#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmm n PRO 2 N 0.00 0.93 -4.22 2.12 -0.04 -1.26 -4.81 135.00 127.72 2jmm n PRO 2 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 2jmm n PRO 2 Cb 0.00 -1.04 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 2jmm n PRO 2 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2jmm s LYS 3 N 0.09 0.75 -0.08 0.54 2.20 -1.26 -4.78 119.74 117.20 2jmm s LYS 3 Ca 0.00 -0.73 -0.05 0.00 -0.36 0.00 0.00 55.97 54.83 2jmm s LYS 3 Cb 0.00 -0.70 0.02 0.00 -1.51 0.00 0.00 37.83 35.64 2jmm s LYS 3 CO 0.00 0.16 0.09 -0.25 -0.36 0.00 0.00 175.35 175.00 2jmm n ASP 4 N 1.79 -1.53 -3.47 1.43 8.00 -1.22 -4.68 116.55 116.87 2jmm n ASP 4 Ca -0.19 0.53 -0.18 0.00 0.71 0.00 0.00 54.79 55.66 2jmm n ASP 4 Cb 0.55 -2.68 0.09 0.00 -0.02 0.00 0.00 41.12 39.05 2jmm n ASP 4 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jmm n ASN 5 N 0.64 -2.72 -4.55 -2.24 3.02 -0.37 -4.94 115.26 104.09 2jmm n ASN 5 Ca -0.16 -0.62 -0.24 0.00 -0.03 0.00 0.00 54.58 53.53 2jmm n ASN 5 Cb 0.24 -5.06 -0.09 0.00 -0.61 0.00 0.00 39.78 34.27 2jmm n ASN 5 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2jmm s THR 6 N -3.37 2.97 -0.01 3.41 -4.23 -0.58 -4.95 115.64 108.90 2jmm s THR 6 Ca 0.10 -2.07 -0.13 0.00 -1.18 0.00 0.00 61.69 58.41 2jmm s THR 6 Cb -0.04 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.19 2jmm s THR 6 CO 0.73 -0.33 0.37 0.86 -0.54 0.00 0.00 174.62 175.72 2jmm s TRP 7 N -2.26 3.70 -0.33 3.99 -0.11 -1.26 -0.01 118.94 122.65 2jmm s TRP 7 Ca 0.29 0.92 -0.01 0.00 1.22 0.00 0.00 56.10 58.52 2jmm s TRP 7 Cb -0.06 -2.23 0.07 0.00 -1.50 0.00 0.00 33.47 29.75 2jmm s TRP 7 CO 0.17 0.65 0.06 -0.47 -4.62 0.00 0.00 176.95 172.73 2jmm s TYR 8 N -1.10 3.42 -0.17 5.86 5.04 0.24 -0.33 117.35 130.31 2jmm s TYR 8 Ca 0.23 -2.20 0.01 0.00 -2.44 0.00 0.00 57.07 52.67 2jmm s TYR 8 Cb -0.16 -2.52 0.03 0.00 0.35 0.00 0.00 41.96 39.66 2jmm s TYR 8 CO 0.13 -0.88 -0.13 0.99 -1.34 0.00 0.00 175.55 174.32 2jmm s THR 9 N 1.17 1.61 0.12 4.34 2.01 -0.67 -0.53 115.64 123.68 2jmm s THR 9 Ca 0.00 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.15 2jmm s THR 9 Cb -0.21 -1.57 -0.00 0.00 0.01 0.00 0.00 72.50 70.74 2jmm s THR 9 CO -0.03 0.36 0.24 -0.83 -0.69 0.00 0.00 174.62 173.67 2jmm s GLY 10 N 1.45 0.20 -0.05 4.40 0.00 0.72 0.22 107.32 114.26 2jmm s GLY 10 Ca 0.03 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.11 2jmm s GLY 10 CO -0.10 -0.78 -0.16 0.00 0.00 0.00 0.00 173.10 172.06 2jmm s ALA 11 N -3.89 1.46 -0.01 3.20 0.00 0.06 0.12 121.76 122.69 2jmm s ALA 11 Ca 0.09 -0.62 -0.18 0.00 0.00 0.00 0.00 51.96 51.25 2jmm s ALA 11 Cb 0.04 -0.53 0.03 0.00 0.00 0.00 0.00 23.12 22.67 2jmm s ALA 11 CO -0.07 0.23 0.38 -1.59 0.00 0.00 0.00 175.76 174.71 2jmm s LYS 12 N 0.22 0.77 -0.07 0.00 -2.85 -0.28 -1.25 119.74 116.28 2jmm s LYS 12 Ca -0.07 -0.16 0.05 0.00 -1.00 0.00 0.00 55.97 54.79 2jmm s LYS 12 Cb -0.13 0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 35.98 2jmm s LYS 12 CO 0.03 -0.23 -0.24 -0.48 0.10 0.00 0.00 175.35 174.54 2jmm s LEU 13 N -1.42 2.05 0.12 2.77 0.05 0.41 -0.62 118.68 122.04 2jmm s LEU 13 Ca -0.12 -0.51 0.09 0.00 0.05 0.00 0.00 54.13 53.64 2jmm s LEU 13 Cb -0.04 -1.34 -0.04 0.00 -2.05 0.00 0.00 46.19 42.73 2jmm s LEU 13 CO 0.04 0.20 -0.21 -0.83 -0.55 0.00 0.00 176.35 175.01 2jmm s GLY 14 N 0.04 1.30 -0.01 -3.48 0.00 0.18 -0.32 107.32 105.03 2jmm s GLY 14 Ca -0.09 -1.32 0.06 0.00 0.00 0.00 0.00 44.72 43.37 2jmm s GLY 14 CO 0.05 -1.33 -0.18 -0.98 0.00 0.00 0.00 173.10 170.66 2jmm s TRP 15 N -1.33 1.63 0.02 1.90 0.51 -0.36 -0.46 118.94 120.84 2jmm s TRP 15 Ca 0.09 -0.32 0.05 0.00 -2.12 0.00 0.00 56.10 53.80 2jmm s TRP 15 Cb -0.09 -1.04 -0.03 0.00 -0.81 0.00 0.00 33.47 31.50 2jmm s TRP 15 CO 0.05 -0.01 -0.12 -1.54 -0.51 0.00 0.00 176.95 174.82 2jmm s SER 16 N -0.54 4.26 -0.09 2.95 1.04 -1.26 -0.42 113.70 119.64 2jmm s SER 16 Ca 0.07 -0.26 -0.35 0.00 0.48 0.00 0.00 55.95 55.89 2jmm s SER 16 Cb -0.07 -0.88 -0.12 0.00 0.10 0.00 0.00 66.02 65.05 2jmm s SER 16 CO -0.00 0.28 1.86 1.67 0.98 0.00 0.00 173.24 178.02 2jmm n GLN 17 N 1.60 2.10 -3.63 4.02 7.27 0.27 -2.92 117.38 126.09 2jmm n GLN 17 Ca -0.16 0.77 -0.24 0.00 0.07 0.00 0.00 57.00 57.44 2jmm n GLN 17 Cb 0.52 -2.60 0.07 0.00 2.41 0.00 0.00 30.24 30.65 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 6.42 -2.69 -1.94 3.69 9.36 -1.26 -4.87 117.16 125.87 2jmm n TYR 18 Ca 0.23 0.99 -0.24 0.00 3.32 0.00 0.00 57.90 62.19 2jmm n TYR 18 Cb 0.28 -4.88 -0.08 0.00 -0.63 0.00 0.00 39.34 34.03 2jmm n TYR 18 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2jmm s SER 19 N -3.49 4.58 0.30 2.98 1.04 -1.15 -4.76 113.70 113.21 2jmm s SER 19 Ca 0.51 -1.44 -0.01 0.00 0.48 0.00 0.00 55.95 55.48 2jmm s SER 19 Cb -0.23 -2.59 0.46 0.00 0.10 0.00 0.00 66.02 63.76 2jmm s SER 19 CO 0.75 -3.55 1.91 0.03 0.98 0.00 0.00 173.24 173.36 2jmm h ARG 20 N 10.30 0.92 -6.66 4.02 3.08 -1.93 -3.44 114.38 120.67 2jmm h ARG 20 Ca 0.16 -0.11 -0.50 0.00 0.07 0.00 0.00 59.98 59.59 2jmm h ARG 20 Cb 0.96 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 2jmm h ARG 20 CO 1.16 0.70 0.23 -1.21 -1.07 0.00 0.00 179.97 179.79 2jmm s GLU 21 N -5.56 4.56 -0.99 0.04 0.41 -1.26 -4.98 118.70 110.92 2jmm s GLU 21 Ca -0.10 1.20 -0.24 0.00 -0.41 0.00 0.00 54.97 55.42 2jmm s GLU 21 Cb 0.17 -3.08 -0.05 0.00 -1.78 0.00 0.00 34.13 29.39 2jmm s GLU 21 CO 0.79 0.46 1.92 1.21 -0.49 0.00 0.00 175.26 179.15 2jmm s ASN 22 N -1.37 5.18 -0.06 -0.19 3.84 -1.26 -4.87 114.94 116.21 2jmm s ASN 22 Ca 0.42 -1.01 -0.03 0.00 0.21 0.00 0.00 52.86 52.45 2jmm s ASN 22 Cb -0.21 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 37.96 2jmm s ASN 22 CO 0.26 -2.77 0.13 -1.58 -2.79 0.00 0.00 177.10 170.35 2jmm s GLN 23 N 6.74 0.08 -0.08 0.43 -0.44 -1.26 -5.15 119.66 119.97 2jmm s GLN 23 Ca 0.68 0.36 0.04 0.00 -2.50 0.00 0.00 55.36 53.95 2jmm s GLN 23 Cb -0.05 -0.19 -0.01 0.00 -1.64 0.00 0.00 33.01 31.12 2jmm s GLN 23 CO 0.03 -0.17 -0.23 -0.51 0.50 0.00 0.00 175.29 174.91 2jmm s LEU 24 N 1.23 2.17 0.00 3.68 1.02 -1.26 -4.90 118.68 120.61 2jmm s LEU 24 Ca -0.09 -0.50 -0.02 0.00 0.02 0.00 0.00 54.13 53.54 2jmm s LEU 24 Cb -0.12 -1.42 -0.11 0.00 0.02 0.00 0.00 46.19 44.56 2jmm s LEU 24 CO -0.06 0.20 2.05 0.61 0.02 0.00 0.00 176.35 179.18 2jmm n GLY 25 N 3.23 2.09 3.56 -3.19 0.00 0.40 -4.83 105.19 106.45 2jmm n GLY 25 Ca -0.18 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 2jmm n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmm s ALA 26 N 1.38 2.07 -0.03 4.61 0.00 -1.26 -0.65 121.76 127.89 2jmm s ALA 26 Ca 0.27 -1.47 0.07 0.00 0.00 0.00 0.00 51.96 50.84 2jmm s ALA 26 Cb 0.13 -4.47 -0.02 0.00 0.00 0.00 0.00 23.12 18.76 2jmm s ALA 26 CO 0.00 -4.25 -0.25 0.20 0.00 0.00 0.00 175.76 171.46 2jmm s GLY 27 N 7.06 1.30 -0.26 0.00 0.00 0.21 -4.26 107.32 111.38 2jmm s GLY 27 Ca 0.62 -1.10 -0.09 0.00 0.00 0.00 0.00 44.72 44.14 2jmm s GLY 27 CO 0.03 -0.89 0.14 0.00 0.00 0.00 0.00 173.10 172.38 2jmm s ALA 28 N -0.58 3.40 -0.29 3.20 0.00 0.36 -1.12 121.76 126.73 2jmm s ALA 28 Ca 0.09 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 2jmm s ALA 28 Cb -0.10 -2.28 0.03 0.00 0.00 0.00 0.00 23.12 20.76 2jmm s ALA 28 CO -0.00 -0.44 0.02 -0.06 0.00 0.00 0.00 175.76 175.28 2jmm s PHE 29 N 1.54 3.16 0.06 0.00 0.40 0.12 -0.09 117.98 123.17 2jmm s PHE 29 Ca 0.07 -1.38 0.07 0.00 -0.60 0.00 0.00 56.93 55.08 2jmm s PHE 29 Cb -0.15 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 2jmm s PHE 29 CO 0.07 -0.69 -0.20 0.20 0.70 0.00 0.00 175.22 175.30 2jmm s GLY 30 N 1.39 1.14 0.00 4.36 0.00 0.51 -0.20 107.32 114.52 2jmm s GLY 30 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2jmm s GLY 30 CO -0.00 -1.06 0.00 0.61 0.00 0.00 0.00 173.10 172.65 2jmm n GLY 31 N 1.61 -0.63 2.93 0.20 0.00 0.31 -0.24 105.19 109.38 2jmm n GLY 31 Ca -0.18 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 2jmm n GLY 31 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jmm s TYR 32 N -3.55 0.00 -0.41 1.61 5.04 -0.21 -0.59 117.35 119.24 2jmm s TYR 32 Ca 0.00 0.00 0.01 0.00 -2.44 0.00 0.00 57.07 54.64 2jmm s TYR 32 Cb 0.00 -0.02 0.11 0.00 0.35 0.00 0.00 41.96 42.40 2jmm s TYR 32 CO 0.00 -0.06 0.16 -1.14 -1.34 0.00 0.00 175.55 173.17 2jmm s GLN 33 N -0.25 1.80 0.05 4.97 2.00 0.98 -0.34 119.66 128.88 2jmm s GLN 33 Ca -0.03 -1.99 -0.13 0.00 -2.00 0.00 0.00 55.36 51.21 2jmm s GLN 33 Cb -0.02 -3.39 -0.33 0.00 0.80 0.00 0.00 33.01 30.07 2jmm s GLN 33 CO -0.00 -1.02 1.05 -0.39 -0.50 0.00 0.00 175.29 174.42 2jmm h VAL 34 N 6.29 1.34 -4.09 1.34 -1.51 -1.82 -0.69 116.25 117.11 2jmm h VAL 34 Ca -0.07 -2.77 -0.15 0.00 -1.23 0.00 0.00 66.70 62.48 2jmm h VAL 34 Cb 1.01 2.98 -0.18 0.00 -2.13 0.00 0.00 31.29 32.97 2jmm h VAL 34 CO 0.62 0.82 -0.69 0.20 -1.23 0.00 0.00 177.57 177.29 2jmm s ASN 35 N -7.47 0.35 -1.02 4.19 -0.87 -1.11 -2.18 114.94 106.83 2jmm s ASN 35 Ca -0.08 -0.71 -0.15 0.00 -1.57 0.00 0.00 52.86 50.35 2jmm s ASN 35 Cb 0.05 0.14 -0.09 0.00 -0.02 0.00 0.00 41.25 41.34 2jmm s ASN 35 CO 0.93 -0.43 2.12 -0.81 -2.57 0.00 0.00 177.10 176.35 2jmm n PRO 36 N 0.97 2.11 0.00 -0.60 -0.04 -1.26 -3.43 135.00 132.75 2jmm n PRO 36 Ca -0.20 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.33 2jmm n PRO 36 Cb 0.58 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 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 6.04 -0.06 -4.71 0.54 4.19 -1.24 -4.97 117.16 116.96 2jmm n TYR 37 Ca 0.51 0.00 -0.27 0.00 3.31 0.00 0.00 57.90 61.45 2jmm n TYR 37 Cb 0.32 0.01 -0.14 0.00 0.49 0.00 0.00 39.34 40.02 2jmm n TYR 37 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 2jmm s VAL 38 N -0.10 1.89 0.37 2.97 -7.23 -1.22 -0.12 120.40 116.95 2jmm s VAL 38 Ca 0.00 -1.32 -0.03 0.00 -1.81 0.00 0.00 61.98 58.82 2jmm s VAL 38 Cb 0.00 -1.64 0.01 0.00 0.56 0.00 0.00 36.38 35.32 2jmm s VAL 38 CO 0.00 0.25 0.53 0.61 -0.31 0.00 0.00 175.10 176.18 2jmm n GLY 39 N 1.73 1.99 3.23 2.32 0.00 0.24 -2.76 105.19 111.94 2jmm n GLY 39 Ca -0.17 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.79 2.38 -0.07 1.61 0.08 0.54 -0.32 117.98 119.41 2jmm s PHE 40 Ca 0.29 -0.79 0.02 0.00 0.12 0.00 0.00 56.93 56.57 2jmm s PHE 40 Cb -0.01 -1.57 0.02 0.00 -0.57 0.00 0.00 43.02 40.88 2jmm s PHE 40 CO 0.21 -0.27 -0.11 -2.00 -0.10 0.00 0.00 175.22 172.95 2jmm s GLU 41 N 0.02 1.58 -0.02 0.44 2.12 0.33 -1.05 118.70 122.12 2jmm s GLU 