 70 N 0.00 0.00 0.51 2.61 -1.32 -1.25 -5.06 115.64 111.14 2jmm s THR 70 Ca 0.00 -0.04 0.28 0.00 -1.21 0.00 0.00 61.69 60.72 2jmm s THR 70 Cb 0.00 -2.14 0.45 0.00 -1.51 0.00 0.00 72.50 69.31 2jmm s THR 70 CO 0.00 0.00 1.89 0.44 -2.21 0.00 0.00 174.62 174.74 2jmm h ASP 71 N 2.00 0.09 -0.28 8.08 5.19 -1.91 0.87 116.42 130.46 2jmm h ASP 71 Ca -0.31 0.01 0.08 0.00 -0.62 0.00 0.00 57.03 56.19 2jmm h ASP 71 Cb 1.19 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 2jmm h ASP 71 CO 0.30 0.03 0.21 0.44 -3.12 0.00 0.00 179.24 177.10 2jmm h ASP 72 N 0.09 0.00 -3.54 6.45 5.19 -1.93 -3.39 116.42 119.29 2jmm h ASP 72 Ca 0.42 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 56.20 2jmm h ASP 72 Cb 1.53 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 40.67 2jmm h ASP 72 CO -0.04 0.00 -0.81 -1.48 -3.12 0.00 0.00 179.24 173.79 2jmm s LEU 73 N -8.72 2.58 -0.08 1.55 2.34 0.30 -0.30 118.68 116.35 2jmm s LEU 73 Ca -0.05 -1.04 0.03 0.00 0.06 0.00 0.00 54.13 53.13 2jmm s LEU 73 Cb 0.18 -1.30 -0.01 0.00 -0.56 0.00 0.00 46.19 44.49 2jmm s LEU 73 CO 0.68 -0.17 -0.18 -0.62 -1.06 0.00 0.00 176.35 175.01 2jmm s ASP 74 N 1.33 3.63 0.07 1.48 2.15 0.40 -4.42 116.67 121.30 2jmm s ASP 74 Ca -0.03 -0.37 -0.16 0.00 0.43 0.00 0.00 52.55 52.41 2jmm s ASP 74 Cb -0.17 -1.15 -0.06 0.00 -0.30 0.00 0.00 42.92 41.23 2jmm s ASP 74 CO -0.07 0.24 0.49 -0.63 -0.17 0.00 0.00 175.17 175.03 2jmm s ILE 75 N -0.09 4.90 -0.08 4.11 1.09 0.49 -0.32 121.20 131.29 2jmm s ILE 75 Ca -0.04 0.93 0.02 0.00 -1.10 0.00 0.00 60.65 60.46 2jmm s ILE 75 Cb -0.14 -3.77 0.01 0.00 -1.06 0.00 0.00 42.46 37.50 2jmm s ILE 75 CO 0.04 0.47 -0.15 -0.31 -0.10 0.00 0.00 174.94 174.89 2jmm s TYR 76 N -1.21 1.74 -0.22 3.97 1.51 0.13 0.14 117.35 123.42 2jmm s TYR 76 Ca 0.30 -0.70 -0.05 0.00 -1.01 0.00 0.00 57.07 55.60 2jmm s TYR 76 Cb -0.17 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 2jmm s TYR 76 CO 0.17 -0.35 0.01 0.95 -1.11 0.00 0.00 175.55 175.23 2jmm s THR 77 N 0.70 3.96 -0.12 -0.71 -4.23 -0.56 -1.13 115.64 113.55 2jmm s THR 77 Ca -0.13 -0.30 0.01 0.00 -1.18 0.00 0.00 61.69 60.09 2jmm s THR 77 Cb -0.16 -2.81 0.02 0.00 1.34 0.00 0.00 72.50 70.89 2jmm s THR 77 CO 0.03 0.40 -0.14 -0.13 -0.54 0.00 0.00 174.62 174.24 2jmm s ARG 78 N 1.25 2.21 -0.06 3.99 0.52 0.35 -0.33 118.95 126.88 2jmm s ARG 78 Ca 0.04 -0.54 0.04 0.00 -0.52 0.00 0.00 55.73 54.74 2jmm s ARG 78 Cb -0.15 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.38 2jmm s ARG 78 CO 0.01 -0.13 -0.17 -0.48 0.02 0.00 0.00 175.30 174.55 2jmm s LEU 79 N 1.20 1.86 0.00 2.53 0.05 0.18 0.23 118.68 124.73 2jmm s LEU 79 Ca -0.02 -0.39 0.00 0.00 0.05 0.00 0.00 54.13 53.78 2jmm s LEU 79 Cb -0.14 -1.03 0.00 0.00 -2.05 0.00 0.00 46.19 42.97 2jmm s LEU 79 CO -0.05 0.11 0.00 0.61 -0.55 0.00 0.00 176.35 176.47 2jmm n GLY 80 N 3.47 -0.83 0.00 -3.48 0.00 -0.60 -0.37 105.19 103.39 2jmm n GLY 80 Ca -0.20 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2jmm