#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmm s PRO 2 N 0.00 4.28 0.00 0.03 0.04 -1.26 -4.96 135.00 133.13 2jmm s PRO 2 Ca 0.00 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2jmm s PRO 2 Cb 0.00 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2jmm s PRO 2 CO 0.00 -0.54 0.00 1.63 0.04 0.00 0.00 177.00 178.13 2jmm n LYS 3 N 4.53 0.00 -3.32 4.56 4.01 -1.26 -5.10 118.16 121.58 2jmm n LYS 3 Ca 0.13 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.68 2jmm n LYS 3 Cb 0.42 -0.23 0.02 0.00 -0.51 0.00 0.00 35.03 34.73 2jmm n LYS 3 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2jmm n ASP 4 N -2.32 -6.16 -3.03 4.39 2.03 -1.24 -3.86 116.55 106.36 2jmm n ASP 4 Ca 0.00 0.13 -0.05 0.00 0.52 0.00 0.00 54.79 55.40 2jmm n ASP 4 Cb 0.00 -2.25 0.00 0.00 -0.72 0.00 0.00 41.12 38.15 2jmm n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2jmm n ASN 5 N 0.19 -7.68 -4.38 1.67 5.15 -0.07 -4.94 115.26 105.21 2jmm n ASN 5 Ca -0.04 0.09 -0.28 0.00 -0.60 0.00 0.00 54.58 53.75 2jmm n ASN 5 Cb 0.58 -5.10 -0.13 0.00 -0.53 0.00 0.00 39.78 34.60 2jmm n ASN 5 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2jmm s THR 6 N -2.84 2.18 -0.15 -0.44 -1.32 -0.54 -4.91 115.64 107.62 2jmm s THR 6 Ca 0.09 -1.78 -0.05 0.00 -1.21 0.00 0.00 61.69 58.74 2jmm s THR 6 Cb -0.02 -1.95 -0.03 0.00 -1.51 0.00 0.00 72.50 68.98 2jmm s THR 6 CO 0.77 0.02 0.00 0.26 -2.21 0.00 0.00 174.62 173.46 2jmm s TRP 7 N -1.22 3.12 -0.34 9.09 0.51 -1.26 -0.31 118.94 128.54 2jmm s TRP 7 Ca 0.14 -0.09 0.02 0.00 -2.12 0.00 0.00 56.10 54.06 2jmm s TRP 7 Cb -0.09 -1.97 0.10 0.00 -0.81 0.00 0.00 33.47 30.69 2jmm s TRP 7 CO 0.06 0.12 0.06 0.71 -0.51 0.00 0.00 176.95 177.40 2jmm s TYR 8 N 0.13 3.65 -0.26 -1.98 2.02 0.82 0.08 117.35 121.81 2jmm s TYR 8 Ca 0.01 -2.76 -0.06 0.00 -0.37 0.00 0.00 57.07 53.89 2jmm s TYR 8 Cb -0.13 -2.84 -0.01 0.00 -0.40 0.00 0.00 41.96 38.58 2jmm s TYR 8 CO 0.02 -0.94 0.05 0.99 -1.57 0.00 0.00 175.55 174.10 2jmm s THR 9 N 0.99 4.00 0.10 -0.71 2.01 0.23 -1.10 115.64 121.15 2jmm s THR 9 Ca 0.07 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.72 2jmm s THR 9 Cb -0.20 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 2jmm s THR 9 CO -0.07 0.27 -0.13 -0.83 -0.69 0.00 0.00 174.62 173.18 2jmm s GLY 10 N 1.55 0.93 -0.13 4.40 0.00 0.45 -0.06 107.32 114.45 2jmm s GLY 10 Ca 0.05 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.64 2jmm s GLY 10 CO 0.02 -1.20 -0.19 0.00 0.00 0.00 0.00 173.10 171.73 2jmm s ALA 11 N -1.88 2.02 0.05 3.20 0.00 0.22 -0.15 121.76 125.22 2jmm s ALA 11 Ca 