41 Ca -0.08 -0.36 0.06 0.00 0.36 0.00 0.00 54.97 54.95 2jmm s GLU 41 Cb -0.15 -1.36 -0.02 0.00 0.26 0.00 0.00 34.13 32.87 2jmm s GLU 41 CO 0.05 -0.02 -0.22 -1.64 -0.54 0.00 0.00 175.26 172.89 2jmm s MET 42 N 0.81 1.82 -0.22 4.30 -1.94 0.67 -0.49 119.30 124.26 2jmm s MET 42 Ca -0.12 -0.78 0.02 0.00 -1.71 0.00 0.00 55.69 53.10 2jmm s MET 42 Cb -0.15 -1.73 0.04 0.00 2.01 0.00 0.00 34.83 35.00 2jmm s MET 42 CO 0.02 0.45 -0.12 0.20 -0.01 0.00 0.00 175.02 175.55 2jmm s GLY 43 N -0.45 1.42 -0.36 -0.03 0.00 0.37 -0.36 107.32 107.90 2jmm s GLY 43 Ca 0.07 -1.39 -0.09 0.00 0.00 0.00 0.00 44.72 43.31 2jmm s GLY 43 CO -0.00 0.59 0.17 -0.47 0.00 0.00 0.00 173.10 173.38 2jmm s TYR 44 N 1.28 3.26 -0.23 1.90 5.04 0.87 -0.23 117.35 129.25 2jmm s TYR 44 Ca -0.03 -1.23 -0.03 0.00 -2.44 0.00 0.00 57.07 53.34 2jmm s TYR 44 Cb -0.17 -2.41 0.01 0.00 0.35 0.00 0.00 41.96 39.73 2jmm s TYR 44 CO -0.08 -0.71 -0.06 0.34 -1.34 0.00 0.00 175.55 173.70 2jmm s ASP 45 N 1.53 4.19 -0.21 4.32 -1.08 0.14 -0.48 116.67 125.07 2jmm s ASP 45 Ca 0.00 -0.57 -0.02 0.00 -0.52 0.00 0.00 52.55 51.44 2jmm s ASP 45 Cb -0.20 -1.69 0.01 0.00 -1.46 0.00 0.00 42.92 39.58 2jmm s ASP 45 CO 0.04 -0.06 -0.09 0.86 0.52 0.00 0.00 175.17 176.45 2jmm s TRP 46 N 1.41 2.92 -1.35 -5.34 -0.00 -1.26 -0.29 118.94 115.04 2jmm s TRP 46 Ca 0.04 -1.25 -0.15 0.00 -0.00 0.00 0.00 56.10 54.74 2jmm s TRP 46 Cb -0.15 -2.04 0.08 0.00 -0.00 0.00 0.00 33.47 31.35 2jmm s TRP 46 CO -0.05 -0.66 1.92 -0.11 -0.00 0.00 0.00 176.95 178.06 2jmm n LEU 47 N 4.72 5.88 -2.77 5.86 7.94 -0.07 -4.84 117.00 133.72 2jmm n LEU 47 Ca -0.19 -4.12 -0.19 0.00 -1.11 0.00 0.00 56.01 50.40 2jmm n LEU 47 Cb 0.50 -1.68 -0.06 0.00 0.53 0.00 0.00 43.42 42.71 2jmm n LEU 47 CO 0.28 0.69 2.11 0.61 -1.11 0.00 0.00 177.39 179.96 2jmm n GLY 48 N 4.54 3.02 1.32 -3.96 0.00 -1.26 -3.94 105.19 104.92 2jmm n GLY 48 Ca 0.48 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2jmm n GLY 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jmm n ARG 49 N 3.45 0.00 -1.95 1.61 0.00 -1.26 -5.07 116.66 113.44 2jmm n ARG 49 Ca 0.45 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.92 2jmm n ARG 49 Cb 0.36 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.85 2jmm n ARG 49 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2jmm s MET 50 N -0.94 3.18 0.00 -0.14 -1.94 -1.25 -4.92 119.30 113.29 2jmm s MET 50 Ca 0.00 2.01 0.00 0.00 -1.71 0.00 0.00 55.69 55.99 2jmm s MET 50 Cb 0.00 -2.17 0.00 0.00 2.01 0.00 0.00 34.83 34.67 2jmm s MET 50 CO 0.00 -1.09 0.54 -0.35 -0.01 0.00 0.00 175.02 174.12 2jmm n PRO 51 N -1.13 0.51 -4.39 2.03 -0.04 -1.26 -4.66 135.00 126.06 2jmm n PRO 51 Ca 0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 2jmm n PRO 51 Cb 0.47 -1.24 -0.15 0.00 -0.04 0.00 0.00 33.50 32.54 2jmm n PRO 51 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jmm s ARG 52 N 0.51 0.80 -1.21 0.54 3.00 -1.26 -5.07 118.95 116.26 2jmm s ARG 52 Ca 0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 55.73 55.21 2jmm s ARG 52 Cb 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 34.95 34.16 2jmm s ARG 52 CO 0.00 0.19 1.92 1.63 0.00 0.00 0.00 175.30 179.04 2jmm n LYS 53 N 2.93 2.40 -2.38 3.54 5.02 -1.26 -4.84 118.16 123.56 2jmm n LYS 53 Ca -0.14 -2.67 -0.37 0.00 -2.02 0.00 0.00 58.31 53.10 2jmm n LYS 53 Cb 0.56 -3.42 -0.03 0.00 -0.02 0.00 0.00 35.03 32.13 2jmm n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jmm s ALA 54 N 6.01 2.61 -0.55 7.82 0.00 -1.26 -4.83 121.76 131.56 2jmm s ALA 54 Ca 0.57 -2.42 -0.19 0.00 0.00 0.00 0.00 51.96 49.92 2jmm s ALA 54 Cb 0.07 -4.62 0.08 0.00 0.00 0.00 0.00 23.12 18.64 2jmm s ALA 54 CO 0.07 -4.03 0.68 -0.65 0.00 0.00 0.00 175.76 171.82 2jmm s GLN 55 N 5.28 3.10 -0.47 0.00 -0.21 -1.26 -0.89 119.66 125.20 2jmm s GLN 55 Ca 0.58 -1.04 -0.13 0.00 0.02 0.00 0.00 55.36 54.79 2jmm s GLN 55 Cb 0.01 -4.17 0.10 0.00 1.00 0.00 0.00 33.01 29.94 2jmm s GLN 55 CO 0.04 -1.38 0.38 0.20 -2.12 0.00 0.00 175.29 172.41 2jmm s GLY 56 N 3.10 2.04 -0.09 3.09 0.00 0.60 -0.52 107.32 115.54 2jmm s GLY 56 Ca 0.14 -2.29 0.04 0.00 0.00 0.00 0.00 44.72 42.61 2jmm s GLY 56 CO 0.10 1.08 -0.21 0.14 0.00 0.00 0.00 173.10 174.21 2jmm s VAL 57 N 1.53 2.42 -0.08 1.40 1.01 0.38 -0.69 120.40 126.38 2jmm s VAL 57 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2jmm s VAL 57 Cb -0.26 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 2jmm s VAL 57 CO 0.03 0.56 -0.05 0.00 0.00 0.00 0.00 175.10 175.64 2jmm s GLN 58 N 0.03 2.84 -0.25 2.72 -2.07 0.68 -0.29 119.66 123.31 2jmm s GLN 58 Ca -0.08 -0.52 0.03 0.00 -1.82 0.00 0.00 55.36 52.97 2jmm s GLN 58 Cb -0.15 -2.64 0.06 0.00 -1.09 0.00 0.00 33.01 29.18 2jmm s GLN 58 CO 0.05 0.65 -0.12 -0.48 -1.32 0.00 0.00 175.29 174.08 2jmm s LEU 59 N -0.77 3.26 0.04 2.60 2.34 0.47 -0.48 118.68 126.14 2jmm s LEU 59 Ca 0.12 -1.31 0.04 0.00 0.06 0.00 0.00 54.13 53.04 2jmm s LEU 59 Cb -0.11 -1.52 -0.02 0.00 -0.56 0.00 0.00 46.19 43.97 2jmm s LEU 59 CO 0.02 -0.17 -0.13 0.42 -1.06 0.00 0.00 176.35 175.43 2jmm s THR 60 N 1.14 1.00 -0.21 5.48 -4.23 0.35 -1.15 115.64 118.01 2jmm s THR 60 Ca -0.07 -1.02 -0.10 0.00 -1.18 0.00 0.00 61.69 59.32 2jmm s THR 60 Cb -0.19 -0.93 -0.05 0.00 1.34 0.00 0.00 72.50 72.67 2jmm s THR 60 CO -0.06 -0.08 0.13 0.00 -0.54 0.00 0.00 174.62 174.07 2jmm s ALA 61 N -0.95 3.64 -0.08 3.99 0.00 0.45 -0.51 121.76 128.29 2jmm s ALA 61 Ca -0.01 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2jmm s ALA 61 Cb -0.08 -2.20 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 2jmm s ALA 61 CO 0.01 0.05 -0.13 -1.59 0.00 0.00 0.00 175.76 174.10 2jmm s LYS 62 N 0.59 2.85 -0.38 0.00 -2.85 0.56 -0.84 119.74 119.66 2jmm s LYS 62 Ca 0.07 -0.67 -0.10 0.00 -1.00 0.00 0.00 55.97 54.28 2jmm s LYS 62 Cb -0.12 -2.50 0.05 0.00 -2.06 0.00 0.00 37.83 33.20 2jmm s LYS 62 CO 0.00 0.49 0.21 -1.17 0.10 0.00 0.00 175.35 174.98 2jmm s LEU 63 N -0.37 4.80 -0.63 2.77 0.20 0.65 -0.60 118.68 125.51 2jmm s LEU 63 Ca 0.04 -1.18 -0.17 0.00 0.69 0.00 0.00 54.13 53.50 2jmm s LEU 63 Cb -0.12 -1.99 0.13 0.00 -0.43 0.00 0.00 46.19 43.78 2jmm s LEU 63 CO 0.02 -0.43 0.67 -0.83 -0.29 0.00 0.00 176.35 175.50 2jmm s GLY 64 N 1.71 2.00 -0.05 7.98 0.00 0.83 -1.05 107.32 118.75 2jmm s GLY 64 Ca 0.02 -2.51 0.05 0.00 0.00 0.00 0.00 44.72 42.28 2jmm s GLY 64 CO 0.05 1.44 -0.20 -0.47 0.00 0.00 0.00 173.10 173.91 2jmm s TYR 65 N 1.99 2.54 0.26 1.90 5.04 0.89 -3.62 117.35 126.35 2jmm s TYR 65 Ca 0.11 -0.40 -0.03 0.00 -2.44 0.00 0.00 57.07 54.30 2jmm s TYR 65 Cb -0.23 -1.60 0.32 0.00 0.35 0.00 0.00 41.96 40.80 2jmm s TYR 65 CO 0.02 -0.00 1.79 -1.00 -1.34 0.00 0.00 175.55 175.02 2jmm h PRO 66 N 5.65 0.90 -4.53 4.97 0.13 -1.91 -0.59 132.00 136.62 2jmm h PRO 66 Ca -0.41 -0.20 -0.27 0.00 -0.87 0.00 0.00 66.00 64.25 2jmm h PRO 66 Cb 1.15 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.12 2jmm h PRO 66 CO 0.49 0.82 -0.38 1.17 -0.23 0.00 0.00 178.00 179.87 2jmm n LYS 67 N -4.25 -2.75 -3.81 0.86 3.00 -1.26 -1.71 118.16 108.24 2jmm n LYS 67 Ca 0.04 0.50 -0.24 0.00 -0.00 0.00 0.00 58.31 58.61 2jmm n LYS 67 Cb 0.25 -5.13 0.02 0.00 0.00 0.00 0.00 35.03 30.16 2jmm n LYS 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2jmm n LEU 68 N -3.12 -2.78 -4.57 3.14 7.99 -1.26 -4.88 117.00 111.51 2jmm n LEU 68 Ca -0.09 -0.86 -0.18 0.00 -0.01 0.00 0.00 56.01 54.87 2jmm n LEU 68 Cb 0.58 -2.54 -0.08 0.00 -0.11 0.00 0.00 43.42 41.27 2jmm n LEU 68 CO 0.28 0.42 1.24 -0.83 -1.51 0.00 0.00 177.39 176.99 2jmm s GLY 69 N -4.14 -0.62 0.00 -0.72 0.00 -0.69 -4.84 107.32 96.31 2jmm s GLY 69 Ca 0.15 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2jmm s GLY 69 CO 0.83 4.03 0.36 -0.37 0.00 0.00 0.00 173.10 177.95 2jmm n THR 70 N 8.58 0.33 0.02 0.90 5.66 -1.26 -2.99 114.28 125.52 2jmm n THR 70 Ca 0.43 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.43 2jmm n THR 70 Cb 0.46 -0.62 0.00 0.00 -1.55 0.00 0.00 70.33 68.62 2jmm n THR 70 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2jmm n ASP 71 N 0.72 -0.41 -2.87 1.09 8.00 -1.26 -5.07 116.55 116.75 2jmm n ASP 71 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2jmm n ASP 71 Cb 0.18 0.63 0.01 0.00 -0.02 0.00 0.00 41.12 41.92 2jmm n ASP 71 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jmm s ASP 72 N -1.18 -0.75 -0.24 -2.24 -1.08 -1.16 -5.15 116.67 104.87 2jmm s ASP 72 Ca 0.00 -0.51 -0.25 0.00 -0.52 0.00 0.00 52.55 51.27 2jmm s ASP 72 Cb 0.00 0.97 0.07 0.00 -1.46 0.00 0.00 42.92 42.50 2jmm s ASP 72 CO 0.00 -0.07 0.69 -0.22 0.52 0.00 0.00 175.17 176.09 2jmm s LEU 73 N 1.68 -0.65 0.03 -1.34 2.96 -1.23 -4.72 118.68 115.41 2jmm s LEU 73 Ca 0.18 1.32 0.01 0.00 -0.22 0.00 0.00 54.13 55.42 2jmm s LEU 73 Cb 0.02 2.40 -0.02 0.00 0.50 0.00 0.00 46.19 49.09 2jmm s LEU 73 CO -0.11 -0.28 -0.05 -1.81 -1.32 0.00 0.00 176.35 172.78 2jmm s ASP 74 N 0.20 0.54 -0.07 3.68 1.11 -0.13 -3.75 116.67 118.25 2jmm s ASP 74 Ca -0.01 -0.55 -0.00 0.00 0.18 0.00 0.00 52.55 52.17 2jmm s ASP 74 Cb -0.04 0.07 -0.03 0.00 1.07 0.00 0.00 42.92 43.99 2jmm s ASP 74 CO 0.02 -0.27 -0.03 -0.51 1.18 0.00 0.00 175.17 175.56 2jmm s ILE 75 N -1.53 4.01 -0.09 0.77 2.07 -0.23 -0.38 121.20 125.82 2jmm s ILE 75 Ca -0.12 -0.37 0.03 0.00 -1.41 0.00 0.00 60.65 58.77 2jmm s ILE 75 Cb -0.09 -2.67 0.01 0.00 0.13 0.00 0.00 42.46 39.84 2jmm s ILE 75 CO -0.01 0.60 -0.16 -0.72 -1.91 0.00 0.00 174.94 172.74 2jmm s TYR 76 N -0.85 1.86 -0.19 3.50 1.13 0.10 -0.07 117.35 122.82 2jmm s TYR 76 Ca 0.13 -0.76 -0.02 0.00 -1.41 0.00 0.00 57.07 55.00 2jmm s TYR 76 Cb -0.11 -1.32 -0.01 0.00 -1.10 0.00 0.00 41.96 39.42 2jmm s TYR 76 CO 0.02 -0.36 -0.09 0.99 -2.51 0.00 0.00 175.55 173.60 2jmm s THR 77 N 0.68 3.10 -0.15 -3.49 2.01 -0.21 -0.64 115.64 116.93 2jmm s THR 77 Ca -0.13 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.28 2jmm s THR 77 Cb -0.16 -2.37 0.01 0.00 0.01 0.00 0.00 72.50 69.99 2jmm s THR 77 CO 0.04 0.47 -0.20 0.00 -0.69 0.00 0.00 174.62 174.23 2jmm s ARG 78 N 1.16 2.91 -0.04 4.92 1.04 0.38 -0.25 118.95 129.07 2jmm s ARG 78 Ca 0.02 -0.81 0.06 0.00 -1.04 0.00 0.00 55.73 53.96 2jmm s ARG 78 Cb -0.14 -2.41 -0.01 0.00 -2.04 0.00 0.00 34.95 30.34 2jmm s ARG 78 CO -0.03 -0.09 -0.21 -0.51 -0.04 0.00 0.00 175.30 174.42 2jmm s LEU 79 N 1.01 2.01 0.00 -1.89 1.02 -0.02 -0.25 118.68 120.56 2jmm s LEU 79 Ca -0.03 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.70 2jmm s LEU 79 Cb -0.15 -1.17 0.00 0.00 0.02 0.00 0.00 46.19 44.90 2jmm s LEU 79 CO -0.06 0.22 0.00 0.61 0.02 0.00 0.00 176.35 177.15 2jmm n GLY 80 N 2.88 -0.78 3.12 -3.19 0.00 -0.28 -0.41 105.19 106.53 2jmm n GLY 80 Ca -0.17 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 2jmm n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jmm s GLY 81 N 0.00 0.73 -0.20 -0.02 0.00 -0.30 -0.62 107.32 106.91 2jmm s GLY 81 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 2jmm s GLY 81 CO 0.00 -0.68 -0.12 -3.16 0.00 0.00 0.00 173.10 169.13 2jmm s MET 82 N -0.86 3.18 -0.01 2.90 0.23 -1.14 -0.40 119.30 123.20 2jmm s MET 82 Ca 0.02 -0.73 0.07 0.00 -1.03 0.00 0.00 55.69 54.02 2jmm s MET 82 Cb -0.07 -2.78 -0.02 0.00 -1.53 0.00 0.00 34.83 30.44 2jmm s MET 82 CO 0.01 -0.20 -0.21 0.08 -2.03 0.00 0.00 175.02 172.67 2jmm s VAL 83 N 1.37 1.69 -0.04 5.16 1.01 0.60 -3.74 120.40 126.44 2jmm s VAL 83 Ca 0.05 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.10 2jmm s VAL 83 Cb -0.14 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 2jmm s VAL 83 CO -0.08 0.43 -0.14 -1.66 0.00 0.00 0.00 175.10 173.66 2jmm s TRP 84 N -0.55 2.72 0.00 5.22 -2.14 -1.26 -0.47 118.94 122.46 2jmm s TRP 84 Ca 0.08 -0.14 0.00 0.00 2.66 0.00 0.00 56.10 58.70 2jmm s TRP 84 Cb -0.08 -1.63 0.00 0.00 -3.10 0.00 0.00 33.47 28.66 2jmm s TRP 84 CO -0.00 0.21 0.00 0.54 -2.66 0.00 0.00 176.95 175.03 2jmm n ARG 85 N 2.24 0.00 0.00 3.25 1.74 0.32 -4.68 116.66 119.53 2jmm n ARG 85 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 2jmm n ARG 85 Cb 0.52 -0.65 0.00 0.00 -1.02 0.00 0.00 32.46 31.32 2jmm n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jmm n ALA 86 N 0.00 0.00 -3.37 7.54 0.00 -1.26 -4.46 120.51 118.96 2jmm n ALA 86 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2jmm n ALA 86 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 0.00 0.72 0.58 0.00 -1.08 -1.26 -0.46 116.67 115.17 2jmm s ASP 87 Ca 0.00 -0.18 -0.13 0.00 -0.52 0.00 0.00 52.55 51.72 2jmm s ASP 87 Cb 0.00 0.89 -0.06 0.00 -1.46 0.00 0.00 42.92 42.29 2jmm s ASP 87 CO 0.00 -0.33 1.01 0.28 0.52 0.00 0.00 175.17 176.65 2jmm s THR 88 N 2.48 4.63 0.15 1.71 -1.32 -0.58 -4.98 115.64 117.73 2jmm s THR 88 Ca 0.11 1.02 0.09 0.00 -1.21 0.00 0.00 61.69 61.70 2jmm s THR 88 Cb -0.14 -3.81 -0.04 0.00 -1.51 0.00 0.00 72.50 67.00 2jmm s THR 88 CO -0.22 -0.95 -0.17 -0.55 -2.21 0.00 0.00 174.62 170.52 2jmm s SER 89 N -3.71 3.91 0.00 8.08 0.15 -1.26 -4.53 113.70 116.35 2jmm s SER 89 Ca 0.57 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2jmm s SER 89 Cb -0.11 -0.54 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 2jmm s SER 89 CO 0.44 0.15 0.00 0.47 1.20 0.00 0.00 173.24 175.50 2jmm n ASP 90 N 0.52 0.00 -2.83 5.45 8.00 -1.26 -5.13 116.55 121.30 2jmm n ASP 90 Ca -0.14 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.34 2jmm n ASP 90 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2jmm n ASP 90 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2jmm n LYS 91 N -0.98 -2.87 -2.17 -1.24 4.81 -1.26 -4.86 118.16 109.60 2jmm n LYS 91 Ca 0.00 2.39 -0.41 0.00 -0.87 0.00 0.00 58.31 59.43 2jmm n LYS 91 Cb 0.00 -4.73 -0.01 0.00 0.02 0.00 0.00 35.03 30.30 2jmm n LYS 91 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2jmm n ASP 92 N 0.62 4.20 0.00 3.14 2.03 -1.26 -4.80 116.55 120.48 2jmm n ASP 92 Ca 0.01 -2.85 0.00 0.00 0.52 0.00 0.00 54.79 52.48 2jmm n ASP 92 Cb 0.16 -1.67 0.00 0.00 -0.72 0.00 0.00 41.12 38.88 2jmm n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jmm n GLY 93 N 5.05 0.98 3.64 0.27 0.00 -1.26 -4.70 105.19 109.16 2jmm n GLY 93 Ca 0.49 0.43 -0.03 0.00 0.00 0.00 0.00 46.02 46.91 2jmm n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmm s ASN 94 N -4.00 -0.04 0.00 1.61 2.20 -1.26 -5.18 114.94 108.27 2jmm s ASN 94 Ca 0.00 0.01 0.00 0.00 -0.94 0.00 0.00 52.86 51.93 2jmm s ASN 94 Cb 0.00 0.04 0.00 0.00 -2.00 0.00 0.00 41.25 39.29 2jmm s ASN 94 CO 0.00 -0.06 0.00 0.61 -2.94 0.00 0.00 177.10 174.71 2jmm n GLY 95 N 0.09 0.06 3.16 0.45 0.00 -1.26 -4.92 105.19 102.77 2jmm n GLY 95 Ca 0.03 -1.85 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.19 3.50 -0.11 1.61 2.02 -1.26 -5.03 117.35 117.89 2jmm s TYR 96 Ca 0.00 -2.48 0.03 0.00 -0.37 0.00 0.00 57.07 54.24 2jmm s TYR 96 Cb 0.00 -3.37 -0.01 0.00 -0.40 0.00 0.00 41.96 38.18 2jmm s TYR 96 CO 0.00 -0.89 -0.20 0.42 -1.57 0.00 0.00 175.55 173.31 2jmm s ILE 97 N 0.11 2.45 0.62 2.71 1.09 -1.26 -5.13 121.20 121.78 2jmm s ILE 97 Ca 0.16 -0.88 -0.18 0.00 -1.10 0.00 0.00 60.65 58.65 2jmm s ILE 97 Cb -0.18 -1.97 -0.02 0.00 -1.06 0.00 0.00 42.46 39.22 2jmm s ILE 97 CO -0.05 0.55 1.21 -0.55 -0.10 0.00 0.00 174.94 176.00 2jmm s SER 98 N 0.30 5.02 0.16 3.58 0.15 -1.26 -4.96 113.70 116.68 2jmm s SER 98 Ca -0.15 2.39 -0.31 0.00 0.70 0.00 0.00 55.95 58.58 2jmm s SER 98 Cb -0.17 -2.60 -0.09 0.00 -1.71 0.00 0.00 66.02 61.45 2jmm s SER 98 CO 0.07 -1.71 1.52 0.00 1.20 0.00 0.00 173.24 174.32 2jmm s ALA 99 N -1.65 3.72 -1.39 5.45 0.00 -1.26 -4.89 121.76 121.74 2jmm s ALA 99 Ca 0.77 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.92 2jmm s ALA 99 Cb -0.30 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.17 2jmm