n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jmm n GLY 81 N 0.00 2.99 3.54 -0.02 0.00 0.82 0.06 105.19 112.57 2jmm n GLY 81 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 2jmm n GLY 81 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jmm s MET 82 N -1.09 1.40 -0.22 1.61 -1.94 -1.26 -2.44 119.30 115.37 2jmm s MET 82 Ca 0.00 -0.80 -0.12 0.00 -1.71 0.00 0.00 55.69 53.05 2jmm s MET 82 Cb 0.00 0.54 -0.05 0.00 2.01 0.00 0.00 34.83 37.34 2jmm s MET 82 CO 0.00 -0.60 0.24 0.14 -0.01 0.00 0.00 175.02 174.79 2jmm s VAL 83 N -3.85 5.31 0.14 -6.03 -7.23 0.01 -4.51 120.40 104.24 2jmm s VAL 83 Ca 0.08 0.37 0.06 0.00 -1.81 0.00 0.00 61.98 60.68 2jmm s VAL 83 Cb -0.02 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 2jmm s VAL 83 CO -0.04 0.33 0.01 -1.66 -0.31 0.00 0.00 175.10 173.43 2jmm s TRP 84 N 1.02 2.92 -0.68 2.82 -2.14 -1.23 -0.53 118.94 121.13 2jmm s TRP 84 Ca 0.12 -0.09 -0.17 0.00 2.66 0.00 0.00 56.10 58.62 2jmm s TRP 84 Cb -0.14 -1.45 0.14 0.00 -3.10 0.00 0.00 33.47 28.92 2jmm s TRP 84 CO 0.05 0.50 0.74 0.50 -2.66 0.00 0.00 176.95 176.08 2jmm s ARG 85 N -2.69 3.23 0.00 3.25 6.06 -1.26 -4.85 118.95 122.69 2jmm s ARG 85 Ca 0.27 -1.68 0.00 0.00 -2.50 0.00 0.00 55.73 51.82 2jmm s ARG 85 Cb -0.10 -4.39 0.00 0.00 0.06 0.00 0.00 34.95 30.52 2jmm s ARG 85 CO 0.19 -1.49 0.00 0.00 -2.50 0.00 0.00 175.30 171.50 2jmm n ALA 86 N 5.70 1.24 -3.48 6.12 0.00 -1.26 -4.60 120.51 124.23 2jmm n ALA 86 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 2jmm n ALA 86 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 2jmm n ALA 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jmm s ASP 87 N 1.00 -0.59 -0.02 0.00 2.15 -1.26 -5.07 116.67 112.88 2jmm s ASP 87 Ca 0.00 0.78 -0.29 0.00 0.43 0.00 0.00 52.55 53.48 2jmm s ASP 87 Cb 0.00 0.73 0.10 0.00 -0.30 0.00 0.00 42.92 43.45 2jmm s ASP 87 CO 0.00 -0.47 0.89 0.28 -0.17 0.00 0.00 175.17 175.70 2jmm s THR 88 N -0.77 0.00 0.23 1.71 -1.32 -1.26 -5.17 115.64 109.06 2jmm s THR 88 Ca -0.08 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.49 2jmm s THR 88 Cb -0.02 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.92 2jmm s THR 88 CO 0.06 0.00 -0.18 -0.55 -2.21 0.00 0.00 174.62 171.75 2jmm s SER 89 N -2.31 3.02 0.07 8.08 0.15 -1.26 -5.17 113.70 116.28 2jmm s SER 89 Ca 0.04 -0.99 0.05 0.00 0.70 0.00 0.00 55.95 55.75 2jmm s SER 89 Cb -0.01 -0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 64.06 2jmm s SER 89 CO -0.08 -0.05 -0.14 -0.62 1.20 0.00 0.00 173.24 173.55 2jmm s ASP 90 N -3.25 1.61 0.33 5.45 -1.08 -1.26 -5.06 116.67 113.41 2jmm s ASP 90 Ca 0.24 -0.61 0.00 0.00 -0.52 0.00 0.00 52.55 51.66 2jmm s ASP 90 Cb -0.04 -0.04 0.00 0.00 -1.46 0.00 0.00 42.92 41.38 2jmm s ASP 90 CO 0.10 -0.09 0.00 1.17 0.52 0.00 0.00 175.17 176.87 2jmm n LYS 91 N 1.29 -4.06 0.00 4.34 0.00 -1.26 -5.11 118.16 113.37 2jmm n LYS 91 Ca -0.21 2.95 0.00 0.00 0.00 0.00 0.00 58.31 61.05 2jmm n LYS 91 Cb 0.54 -3.27 