0.04 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 2jmm s ALA 11 Cb -0.06 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 2jmm s ALA 11 CO 0.02 -0.12 0.11 -1.59 0.00 0.00 0.00 175.76 174.18 2jmm s LYS 12 N 0.99 0.64 -0.04 0.00 -2.85 -0.66 -1.02 119.74 116.79 2jmm s LYS 12 Ca -0.04 -0.81 0.04 0.00 -1.00 0.00 0.00 55.97 54.16 2jmm s LYS 12 Cb -0.15 0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.85 2jmm s LYS 12 CO -0.04 -0.17 -0.14 -0.48 0.10 0.00 0.00 175.35 174.62 2jmm s LEU 13 N -2.29 2.75 -0.51 2.77 0.05 0.52 -0.04 118.68 121.93 2jmm s LEU 13 Ca -0.03 -0.20 -0.07 0.00 0.05 0.00 0.00 54.13 53.88 2jmm s LEU 13 Cb 0.00 -1.56 0.13 0.00 -2.05 0.00 0.00 46.19 42.71 2jmm s LEU 13 CO -0.06 0.34 0.36 -0.83 -0.55 0.00 0.00 176.35 175.62 2jmm s GLY 14 N -0.79 2.15 0.10 -3.48 0.00 0.50 -0.75 107.32 105.05 2jmm s GLY 14 Ca 0.12 -2.71 0.06 0.00 0.00 0.00 0.00 44.72 42.19 2jmm s GLY 14 CO 0.01 1.10 -0.05 0.86 0.00 0.00 0.00 173.10 175.02 2jmm s TRP 15 N 1.00 2.85 0.24 1.90 -0.00 0.55 -4.64 118.94 120.84 2jmm s TRP 15 Ca 0.09 -0.10 0.10 0.00 -0.00 0.00 0.00 56.10 56.19 2jmm s TRP 15 Cb -0.23 -1.47 -0.05 0.00 -0.00 0.00 0.00 33.47 31.71 2jmm s TRP 15 CO -0.02 0.45 -0.18 -1.54 -0.00 0.00 0.00 176.95 175.66 2jmm s SER 16 N -2.28 3.21 0.69 5.86 1.04 -1.26 -1.48 113.70 119.48 2jmm s SER 16 Ca 0.24 -1.01 -0.17 0.00 0.48 0.00 0.00 55.95 55.49 2jmm s SER 16 Cb -0.11 -0.24 -0.07 0.00 0.10 0.00 0.00 66.02 65.70 2jmm s SER 16 CO 0.16 -0.02 0.33 1.67 0.98 0.00 0.00 173.24 176.36 2jmm n GLN 17 N -0.44 0.26 -1.59 4.02 -0.06 -1.26 -4.79 117.38 113.52 2jmm n GLN 17 Ca -0.07 0.12 -0.14 0.00 -2.00 0.00 0.00 57.00 54.91 2jmm n GLN 17 Cb 0.60 -1.63 -0.07 0.00 -4.06 0.00 0.00 30.24 25.08 2jmm n GLN 17 CO 0.00 0.00 0.00 -0.47 -0.20 0.00 0.00 177.06 176.39 2jmm s TYR 18 N -1.91 1.16 -0.27 3.69 5.04 -1.26 -4.79 117.35 119.01 2jmm s TYR 18 Ca 0.63 1.98 -0.26 0.00 -2.44 0.00 0.00 57.07 56.98 2jmm s TYR 18 Cb -0.37 -3.45 0.12 0.00 0.35 0.00 0.00 41.96 38.62 2jmm s TYR 18 CO 0.61 -1.53 1.02 0.45 -1.34 0.00 0.00 175.55 174.75 2jmm s SER 19 N 10.71 -0.45 0.32 4.32 0.15 -1.26 -5.10 113.70 122.39 2jmm s SER 19 Ca 0.91 0.84 0.00 0.00 0.70 0.00 0.00 55.95 58.40 2jmm s SER 19 Cb -0.12 0.84 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 2jmm s SER 19 CO 0.08 -0.17 0.00 -1.14 1.20 0.00 0.00 173.24 173.21 2jmm n ARG 20 N 2.08 -2.11 -1.60 5.44 0.63 -1.26 -4.42 116.66 115.42 2jmm n ARG 20 Ca -0.12 1.57 -0.36 0.00 -0.92 0.00 0.00 57.85 58.02 2jmm n ARG 20 Cb 0.56 -2.68 -0.06 0.00 0.45 0.00 0.00 32.46 