s ALA 99 CO 0.35 -0.73 2.50 0.00 0.00 0.00 0.00 175.76 177.88 2jmm n ALA 100 N 3.89 6.09 -2.49 0.00 0.00 -1.26 -4.93 120.51 121.81 2jmm n ALA 100 Ca 0.13 -3.40 -0.42 0.00 0.00 0.00 0.00 53.44 49.74 2jmm n ALA 100 Cb 0.40 -3.40 -0.03 0.00 0.00 0.00 0.00 19.45 16.42 2jmm n ALA 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jmm s GLU 101 N 2.96 4.34 0.42 0.00 2.12 -1.26 -1.53 118.70 125.75 2jmm s GLU 101 Ca 0.57 1.62 -0.21 0.00 0.36 0.00 0.00 54.97 57.31 2jmm s GLU 101 Cb 0.15 -3.58 -0.11 0.00 0.26 0.00 0.00 34.13 30.85 2jmm s GLU 101 CO -0.05 -0.47 0.95 0.00 -0.54 0.00 0.00 175.26 175.15 2jmm s ALA 102 N 2.38 3.06 0.13 6.30 0.00 0.39 -4.98 121.76 129.04 2jmm s ALA 102 Ca 0.54 0.40 -0.13 0.00 0.00 0.00 0.00 51.96 52.77 2jmm s ALA 102 Cb -0.23 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 2jmm s ALA 102 CO 0.20 0.14 0.52 -1.54 0.00 0.00 0.00 175.76 175.07 2jmm s SER 103 N -2.14 6.79 0.25 0.00 1.04 -1.26 -4.88 113.70 113.50 2jmm s SER 103 Ca 0.61 1.02 -0.30 0.00 0.48 0.00 0.00 55.95 57.76 2jmm s SER 103 Cb -0.10 -2.27 -0.09 0.00 0.10 0.00 0.00 66.02 63.67 2jmm s SER 103 CO 0.14 0.12 1.21 0.68 0.98 0.00 0.00 173.24 176.37 2jmm s VAL 104 N -1.44 3.28 -0.20 5.02 -7.23 -1.26 -4.56 120.40 114.02 2jmm s VAL 104 Ca 0.36 1.19 0.01 0.00 -1.81 0.00 0.00 61.98 61.74 2jmm s VAL 104 Cb -0.15 -3.76 0.03 0.00 0.56 0.00 0.00 36.38 33.06 2jmm s VAL 104 CO 0.19 0.24 -0.18 -0.94 -0.31 0.00 0.00 175.10 174.10 2jmm s SER 105 N -0.34 3.39 -0.51 4.85 1.04 -1.24 -4.97 113.70 115.92 2jmm s SER 105 Ca 0.50 -0.80 -0.27 0.00 0.48 0.00 0.00 55.95 55.86 2jmm s SER 105 Cb -0.35 -1.49 -0.04 0.00 0.10 0.00 0.00 66.02 64.25 2jmm s SER 105 CO 0.42 -0.04 2.07 -2.16 0.98 0.00 0.00 173.24 174.51 2jmm s PRO 106 N 1.25 2.55 -0.07 4.02 0.04 -1.26 -2.89 135.00 138.63 2jmm s PRO 106 Ca 0.02 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.17 2jmm s PRO 106 Cb -0.14 -4.43 0.01 0.00 0.04 0.00 0.00 34.50 29.97 2jmm s PRO 106 CO -0.11 -2.79 -0.17 0.14 0.04 0.00 0.00 177.00 174.10 2jmm s VAL 107 N 9.90 1.53 -0.06 -0.36 -7.23 0.21 -4.19 120.40 120.20 2jmm s VAL 107 Ca 0.81 -0.72 0.03 0.00 -1.81 0.00 0.00 61.98 60.29 2jmm s VAL 107 Cb -0.16 -1.35 0.01 0.00 0.56 0.00 0.00 36.38 35.44 2jmm s VAL 107 CO 0.25 0.44 -0.14 0.72 -0.31 0.00 0.00 175.10 176.06 2jmm s PHE 108 N 0.44 1.53 0.02 2.82 -0.71 -0.36 -1.13 117.98 120.60 2jmm s PHE 108 Ca -0.14 -0.54 0.05 0.00 -1.04 0.00 0.00 56.93 55.26 2jmm s PHE 108 Cb -0.16 -1.09 -0.02 0.00 -1.21 0.00 0.00 43.02 40.54 2jmm s PHE 108 CO 0.05 -0.25 -0.15 0.00 -1.34 0.00 0.00 175.22 173.53 2jmm s ALA 109 N 0.50 1.28 -0.32 1.99 0.00 0.65 -0.40 121.76 125.46 2jmm s ALA 109 Ca -0.12 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 2jmm s ALA 109 Cb -0.15 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 22.78 2jmm s ALA 109 CO 0.04 0.27 0.05 0.20 0.00 0.00 0.00 175.76 176.31 2jmm s GLY 110 N -0.89 1.80 0.04 0.00 0.00 -0.35 -0.47 107.32 107.46 2jmm s GLY 110 Ca 0.04 -1.86 0.09 0.00 0.00 0.00 0.00 44.72 42.99 2jmm s GLY 110 CO 0.01 0.75 -0.25 -0.32 0.00 0.00 0.00 173.10 173.29 2jmm s GLY 111 N 1.35 1.42 -0.06 0.20 0.00 0.19 -0.60 107.32 109.83 2jmm s GLY 111 Ca -0.03 -1.25 0.05 0.00 0.00 0.00 0.00 44.72 43.49 2jmm s GLY 111 CO -0.01 -1.13 -0.21 -1.34 0.00 0.00 0.00 173.10 170.42 2jmm s VAL 112 N -0.81 2.48 -0.02 1.40 -7.23 -0.01 0.03 120.40 116.24 2jmm s VAL 112 Ca 0.12 -0.92 0.06 0.00 -1.81 0.00 0.00 61.98 59.42 2jmm s VAL 112 Cb -0.10 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 2jmm s VAL 112 CO 0.02 0.57 -0.19 -1.83 -0.31 0.00 0.00 175.10 173.37 2jmm s GLU 113 N -0.38 1.59 -0.00 4.82 -1.05 0.49 -0.90 118.70 123.26 2jmm s GLU 113 Ca 0.03 -0.67 0.07 0.00 -0.15 0.00 0.00 54.97 54.25 2jmm s GLU 113 Cb -0.12 -1.51 -0.03 0.00 -0.44 0.00 0.00 34.13 32.04 2jmm s GLU 113 CO 0.02 0.39 -0.22 -0.47 0.95 0.00 0.00 175.26 175.93 2jmm s TYR 114 N -0.38 2.46 -0.15 4.83 5.04 0.12 -0.96 117.35 128.31 2jmm s TYR 114 Ca 0.06 -0.33 -0.05 0.00 -2.44 0.00 0.00 57.07 54.30 2jmm s TYR 114 Cb -0.08 -1.50 -0.04 0.00 0.35 0.00 0.00 41.96 40.69 2jmm s TYR 114 CO -0.00 0.10 0.03 0.14 -1.34 0.00 0.00 175.55 174.47 2jmm s VAL 115 N -0.74 4.48 -0.65 3.14 -7.23 -1.26 0.02 120.40 118.16 2jmm s VAL 115 Ca 0.12 -0.16 -0.26 0.00 -1.81 0.00 0.00 61.98 59.87 2jmm s VAL 115 Cb -0.10 -2.97 -0.09 0.00 0.56 0.00 0.00 36.38 33.78 2jmm s VAL 115 CO 0.01 0.51 2.30 0.27 -0.31 0.00 0.00 175.10 177.89 2jmm s ILE 116 N -0.01 3.09 -1.20 -0.62 -4.36 -1.22 -4.90 121.20 111.97 2jmm s ILE 116 Ca 0.04 -0.01 -0.20 0.00 -0.26 0.00 0.00 60.65 60.22 2jmm s ILE 116 Cb -0.13 -3.22 0.04 0.00 1.25 0.00 0.00 42.46 40.41 2jmm s ILE 116 CO 0.02 -0.21 1.69 -0.60 0.24 0.00 0.00 174.94 176.08 2jmm s ARG 117 N 8.23 3.69 0.00 0.37 3.52 -1.26 -3.36 118.95 130.14 2jmm s ARG 117 Ca 0.90 -1.63 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 2jmm s ARG 117 Cb -0.14 -5.45 0.00 0.00 -1.56 0.00 0.00 34.95 27.80 2jmm s ARG 117 CO 0.17 -2.46 0.00 -2.13 -0.81 0.00 0.00 175.30 170.06 2jmm n ARG 118 N 8.53 0.00 -1.67 5.12 0.63 -1.26 -5.07 116.66 122.94 2jmm n ARG 118 Ca 0.44 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 57.01 2jmm