0.00 0.00 0.00 0.00 0.00 35.03 32.30 2jmm n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jmm n ASP 92 N 0.02 0.00 -3.03 3.14 -0.08 -1.26 -5.11 116.55 110.24 2jmm n ASP 92 Ca 0.00 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 2jmm n ASP 92 Cb 0.00 -0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2jmm n ASP 92 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2jmm s GLY 93 N -2.04 -1.14 0.24 0.27 0.00 -1.26 -5.14 107.32 98.25 2jmm s GLY 93 Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 44.72 46.51 2jmm s GLY 93 CO 0.00 4.16 0.00 -2.01 0.00 0.00 0.00 173.10 175.25 2jmm n ASN 94 N 4.63 -3.29 -1.74 1.64 5.15 -1.26 -5.07 115.26 115.32 2jmm n ASN 94 Ca 0.08 0.56 -0.00 0.00 -0.60 0.00 0.00 54.58 54.61 2jmm n ASN 94 Cb 0.60 -2.00 0.00 0.00 -0.53 0.00 0.00 39.78 37.84 2jmm n ASN 94 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jmm n GLY 95 N -3.03 -2.43 3.22 8.20 0.00 -1.26 -5.09 105.19 104.79 2jmm n GLY 95 Ca -0.03 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 2jmm n GLY 95 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jmm s TYR 96 N -0.60 1.79 0.01 1.61 2.02 -1.26 -4.95 117.35 115.97 2jmm s TYR 96 Ca 0.01 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 2jmm s TYR 96 Cb -0.00 -1.12 0.00 0.00 -0.40 0.00 0.00 41.96 40.44 2jmm s TYR 96 CO 0.15 0.01 0.00 1.51 -1.57 0.00 0.00 175.55 175.65 2jmm n ILE 97 N 2.32 0.00 0.00 2.71 3.06 -1.26 -5.11 119.36 121.09 2jmm n ILE 97 Ca -0.16 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.09 2jmm n ILE 97 Cb 0.53 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.71 2jmm n ILE 97 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 2jmm n SER 98 N -1.99 0.00 -1.11 9.51 3.41 -1.26 -5.18 113.62 117.00 2jmm n SER 98 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jmm n SER 98 Cb 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 2jmm n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jmm n ALA 99 N -1.99 -1.73 -2.24 7.33 0.00 -1.26 -4.80 120.51 115.83 2jmm n ALA 99 Ca 0.00 0.33 -0.33 0.00 0.00 0.00 0.00 53.44 53.44 2jmm n ALA 99 Cb 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.26 2jmm n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmm s ALA 100 N -3.55 2.19 0.00 0.00 0.00 -1.26 -4.84 121.76 114.30 2jmm s ALA 100 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 49.85 2jmm s ALA 100 Cb 0.00 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.51 2jmm s ALA 100 CO 0.00 -4.48 1.14 0.39 0.00 0.00 0.00 175.76 172.80 2jmm n GLU 101 N 8.58 0.70 -3.64 0.00 -0.58 -1.26 -4.77 120.64 119.66 2jmm n GLU 101 Ca 0.42 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 57.01 2jmm n GLU 101 Cb 0.47 -1.15 -0.08 0.00 -0.57 0.00 0.00 31.44 30.12 2jmm n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jmm s ALA 102 N 0.49 -1.33 0.38 0.62 0.00 -1.26 -5.09 121.76 115.57 2jmm s ALA 102 Ca 0.00 1.03 -0.26 0.00 0.00 0.00 0.00 51.96 52.73 2jmm s ALA 