30.73 2jmm n ARG 20 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2jmm n GLU 21 N -3.52 1.49 -4.28 -0.14 0.28 -1.26 -4.91 120.64 108.30 2jmm n GLU 21 Ca -0.02 -2.14 -0.19 0.00 -0.16 0.00 0.00 57.16 54.65 2jmm n GLU 21 Cb 0.62 -3.33 -0.13 0.00 1.43 0.00 0.00 31.44 30.04 2jmm n GLU 21 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2jmm s ASN 22 N 5.84 1.70 0.00 -1.84 2.47 -1.26 -5.02 114.94 116.83 2jmm s ASN 22 Ca 0.64 -0.53 0.00 0.00 0.42 0.00 0.00 52.86 53.39 2jmm s ASN 22 Cb 0.07 -0.08 0.00 0.00 -1.45 0.00 0.00 41.25 39.78 2jmm s ASN 22 CO 0.14 -0.01 0.00 1.67 -3.72 0.00 0.00 177.10 175.18 2jmm n GLN 23 N 1.62 0.00 -3.47 0.43 7.27 -1.26 -4.97 117.38 117.00 2jmm n GLN 23 Ca -0.19 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.45 2jmm n GLN 23 Cb 0.54 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.15 2jmm n GLN 23 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2jmm s LEU 24 N -2.49 6.20 -0.17 1.69 2.96 -1.26 -4.87 118.68 120.74 2jmm s LEU 24 Ca 0.00 -2.82 -0.02 0.00 -0.22 0.00 0.00 54.13 51.06 2jmm s LEU 24 Cb 0.00 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.66 2jmm s LEU 24 CO 0.00 -0.48 0.02 -0.83 -1.32 0.00 0.00 176.35 173.74 2jmm s GLY 25 N 1.54 0.71 0.02 7.98 0.00 -1.26 -5.11 107.32 111.20 2jmm s GLY 25 Ca 0.18 -0.64 0.09 0.00 0.00 0.00 0.00 44.72 44.35 2jmm s GLY 25 CO -0.07 1.33 -0.26 0.00 0.00 0.00 0.00 173.10 174.10 2jmm s ALA 26 N 1.84 2.24 0.10 3.20 0.00 -1.26 -0.37 121.76 127.50 2jmm s ALA 26 Ca -0.00 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.81 2jmm s ALA 26 Cb -0.16 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 2jmm s ALA 26 CO -0.07 0.53 -0.12 0.20 0.00 0.00 0.00 175.76 176.30 2jmm s GLY 27 N -0.97 0.91 -0.14 0.00 0.00 0.94 -4.82 107.32 103.24 2jmm s GLY 27 Ca 0.11 -1.15 -0.06 0.00 0.00 0.00 0.00 44.72 43.62 2jmm s GLY 27 CO 0.01 -1.21 0.08 0.00 0.00 0.00 0.00 173.10 171.98 2jmm s ALA 28 N -1.98 3.56 -0.24 3.20 0.00 -0.21 -1.66 121.76 124.44 2jmm s ALA 28 Ca 0.04 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 2jmm s ALA 28 Cb -0.06 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.22 2jmm s ALA 28 CO 0.02 0.43 -0.02 0.12 0.00 0.00 0.00 175.76 176.31 2jmm s PHE 29 N -0.43 3.02 -0.51 0.00 2.19 0.79 -0.33 117.98 122.71 2jmm s PHE 29 Ca 0.10 -1.06 0.04 0.00 0.33 0.00 0.00 56.93 56.34 2jmm s PHE 29 Cb -0.12 -2.13 0.13 0.00 -1.31 0.00 0.00 43.02 39.59 2jmm s PHE 29 CO 0.02 -0.58 0.25 0.20 1.83 0.00 0.00 175.22 176.94 2jmm s GLY 30 N 1.46 2.35 -0.24 13.12 0.00 0.16 -0.41 107.32 123.76 2jmm s GLY 30 