n ARG 118 Cb 0.47 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.35 2jmm n ARG 118 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2jmm s ARG 119 N 3.99 2.20 -0.28 -0.14 3.52 -1.26 -3.86 118.95 123.13 2jmm s ARG 119 Ca 0.00 1.21 -0.05 0.00 -0.13 0.00 0.00 55.73 56.76 2jmm s ARG 119 Cb 0.00 -4.55 0.01 0.00 -1.56 0.00 0.00 34.95 28.85 2jmm s ARG 119 CO 0.00 -3.18 0.20 -0.89 -0.81 0.00 0.00 175.30 170.62 2jmm n ILE 120 N 7.83 -9.45 -0.14 4.11 5.41 -1.26 -4.98 119.36 120.88 2jmm n ILE 120 Ca 0.33 1.11 -0.08 0.00 1.00 0.00 0.00 62.75 65.11 2jmm n ILE 120 Cb 0.54 -6.40 0.01 0.00 -0.71 0.00 0.00 39.64 33.08 2jmm n ILE 120 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2jmm h THR 121 N 1.99 1.10 -0.06 1.39 2.02 -1.66 -3.22 112.91 114.47 2jmm h THR 121 Ca 0.00 -0.20 -0.69 0.00 0.77 0.00 0.00 66.41 66.29 2jmm h THR 121 Cb 0.34 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2jmm h THR 121 CO 0.11 0.10 2.88 -0.81 0.37 0.00 0.00 175.52 178.18 2jmm n PRO 122 N -4.80 2.57 0.00 6.66 -0.04 -1.26 -4.21 135.00 133.93 2jmm n PRO 122 Ca 0.01 -2.48 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 2jmm n PRO 122 Cb 0.03 -3.23 0.00 0.00 -0.04 0.00 0.00 33.50 30.25 2jmm n PRO 122 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jmm n GLU 123 N 6.46 0.00 -4.89 0.54 2.13 -1.22 -4.92 120.64 118.74 2jmm n GLU 123 Ca 0.51 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 58.05 2jmm n GLU 123 Cb 0.40 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.96 2jmm n GLU 123 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2jmm s ILE 124 N 0.00 1.94 -0.21 6.31 -5.25 -1.26 -1.80 121.20 120.93 2jmm s ILE 124 Ca 0.00 -1.25 -0.06 0.00 -0.99 0.00 0.00 60.65 58.35 2jmm s ILE 124 Cb 0.00 -1.66 -0.03 0.00 2.95 0.00 0.00 42.46 43.73 2jmm s ILE 124 CO 0.00 0.36 0.03 0.00 -1.79 0.00 0.00 174.94 173.53 2jmm s ALA 125 N -0.75 3.10 -0.31 2.27 0.00 0.12 -3.44 121.76 122.76 2jmm s ALA 125 Ca 0.10 -1.02 -0.28 0.00 0.00 0.00 0.00 51.96 50.76 2jmm s ALA 125 Cb -0.09 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.16 2jmm s ALA 125 CO 0.01 -0.23 1.04 0.99 0.00 0.00 0.00 175.76 177.57 2jmm s THR 126 N 1.15 4.56 -0.04 0.00 2.01 0.10 -0.85 115.64 122.57 2jmm s THR 126 Ca 0.03 1.70 0.04 0.00 0.31 0.00 0.00 61.69 63.78 2jmm s THR 126 Cb -0.14 -4.37 -0.00 0.00 0.01 0.00 0.00 72.50 67.99 2jmm s THR 126 CO 0.02 -0.42 -0.18 0.00 -0.69 0.00 0.00 174.62 173.35 2jmm s ARG 127 N 3.52 1.84 -0.21 4.92 1.70 0.63 -0.71 118.95 130.64 2jmm s ARG 127 Ca 0.44 -0.63 -0.00 0.00 -0.47 0.00 0.00 55.73 55.06 2jmm s ARG 127 Cb -0.13 -1.60 0.06 0.00 -0.57 0.00 0.00 34.95 32.71 2jmm s ARG 127 CO 0.14 0.26 -0.04 -0.48 -1.08 0.00 0.00 175.30 174.10 2jmm s LEU 128 N 0.01 2.12 -0.08 -1.89 2.34 -0.08 -0.90 118.68 120.19 2jmm s LEU 128 Ca -0.03 -1.01 0.02 0.00 0.06 0.00 0.00 54.13 53.17 2jmm s LEU 128 Cb -0.12 -1.02 -0.02 0.00 -0.56 0.00 0.00 46.19 44.48 2jmm s LEU 128 CO 0.02 -0.24 -0.15 -0.70 -1.06 0.00 0.00 176.35 174.23 2jmm s GLU 129 N 1.53 2.89 -0.32 1.48 2.12 0.14 -0.83 118.70 125.70 2jmm s GLU 129 Ca -0.04 -0.71 -0.01 0.00 0.36 0.00 0.00 54.97 54.57 2jmm s GLU 129 Cb -0.18 -2.47 0.07 0.00 0.26 0.00 0.00 34.13 31.81 2jmm s GLU 129 CO -0.07 0.42 0.03 0.71 -0.54 0.00 0.00 175.26 175.82 2jmm s TYR 130 N -0.21 3.37 -0.35 5.30 2.02 0.23 -0.66 117.35 127.05 2jmm s TYR 130 Ca 0.00 -2.12 -0.16 0.00 -0.37 0.00 0.00 57.07 54.43 2jmm s TYR 130 Cb -0.13 -2.38 -0.01 0.00 -0.40 0.00 0.00 41.96 39.04 2jmm s TYR 130 CO 0.03 -0.86 0.39 -1.14 -1.57 0.00 0.00 175.55 172.41 2jmm s GLN 131 N 1.19 3.53 0.07 -0.62 -0.44 0.54 -1.21 119.66 122.72 2jmm s GLN 131 Ca -0.02 -0.41 0.09 0.00 -2.50 0.00 0.00 55.36 52.53 2jmm s GLN 131 Cb -0.20 -3.82 -0.03 0.00 -1.64 0.00 0.00 33.01 27.31 2jmm s GLN 131 CO -0.03 -0.57 -0.24 -1.58 0.50 0.00 0.00 175.29 173.37 2jmm s TRP 132 N 2.08 2.39 0.11 1.67 0.52 0.46 0.11 118.94 126.29 2jmm s TRP 132 Ca 0.13 -0.35 0.09 0.00 0.02 0.00 0.00 56.10 55.98 2jmm s TRP 132 Cb -0.16 -1.37 -0.04 0.00 -1.15 0.00 0.00 33.47 30.75 2jmm s TRP 132 CO 0.12 0.24 -0.21 -0.08 0.02 0.00 0.00 176.95 177.03 2jmm s THR 133 N -0.93 1.80 0.00 2.01 -1.32 -0.98 -1.22 115.64 114.99 2jmm s THR 133 Ca 0.14 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 58.99 2jmm s THR 133 Cb -0.10 -1.65 0.00 0.00 -1.51 0.00 0.00 72.50 69.24 2jmm s THR 133 CO 0.05 -0.08 0.00 -3.20 -2.21 0.00 0.00 174.62 169.18 2jmm n ASN 134 N 0.95 -2.77 -4.77 8.08 5.15 -1.26 -3.88 115.26 116.75 2jmm n ASN 134 Ca -0.18 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.57 2jmm n ASN 134 Cb 0.54 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.73 2jmm n ASN 134 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2jmm s ASN 135 N -4.00 4.75 0.64 1.20 3.84 -1.26 -4.95 114.94 115.16 2jmm s ASN 135 Ca 0.00 -0.80 0.00 0.00 0.21 0.00 0.00 52.86 52.27 2jmm s ASN 135 Cb 0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 41.25 40.02 2jmm s ASN 135 CO 0.00 -0.41 0.00 0.00 -2.79 0.00 0.00 177.10 173.90 2jmm n ALA 136 N -1.25 -0.62 -1.87 1.71 0.00 -1.26 -4.27 120.51 112.94 2jmm n ALA 136 Ca -0.01 0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 2jmm n