102 Cb 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 23.12 22.85 2jmm s ALA 102 CO 0.00 -0.31 1.17 0.45 0.00 0.00 0.00 175.76 177.07 2jmm s SER 103 N -0.90 6.64 0.23 0.00 0.15 -1.26 -5.06 113.70 113.50 2jmm s SER 103 Ca -0.09 2.35 0.01 0.00 0.70 0.00 0.00 55.95 58.92 2jmm s SER 103 Cb -0.03 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 2jmm s SER 103 CO 0.06 -0.59 0.06 0.68 1.20 0.00 0.00 173.24 174.64 2jmm s VAL 104 N -1.38 0.61 0.36 4.45 -7.23 -1.26 -4.84 120.40 111.11 2jmm s VAL 104 Ca 0.55 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 2jmm s VAL 104 Cb -0.31 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.18 2jmm s VAL 104 CO 0.39 -0.17 0.00 -1.20 -0.31 0.00 0.00 175.10 173.81 2jmm n SER 105 N -0.38 -5.30 -4.77 4.85 7.64 -1.26 -4.94 113.62 109.46 2jmm n SER 105 Ca -0.02 1.10 -0.40 0.00 1.01 0.00 0.00 58.87 60.56 2jmm n SER 105 Cb 0.65 -2.73 0.01 0.00 -1.01 0.00 0.00 64.21 61.13 2jmm n SER 105 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2jmm s PRO 106 N -4.83 3.83 -0.06 1.43 0.04 -1.26 -4.92 135.00 129.23 2jmm s PRO 106 Ca 0.00 2.43 0.04 0.00 0.04 0.00 0.00 61.00 63.51 2jmm s PRO 106 Cb 0.00 -2.75 -0.02 0.00 0.04 0.00 0.00 34.50 31.77 2jmm s PRO 106 CO 0.00 -0.71 -0.19 0.08 0.04 0.00 0.00 177.00 176.22 2jmm s VAL 107 N -1.19 2.59 -0.10 -0.36 1.01 0.11 -4.81 120.40 117.65 2jmm s VAL 107 Ca 0.58 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2jmm s VAL 107 Cb -0.44 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 2jmm s VAL 107 CO 0.57 0.57 -0.23 -0.36 0.00 0.00 0.00 175.10 175.65 2jmm s PHE 108 N -0.34 2.59 -0.08 5.22 0.40 0.17 -1.56 117.98 124.38 2jmm s PHE 108 Ca 0.02 -1.04 0.04 0.00 -0.60 0.00 0.00 56.93 55.36 2jmm s PHE 108 Cb -0.12 -1.73 0.00 0.00 0.51 0.00 0.00 43.02 41.68 2jmm s PHE 108 CO 0.02 -0.42 -0.21 0.00 0.70 0.00 0.00 175.22 175.32 2jmm s ALA 109 N 0.37 1.89 -0.42 5.36 0.00 0.14 -0.13 121.76 128.97 2jmm s ALA 109 Ca -0.18 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 50.94 2jmm s ALA 109 Cb -0.18 -0.70 0.11 0.00 0.00 0.00 0.00 23.12 22.36 2jmm s ALA 109 CO 0.08 0.27 0.20 0.20 0.00 0.00 0.00 175.76 176.51 2jmm s GLY 110 N 0.29 2.03 0.04 0.00 0.00 0.27 -0.49 107.32 109.47 2jmm s GLY 110 Ca -0.14 -2.61 0.07 0.00 0.00 0.00 0.00 44.72 42.04 2jmm s GLY 110 CO 0.06 1.02 -0.17 -0.32 0.00 0.00 0.00 173.10 173.70 2jmm s GLY 111 N 1.54 1.61 -0.03 0.20 0.00 -0.28 -0.33 107.32 110.02 2jmm s GLY 111 Ca 0.10 -1.19 0.07 0.00 0.00 0.00 0.00 44.72 43.70 2jmm s GLY 111 CO -0.05 -1.08 -0.24 -1.34 0.00 0.00 0.00 173.10 170.39 2jmm s VAL 112 N -0.96 1.89 -0.34 1.40 -7.23 0.09 0.21 120.40 115.46 2jmm s VAL 112 Ca 0.15 -1.01 -0.06 0.00 -1.81 0.00 0.00 61.98 59.26 2jmm s VAL 112 Cb -0.11 -1.58 0.05 0.00 0.56 0.00 0.00 36.38 35.30 2jmm s VAL 112 CO 0.06 0.53 0.10 -0.70 -0.31 0.00 0.00 175.10 174.78 2jmm s GLU 113 N -0.41 2.57 -0.05 4.82 2.12 0.56 -1.47 118.70 126.84 2jmm s GLU 113 Ca 0.05 -1.23 