Ca 0.04 -3.19 -0.03 0.00 0.00 0.00 0.00 44.72 41.54 2jmm s GLY 30 CO -0.02 1.07 -0.04 -0.32 0.00 0.00 0.00 173.10 173.79 2jmm s GLY 31 N -0.21 1.63 -0.18 0.20 0.00 -0.26 -0.37 107.32 108.13 2jmm s GLY 31 Ca 0.17 -1.33 -0.01 0.00 0.00 0.00 0.00 44.72 43.55 2jmm s GLY 31 CO -0.00 0.49 -0.12 -2.52 0.00 0.00 0.00 173.10 170.95 2jmm s TYR 32 N 1.41 2.85 -0.88 1.90 1.13 0.75 -0.13 117.35 124.38 2jmm s TYR 32 Ca 0.03 -1.08 -0.03 0.00 -1.41 0.00 0.00 57.07 54.58 2jmm s TYR 32 Cb -0.16 -1.97 0.22 0.00 -1.10 0.00 0.00 41.96 38.96 2jmm s TYR 32 CO -0.03 -0.53 0.77 -0.65 -2.51 0.00 0.00 175.55 172.60 2jmm s GLN 33 N 1.08 3.31 0.00 -3.49 -0.21 0.58 -0.73 119.66 120.20 2jmm s GLN 33 Ca 0.00 -3.13 0.00 0.00 0.02 0.00 0.00 55.36 52.25 2jmm s GLN 33 Cb -0.15 -4.02 0.00 0.00 1.00 0.00 0.00 33.01 29.84 2jmm s GLN 33 CO -0.03 -1.25 0.36 1.55 -2.12 0.00 0.00 175.29 173.80 2jmm n VAL 34 N 2.61 0.00 -2.23 1.09 3.14 -1.26 -0.89 118.33 120.79 2jmm n VAL 34 Ca 0.19 0.76 -0.42 0.00 -2.96 0.00 0.00 64.34 61.91 2jmm n VAL 34 Cb 0.38 -1.56 -0.03 0.00 -1.06 0.00 0.00 33.84 31.57 2jmm n VAL 34 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2jmm s ASN 35 N -2.15 6.87 -0.92 6.55 2.47 -1.22 -2.19 114.94 124.35 2jmm s ASN 35 Ca 0.00 2.19 -0.20 0.00 0.42 0.00 0.00 52.86 55.27 2jmm s ASN 35 Cb 0.00 -2.57 -0.11 0.00 -1.45 0.00 0.00 41.25 37.11 2jmm s ASN 35 CO 0.00 -0.65 2.00 -0.81 -3.72 0.00 0.00 177.10 173.92 2jmm n PRO 36 N 4.58 1.81 0.02 0.43 -0.04 -1.26 -2.96 135.00 137.57 2jmm n PRO 36 Ca 0.12 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 2jmm n PRO 36 Cb 0.43 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 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 7.03 -1.64 -4.53 0.54 4.19 -1.26 -5.14 117.16 116.36 2jmm n TYR 37 Ca 0.50 0.16 -0.21 0.00 3.31 0.00 0.00 57.90 61.66 2jmm n TYR 37 Cb 0.39 0.63 -0.15 0.00 0.49 0.00 0.00 39.34 40.70 2jmm n TYR 37 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2jmm s VAL 38 N -1.46 1.01 0.25 2.97 0.11 -1.16 -4.41 120.40 117.73 2jmm s VAL 38 Ca 0.00 -0.62 0.10 0.00 -2.93 0.00 0.00 61.98 58.53 2jmm s VAL 38 Cb 0.00 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.95 2jmm s VAL 38 CO 0.00 0.23 -0.09 -0.83 -3.33 0.00 0.00 175.10 171.08 2jmm s GLY 39 N -0.44 1.74 -0.09 6.54 0.00 0.22 -3.43 107.32 111.86 2jmm s GLY 39 Ca 0.04 -1.70 0.01 0.00 0.00 0.00 0.00 44.72 43.08 2jmm s GLY 39 CO -0.00 -1.76 -0.11 -0.12 0.00 0.00 0.00 173.10 171.10 2jmm s PHE 40 N -2.26 2.82 -0.05 1.90 2.19 0.09 -0.06 117.98 122.61 2jmm s PHE 40 Ca 0.30 -0.27 0.03 0.00 0.33 