ALA 136 Cb 0.62 -0.21 -0.07 0.00 0.00 0.00 0.00 19.45 19.79 2jmm n ALA 136 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jmm s SER 137 N -4.30 4.51 0.00 0.00 1.04 -1.26 -4.77 113.70 108.93 2jmm s SER 137 Ca 0.00 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2jmm s SER 137 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2jmm s SER 137 CO 0.00 -3.48 0.00 -0.67 0.98 0.00 0.00 173.24 170.07 2jmm n ASP 138 N 16.21 0.00 -3.87 7.02 -0.08 -1.26 -5.09 116.55 129.48 2jmm n ASP 138 Ca 0.43 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.49 2jmm n ASP 138 Cb 0.46 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.75 2jmm n ASP 138 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2jmm s ASN 139 N -0.77 1.30 0.02 1.67 0.01 -1.25 -5.07 114.94 110.84 2jmm s ASN 139 Ca 0.00 -0.14 0.08 0.00 -0.71 0.00 0.00 52.86 52.08 2jmm s ASN 139 Cb 0.00 -0.51 -0.03 0.00 0.41 0.00 0.00 41.25 41.12 2jmm s ASN 139 CO 0.00 -0.09 -0.23 -0.83 -1.51 0.00 0.00 177.10 174.44 2jmm s GLY 140 N 1.28 1.44 -0.05 0.66 0.00 -1.26 -2.33 107.32 107.05 2jmm s GLY 140 Ca -0.05 -1.19 0.05 0.00 0.00 0.00 0.00 44.72 43.53 2jmm s GLY 140 CO -0.02 -1.05 -0.21 -0.29 0.00 0.00 0.00 173.10 171.53 2jmm s MET 141 N -1.11 2.52 -0.44 2.90 1.75 0.12 -0.56 119.30 124.47 2jmm s MET 141 Ca 0.12 -0.83 -0.08 0.00 -1.25 0.00 0.00 55.69 53.65 2jmm s MET 141 Cb -0.10 -2.24 0.10 0.00 2.84 0.00 0.00 34.83 35.43 2jmm s MET 141 CO 0.02 0.47 0.29 -0.48 -0.65 0.00 0.00 175.02 174.67 2jmm s LEU 142 N -0.37 5.40 -0.19 4.11 2.34 0.44 -0.34 118.68 130.07 2jmm s LEU 142 Ca 0.03 -1.77 -0.04 0.00 0.06 0.00 0.00 54.13 52.41 2jmm s LEU 142 Cb -0.12 -1.97 -0.02 0.00 -0.56 0.00 0.00 46.19 43.52 2jmm s LEU 142 CO 0.02 -0.61 -0.03 -0.44 -1.06 0.00 0.00 176.35 174.23 2jmm s SER 143 N 2.32 4.62 0.00 1.48 0.01 0.17 -1.22 113.70 121.07 2jmm s SER 143 Ca 0.05 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.08 2jmm s SER 143 Cb -0.24 -1.78 -0.01 0.00 0.21 0.00 0.00 66.02 64.20 2jmm s SER 143 CO -0.00 0.08 -0.06 -1.48 0.41 0.00 0.00 173.24 172.19 2jmm s LEU 144 N 0.92 2.03 0.00 2.44 2.34 0.56 0.24 118.68 127.21 2jmm s LEU 144 Ca 0.00 -0.14 0.00 0.00 0.06 0.00 0.00 54.13 54.05 2jmm s LEU 144 Cb -0.14 -0.27 0.00 0.00 -0.56 0.00 0.00 46.19 45.22 2jmm s LEU 144 CO 0.01 0.04 0.00 0.61 -1.06 0.00 0.00 176.35 175.96 2jmm n GLY 145 N 2.81 -0.73 3.12 -3.48 0.00 -0.08 -0.44 105.19 106.39 2jmm n GLY 145 Ca -0.14 -0.67 -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 -1.34 0.00 0.00 0.00 173.32 171.98 2jmm s VAL 146 N -3.00 1.19 -0.09 1.61 -7.23 -0.38 -0.27 120.40 112.23 2jmm s VAL 146 Ca 0.00 -0.64 0.02 0.00 -1.81 0.00 0.00 61.98 59.55 2jmm s VAL 146 Cb 0.00 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.93 2jmm s VAL 146 CO 0.00 0.34 -0.16 -0.94 -0.31 0.00 0.00 175.10 174.03 2jmm s SER 147 N -0.33 3.85 -0.14 4.85 1.04 -0.03 -0.76 113.70 122.19 2jmm s SER 147 Ca 0.05 -0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.11 2jmm s SER 147 Cb -0.06 -1.23 -0.04 0.00 0.10 0.00 0.00 66.02 64.79 2jmm s SER 147 CO -0.00 0.24 0.07 -0.47 0.98 0.00 0.00 173.24 174.05 2jmm s TYR 148 N -0.10 3.32 -0.04 5.02 6.14 0.13 0.13 117.35 131.95 2jmm s TYR 148 Ca -0.02 0.23 -0.30 0.00 0.64 0.00 0.00 57.07 57.61 2jmm s TYR 148 Cb -0.14 -1.97 -0.04 0.00 0.42 0.00 0.00 41.96 40.23 2jmm s TYR 148 CO 0.04 0.39 1.28 1.03 0.64 0.00 0.00 175.55 178.92 2jmm s ARG 149 N -0.31 4.32 0.00 4.97 1.81 -0.74 -1.67 118.95 127.33 2jmm s ARG 149 Ca 0.09 1.78 0.00 0.00 -1.72 0.00 0.00 55.73 55.88 2jmm s ARG 149 Cb -0.12 -3.57 0.00 0.00 -0.45 0.00 0.00 34.95 30.81 2jmm s ARG 149 CO 0.02 -0.51 0.00 1.19 -0.68 0.00 0.00 175.30 175.32 2jmm n PHE 150 N 5.33 0.00 -1.40 -0.53 3.01 0.55 -4.74 117.46 119.68 2jmm n PHE 150 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 2jmm n PHE 150 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 2jmm n PHE 150 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jmm n GLY 151 N 0.00 -0.51 0.32 1.37 0.00 -1.26 -3.97 105.19 101.14 2jmm n GLY 151 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.87 2jmm n GLY 151 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2jmm h GLN 152 N 0.00 0.87 -4.76 1.61 7.50 -1.98 -2.86 115.11 115.48 2jmm h GLN 152 Ca 0.00 -0.05 -0.68 0.00 0.50 0.00 0.00 58.65 58.42 2jmm h GLN 152 Cb 0.22 -0.20 -0.05 0.00 0.05 0.00 0.00 27.48 27.50 2jmm h GLN 152 CO 0.00 0.57 2.66 0.41 -1.50 0.00 0.00 178.83 180.98 2jmm n GLY 153 N -1.33 3.50 3.57 3.46 0.00 -1.26 -4.92 105.19 108.21 2jmm n GLY 153 Ca 0.13 -1.49 -0.25 0.00 0.00 0.00 0.00 46.02 44.42 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 3.83 2.29 -0.60 1.61 2.12 -1.08 -4.92 118.70 121.94 2jmm s GLU 154 Ca 0.51 -0.52 -0.26 0.00 0.36 0.00 0.00 54.97 55.06 2jmm s GLU 154 Cb 0.10 -5.09 -0.04 0.00 0.26 0.00 0.00 34.13 29.36 2jmm s GLU 154 CO -0.01 -3.92 2.03 0.00 -0.54 0.00 0.00 175.26 172.82 2jmm s ALA 155 N 11.63 1.95 -2.94 6.30 0.00 -1.26 -5.22 121.76 132.21 2jmm s ALA 155 Ca 0.73 -0.52 0.24 0.00 0.00 0.00 0.00 51.96 52.41 2jmm s ALA 155 Cb -0.05 -4.34 0.29 0.00 0.00 0.00 0.00 23.12 19.01 2jmm s ALA 155 CO 0.07 -4.17 1.31 0.00 0.00 0.00 0.00 175.76 172.97