0.06 0.00 0.36 0.00 0.00 54.97 54.21 2jmm s GLU 113 Cb -0.10 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 2jmm s GLU 113 CO 0.00 -0.69 -0.24 -0.47 -0.54 0.00 0.00 175.26 173.32 2jmm s TYR 114 N 1.37 2.35 -0.25 5.30 5.04 0.89 -0.45 117.35 131.60 2jmm s TYR 114 Ca -0.02 -0.66 0.00 0.00 -2.44 0.00 0.00 57.07 53.96 2jmm s TYR 114 Cb -0.20 -1.54 0.07 0.00 0.35 0.00 0.00 41.96 40.64 2jmm s TYR 114 CO 0.02 -0.18 -0.01 0.54 -1.34 0.00 0.00 175.55 174.58 2jmm s VAL 115 N -0.22 1.35 -0.76 3.14 0.11 0.59 -0.94 120.40 123.67 2jmm s VAL 115 Ca -0.01 -1.24 0.03 0.00 -2.93 0.00 0.00 61.98 57.82 2jmm s VAL 115 Cb -0.13 -1.74 0.30 0.00 -1.53 0.00 0.00 36.38 33.28 2jmm s VAL 115 CO 0.03 -0.24 1.11 0.00 -3.33 0.00 0.00 175.10 172.67 2jmm n ILE 116 N 4.72 3.71 0.00 7.04 0.13 -1.26 -4.75 119.36 128.95 2jmm n ILE 116 Ca -0.09 -5.59 0.00 0.00 -1.10 0.00 0.00 62.75 55.98 2jmm n ILE 116 Cb 0.44 -1.81 0.00 0.00 -0.84 0.00 0.00 39.64 37.43 2jmm n ILE 116 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2jmm n ARG 117 N 0.47 3.27 0.00 9.51 1.74 -1.26 -5.05 116.66 125.34 2jmm n ARG 117 Ca 0.32 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 2jmm n ARG 117 Cb 0.37 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 2jmm n ARG 117 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jmm n ARG 118 N -1.88 0.00 -3.95 5.56 5.12 -1.26 -4.89 116.66 115.36 2jmm n ARG 118 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 2jmm n ARG 118 Cb 0.44 -1.63 -0.05 0.00 -1.16 0.00 0.00 32.46 30.07 2jmm n ARG 118 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2jmm s ARG 119 N 0.00 3.33 0.00 5.56 0.52 -1.26 -5.06 118.95 122.04 2jmm s ARG 119 Ca 0.00 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 2jmm s ARG 119 Cb 0.00 -2.98 0.00 0.00 0.52 0.00 0.00 34.95 32.49 2jmm s ARG 119 CO 0.00 0.61 0.00 -0.89 0.02 0.00 0.00 175.30 175.04 2jmm n ILE 120 N 0.37 0.00 -1.42 1.52 5.41 -1.26 -4.94 119.36 119.04 2jmm n ILE 120 Ca -0.06 0.00 0.16 0.00 1.00 0.00 0.00 62.75 63.85 2jmm n ILE 120 Cb 0.51 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.35 2jmm n ILE 120 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2jmm n THR 121 N -0.25 -1.00 -0.92 1.39 -2.24 -1.26 -4.91 114.28 105.09 2jmm n THR 121 Ca 0.00 0.94 -0.30 0.00 -2.27 0.00 0.00 64.05 62.42 2jmm n THR 121 Cb 0.00 -1.42 0.15 0.00 -2.10 0.00 0.00 70.33 66.96 2jmm n THR 121 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2jmm s PRO 122 N -4.45 1.18 -1.08 -0.78 0.04 -1.26 -4.91 135.00 123.74 2jmm s PRO 122 Ca 0.00 1.25 -0.23 0.00 0.04 0.00 0.00 61.00 62.05 2jmm s PRO 122 Cb 0.00 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.65 2jmm s PRO 122 CO 0.00 -2.42 1.94 0.39 0.04 0.00 0.00 177.00 176.95 2jmm n GLU 123 N -4.06 1.37 -4.02 4.56 4.71 -1.26 -4.87 120.64 117.07 2jmm n GLU 123 Ca 0.09 -2.25 -0.31 0.00 -0.01 0.00 0.00 57.16 54.68 2jmm n GLU 123 Cb 0.53 -3.60 -0.15 0.00 -1.01 0.00 0.00 31.44 