0.00 0.00 56.93 57.32 2jmm s PHE 40 Cb -0.06 -1.74 0.00 0.00 -1.31 0.00 0.00 43.02 39.91 2jmm s PHE 40 CO 0.17 0.09 -0.14 -2.00 1.83 0.00 0.00 175.22 175.17 2jmm s GLU 41 N -0.34 1.61 -0.09 10.12 -6.30 0.45 -0.18 118.70 123.97 2jmm s GLU 41 Ca 0.04 -0.50 0.03 0.00 -2.50 0.00 0.00 54.97 52.04 2jmm s GLU 41 Cb -0.13 -1.39 0.01 0.00 0.00 0.00 0.00 34.13 32.62 2jmm s GLU 41 CO 0.02 0.16 -0.18 -1.64 0.02 0.00 0.00 175.26 173.65 2jmm s MET 42 N 0.24 2.39 -0.14 4.30 -1.94 0.50 -0.97 119.30 123.68 2jmm s MET 42 Ca -0.07 -0.64 -0.04 0.00 -1.71 0.00 0.00 55.69 53.23 2jmm s MET 42 Cb -0.12 -1.91 -0.03 0.00 2.01 0.00 0.00 34.83 34.77 2jmm s MET 42 CO 0.02 0.05 0.02 0.20 -0.01 0.00 0.00 175.02 175.30 2jmm s GLY 43 N 0.67 1.85 -0.22 -0.03 0.00 0.48 -0.66 107.32 109.41 2jmm s GLY 43 Ca -0.13 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 43.83 2jmm s GLY 43 CO 0.03 -0.22 -0.15 -0.19 0.00 0.00 0.00 173.10 172.57 2jmm s TYR 44 N -0.16 3.00 0.02 1.90 2.02 0.55 -0.05 117.35 124.63 2jmm s TYR 44 Ca 0.05 -1.97 0.05 0.00 -0.37 0.00 0.00 57.07 54.83 2jmm s TYR 44 Cb -0.12 -1.92 -0.02 0.00 -0.40 0.00 0.00 41.96 39.50 2jmm s TYR 44 CO 0.02 -0.84 -0.15 -0.51 -1.57 0.00 0.00 175.55 172.50 2jmm s ASP 45 N 1.20 1.78 0.02 2.29 1.01 0.17 -1.04 116.67 122.10 2jmm s ASP 45 Ca -0.02 -0.40 0.08 0.00 0.71 0.00 0.00 52.55 52.92 2jmm s ASP 45 Cb -0.16 -0.15 -0.02 0.00 1.01 0.00 0.00 42.92 43.59 2jmm s ASP 45 CO -0.09 0.10 -0.24 0.86 0.21 0.00 0.00 175.17 176.01 2jmm s TRP 46 N -0.67 2.12 -1.24 4.23 -0.11 -1.26 -0.67 118.94 121.33 2jmm s TRP 46 Ca 0.04 -0.40 -0.13 0.00 1.22 0.00 0.00 56.10 56.83 2jmm s TRP 46 Cb -0.07 -1.31 0.16 0.00 -1.50 0.00 0.00 33.47 30.75 2jmm s TRP 46 CO 0.01 0.05 1.58 -0.11 -4.62 0.00 0.00 176.95 173.85 2jmm n LEU 47 N 2.11 5.59 0.00 5.86 7.94 -1.25 -4.90 117.00 132.35 2jmm n LEU 47 Ca -0.16 -4.47 0.00 0.00 -1.11 0.00 0.00 56.01 50.27 2jmm n LEU 47 Cb 0.52 -1.59 0.00 0.00 0.53 0.00 0.00 43.42 42.88 2jmm n LEU 47 CO 0.23 0.86 0.00 0.61 -1.11 0.00 0.00 177.39 177.99 2jmm n GLY 48 N 3.84 1.00 0.00 -3.96 0.00 -1.26 -4.21 105.19 100.60 2jmm n GLY 48 Ca 0.39 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 7.75 0.00 -3.49 1.61 1.74 -1.26 -4.93 116.66 118.08 2jmm n ARG 49 Ca 0.00 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 2jmm n ARG 49 Cb 0.00 -0.23 -0.13 0.00 -1.02 0.00 0.00 32.46 31.08 2jmm n ARG 49 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 2jmm s MET 50 N 0.00 0.27 0.06 5.56 -2.45 -1.26 -5.04 119.30 116.44 2jmm s MET 50 Ca 0.00 -0.53 -0.19 0.00 -1.25 0.00 