27.21 2jmm n GLU 123 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2jmm s ILE 124 N 10.76 2.11 -0.20 -3.67 -1.09 -1.26 -3.77 121.20 124.08 2jmm s ILE 124 Ca 0.68 -1.90 -0.02 0.00 -2.23 0.00 0.00 60.65 57.18 2jmm s ILE 124 Cb 0.02 -2.39 -0.00 0.00 -1.58 0.00 0.00 42.46 38.50 2jmm s ILE 124 CO 0.15 -0.30 -0.09 0.00 -1.23 0.00 0.00 174.94 173.46 2jmm s ALA 125 N 1.06 2.67 -0.31 9.38 0.00 -0.00 -4.86 121.76 129.70 2jmm s ALA 125 Ca 0.01 -1.17 -0.28 0.00 0.00 0.00 0.00 51.96 50.51 2jmm s ALA 125 Cb -0.19 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.41 2jmm s ALA 125 CO -0.07 -0.37 1.04 0.99 0.00 0.00 0.00 175.76 177.34 2jmm s THR 126 N 1.37 4.57 -0.20 0.00 2.01 -0.12 -0.53 115.64 122.73 2jmm s THR 126 Ca 0.05 1.71 -0.02 0.00 0.31 0.00 0.00 61.69 63.74 2jmm s THR 126 Cb -0.14 -4.37 0.00 0.00 0.01 0.00 0.00 72.50 68.00 2jmm s THR 126 CO -0.06 -0.41 -0.11 -0.13 -0.69 0.00 0.00 174.62 173.23 2jmm s ARG 127 N 3.51 3.21 -0.19 4.92 0.52 0.60 -0.08 118.95 131.45 2jmm s ARG 127 Ca 0.44 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.94 2jmm s ARG 127 Cb -0.13 -2.83 0.03 0.00 0.52 0.00 0.00 34.95 32.54 2jmm s ARG 127 CO 0.14 -0.21 -0.16 -0.48 0.02 0.00 0.00 175.30 174.61 2jmm s LEU 128 N 1.40 2.23 -0.07 2.53 0.05 -0.54 -0.33 118.68 123.94 2jmm s LEU 128 Ca 0.05 -0.74 0.05 0.00 0.05 0.00 0.00 54.13 53.54 2jmm s LEU 128 Cb -0.14 -1.40 -0.01 0.00 -2.05 0.00 0.00 46.19 42.60 2jmm s LEU 128 CO -0.07 -0.05 -0.24 -0.70 -0.55 0.00 0.00 176.35 174.74 2jmm s GLU 129 N 1.32 2.68 -0.19 1.48 2.12 0.94 -0.73 118.70 126.32 2jmm s GLU 129 Ca 0.02 -0.86 -0.13 0.00 0.36 0.00 0.00 54.97 54.37 2jmm s GLU 129 Cb -0.14 -2.16 -0.05 0.00 0.26 0.00 0.00 34.13 32.05 2jmm s GLU 129 CO -0.11 0.28 0.25 0.71 -0.54 0.00 0.00 175.26 175.85 2jmm s TYR 130 N 0.08 3.41 -0.35 5.30 2.02 0.55 -0.15 117.35 128.21 2jmm s TYR 130 Ca -0.10 0.47 -0.06 0.00 -0.37 0.00 0.00 57.07 57.01 2jmm s TYR 130 Cb -0.15 -2.32 0.05 0.00 -0.40 0.00 0.00 41.96 39.13 2jmm s TYR 130 CO 0.06 0.17 0.12 -1.14 -1.57 0.00 0.00 175.55 173.19 2jmm s GLN 131 N 0.71 2.57 0.07 -0.62 0.74 0.10 -0.56 119.66 122.67 2jmm s GLN 131 Ca 0.13 -1.26 0.09 0.00 0.05 0.00 0.00 55.36 54.37 2jmm s GLN 131 Cb -0.13 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.46 2jmm s GLN 131 CO 0.03 -0.72 -0.22 -0.46 -0.55 0.00 0.00 175.29 173.37 2jmm s TRP 132 N 1.38 2.44 0.00 1.67 -0.11 0.82 -1.05 118.94 124.09 2jmm s TRP 132 Ca -0.01 -0.32 0.00 0.00 1.22 0.00 0.00 56.10 56.99 2jmm s TRP 132 Cb -0.20 -1.39 0.00 0.00 -1.50 0.00 0.00 33.47 30.38 2jmm s TRP 132 CO 0.02 0.25 0.00 2.41 -4.62 0.00 0.00 176.95 175.01 2jmm n THR 133 N 1.37 0.00 0.06 5.86 -1.04 -1.26 -0.66 114.28 118.62 2jmm n THR 133 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2jmm n THR 133 Cb 0.52 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 2jmm n THR 133 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2jmm n ASN 134 N -1.28 -1.08 -4.58 8.00 2.85 -1.26 -4.90 115.26 113.01 2jmm n ASN 134 Ca 0.00 0.47 -0.34 0.00 -0.11 0.00 0.00 54.58 54.59 2jmm n ASN 134 Cb 0.00 1.28 0.11 0.00 1.24 0.00 0.00 39.78 42.41 2jmm n ASN 134 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2jmm n ASN 135 N -2.88 -0.06 -2.41 1.20 2.85 -1.26 -4.55 115.26 108.15 2jmm n ASN 135 Ca 0.00 0.56 -0.03 0.00 -0.11 0.00 0.00 54.58 55.00 2jmm n ASN 135 Cb 0.00 -1.38 -0.02 0.00 1.24 0.00 0.00 39.78 39.62 2jmm n ASN 135 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jmm n ALA 136 N -3.00 -3.51 -1.52 5.20 0.00 -1.26 -4.81 120.51 111.61 2jmm n ALA 136 Ca 0.12 1.33 -0.39 0.00 0.00 0.00 0.00 53.44 54.50 2jmm n ALA 136 Cb 0.51 -2.60 -0.09 0.00 0.00 0.00 0.00 19.45 17.26 2jmm n ALA 136 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jmm n SER 137 N 1.03 1.24 -1.84 0.00 7.64 -1.26 -1.02 113.62 119.41 2jmm n SER 137 Ca -0.20 -0.14 -0.18 0.00 1.01 0.00 0.00 58.87 59.35 2jmm n SER 137 Cb 0.31 -1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 62.25 2jmm n SER 137 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jmm n ASP 138 N 13.06 -5.24 -4.41 6.43 8.00 -1.26 -4.99 116.55 128.14 2jmm n ASP 138 Ca 0.52 0.14 -0.20 0.00 0.71 0.00 0.00 54.79 55.97 2jmm n ASP 138 Cb 0.27 -4.32 -0.10 0.00 -0.02 0.00 0.00 41.12 36.95 2jmm n ASP 138 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2jmm s ASN 139 N -2.40 2.09 0.00 -2.24 3.84 -0.19 -5.15 114.94 110.89 2jmm s ASN 139 Ca 0.00 -1.35 0.00 0.00 0.21 0.00 0.00 52.86 51.72 2jmm s ASN 139 Cb 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 41.25 40.67 2jmm s ASN 139 CO 0.00 -0.61 0.00 0.61 -2.79 0.00 0.00 177.10 174.31 2jmm n GLY 140 N -0.60 1.30 3.44 1.21 0.00 -1.26 -4.69 105.19 104.59 2jmm n GLY 140 Ca -0.02 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 2jmm n GLY 140 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jmm s MET 141 N 1.72 1.75 -0.23 1.61 -1.94 -0.21 -4.43 119.30 117.57 2jmm s MET 141 Ca 0.00 -1.17 0.02 0.00 -1.71 0.00 0.00 55.69 52.83 2jmm s MET 141 Cb 0.00 -2.06 0.05 0.00 2.01 0.00 0.00 34.83 34.83 2jmm s MET 141 CO 0.00 0.49 -0.11 -1.17 -0.01 0.00 0.00 175.02 174.22 2jmm s LEU 142 N -1.86 2.85 -0.21 -0.03 2.96 0.62 0.01 118.68 123.03 2jmm s LEU 142 Ca 0.15 -1.15 -0.07 0.00 -0.22 0.00 0.00 54.13 52.85 2jmm s LEU 142 Cb -0.10 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 2jmm s LEU 142 CO 0.07 -0.16 0.05 -0.44 -1.32 0.00 0.00 176.35 174.54 2jmm s SER 143 N 1.25 5.24 0.00 3.68 0.01 0.79 -0.38 113.70 124.28 2jmm s SER 143 Ca -0.05 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.14 2jmm s SER 143 Cb -0.18 -1.91 -0.01 0.00 0.21 0.00 0.00 66.02 64.13 2jmm s SER 143 CO -0.07 0.07 -0.10 -1.48 0.41 0.00 0.00 173.24 172.07 2jmm s LEU 144 N 0.98 2.05 0.00 2.44 0.05 0.60 -0.04 118.68 124.75 2jmm s LEU 144 Ca 0.03 -0.22 0.00 0.00 0.05 0.00 0.00 54.13 53.99 2jmm s LEU 144 Cb -0.14 -0.48 0.00 0.00 -2.05 0.00 0.00 46.19 43.52 2jmm s LEU 144 CO 0.03 0.09 0.00 0.61 -0.55 0.00 0.00 176.35 176.53 2jmm n GLY 145 N 2.68 -0.73 3.13 -3.48 0.00 0.55 0.15 105.19 107.50 2jmm n GLY 145 Ca -0.14 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 2jmm n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jmm s VAL 146 N -3.00 1.22 -0.05 1.61 1.01 -0.46 -0.29 120.40 120.44 2jmm s VAL 146 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.35 2jmm s VAL 146 Cb 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2jmm s VAL 146 CO 0.00 0.34 -0.17 -0.94 0.00 0.00 0.00 175.10 174.33 2jmm s SER 147 N -0.38 3.74 -0.10 3.32 1.04 0.31 -1.02 113.70 120.61 2jmm s SER 147 Ca 0.06 -0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 2jmm s SER 147 Cb -0.06 -0.85 -0.03 0.00 0.10 0.00 0.00 66.02 65.19 2jmm s SER 147 CO -0.01 0.31 -0.09 -0.47 0.98 0.00 0.00 173.24 173.97 2jmm s TYR 148 N -0.51 2.89 -0.13 5.02 6.14 -0.37 -0.82 117.35 129.57 2jmm s TYR 148 Ca 0.07 -0.24 -0.29 0.00 0.64 0.00 0.00 57.07 57.25 2jmm s TYR 148 Cb -0.11 -1.79 -0.01 0.00 0.42 0.00 0.00 41.96 40.46 2jmm s TYR 148 CO 0.01 0.10 1.07 0.50 0.64 0.00 0.00 175.55 177.86 2jmm s ARG 149 N -0.25 4.36 0.00 4.97 3.52 -1.25 -0.20 118.95 130.11 2jmm s ARG 149 Ca 0.03 1.45 0.00 0.00 -0.13 0.00 0.00 55.73 57.08 2jmm s ARG 149 Cb -0.13 -3.58 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 2jmm s ARG 149 CO 0.03 -0.43 0.57 0.34 -0.81 0.00 0.00 175.30 175.00 2jmm n PHE 150 N 5.41 0.00 0.00 5.12 7.35 -0.86 -4.73 117.46 129.76 2jmm n PHE 150 Ca 0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 2jmm n PHE 150 Cb 0.47 -0.19 0.00 0.00 0.35 0.00 0.00 39.48 40.11 2jmm n PHE 150 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jmm n GLY 151 N -0.94 2.69 3.56 7.13 0.00 -1.26 -3.39 105.19 112.98 2jmm n GLY 151 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 2jmm n GLY 151 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jmm s GLN 152 N 0.00 2.81 0.00 1.61 1.11 -1.26 -4.96 119.66 118.97 2jmm s GLN 152 Ca 0.00 -0.60 0.00 0.00 0.01 0.00 0.00 55.36 54.77 2jmm s GLN 152 Cb 0.00 -5.16 0.00 0.00 -1.01 0.00 0.00 33.01 26.84 2jmm s GLN 152 CO 0.00 -3.16 0.00 0.41 0.01 0.00 0.00 175.29 172.55 2jmm n GLY 153 N 6.72 -1.58 3.57 3.09 0.00 -1.22 -4.89 105.19 110.88 2jmm n GLY 153 Ca 0.39 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 2jmm n GLY 153 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jmm s GLU 154 N 0.00 2.54 -1.15 1.61 2.56 -1.26 -4.90 118.70 118.10 2jmm s GLU 154 Ca 0.00 -0.84 -0.21 0.00 0.00 0.00 0.00 54.97 53.92 2jmm s GLU 154 Cb 0.00 -5.18 0.03 0.00 2.00 0.00 0.00 34.13 30.99 2jmm s GLU 154 CO 0.00 -3.72 1.68 0.00 -0.56 0.00 0.00 175.26 172.66 2jmm s ALA 155 N 10.56 2.77 -0.77 6.30 0.00 -1.26 -5.31 121.76 134.05 2jmm s ALA 155 Ca 0.69 -2.46 0.06 0.00 0.00 0.00 0.00 51.96 50.25 2jmm s ALA 155 Cb -0.03 -4.60 0.05 0.00 0.00 0.00 0.00 23.12 18.54 2jmm s ALA 155 CO 0.08 -3.79 0.70 0.00 0.00 0.00 0.00 175.76 172.74