0.00 55.69 53.73 2jmm s MET 50 Cb 0.00 -1.03 -0.12 0.00 1.25 0.00 0.00 34.83 34.92 2jmm s MET 50 CO 0.00 -1.05 1.38 -1.00 1.05 0.00 0.00 175.02 175.40 2jmm h PRO 51 N 8.19 0.45 0.00 4.11 0.13 -1.88 -3.50 132.00 139.50 2jmm h PRO 51 Ca -0.15 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2jmm h PRO 51 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2jmm h PRO 51 CO 0.39 0.79 0.00 -2.13 -0.23 0.00 0.00 178.00 176.82 2jmm n ARG 52 N -4.49 0.00 -3.79 0.86 0.63 -1.26 -5.02 116.66 103.59 2jmm n ARG 52 Ca -0.05 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.60 2jmm n ARG 52 Cb 0.38 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.17 2jmm n ARG 52 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2jmm s LYS 53 N 0.94 2.12 -0.29 -0.14 2.20 -1.26 -4.99 119.74 118.32 2jmm s LYS 53 Ca 0.00 -3.08 0.00 0.00 -0.36 0.00 0.00 55.97 52.54 2jmm s LYS 53 Cb 0.00 -2.98 0.14 0.00 -1.51 0.00 0.00 37.83 33.48 2jmm s LYS 53 CO 0.00 -1.31 0.33 0.00 -0.36 0.00 0.00 175.35 174.01 2jmm s ALA 54 N -1.13 -0.67 0.15 3.13 0.00 -1.26 -4.03 121.76 117.96 2jmm s ALA 54 Ca 0.27 -0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.09 2jmm s ALA 54 Cb -0.03 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 2jmm s ALA 54 CO -0.17 -1.75 -0.15 1.14 0.00 0.00 0.00 175.76 174.83 2jmm s GLN 55 N 2.36 1.16 -0.36 0.00 -2.07 -1.25 -3.84 119.66 115.67 2jmm s GLN 55 Ca 0.10 -1.37 0.01 0.00 -1.82 0.00 0.00 55.36 52.28 2jmm s GLN 55 Cb -0.13 -1.05 0.10 0.00 -1.09 0.00 0.00 33.01 30.83 2jmm s GLN 55 CO -0.31 0.20 0.10 0.20 -1.32 0.00 0.00 175.29 174.16 2jmm s GLY 56 N -2.74 1.94 -0.13 2.60 0.00 0.15 -0.84 107.32 108.30 2jmm s GLY 56 Ca 0.14 -2.50 -0.02 0.00 0.00 0.00 0.00 44.72 42.35 2jmm s GLY 56 CO 0.05 0.95 -0.07 -1.34 0.00 0.00 0.00 173.10 172.69 2jmm s VAL 57 N 1.00 3.62 -0.20 1.40 -7.23 0.25 -0.65 120.40 118.59 2jmm s VAL 57 Ca 0.09 -0.47 -0.04 0.00 -1.81 0.00 0.00 61.98 59.75 2jmm s VAL 57 Cb -0.20 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 2jmm s VAL 57 CO -0.06 0.52 -0.02 -1.10 -0.31 0.00 0.00 175.10 174.13 2jmm s GLN 58 N 0.13 3.54 -0.30 4.82 -0.21 0.93 -0.30 119.66 128.27 2jmm s GLN 58 Ca -0.03 -0.56 -0.03 0.00 0.02 0.00 0.00 55.36 54.76 2jmm s GLN 58 Cb -0.14 -3.02 0.04 0.00 1.00 0.00 0.00 33.01 30.89 2jmm s GLN 58 CO 0.03 -0.02 0.02 -0.48 -2.12 0.00 0.00 175.29 172.73 2jmm s LEU 59 N 1.05 3.87 0.07 2.90 2.34 0.26 -0.39 118.68 128.78 2jmm s LEU 59 Ca 0.01 -1.14 0.02 0.00 0.06 0.00 0.00 54.13 53.08 2jmm s LEU 59 Cb -0.14 -1.75 -0.04 0.00 -0.56 0.00 0.00 46.19 43.70 2jmm s LEU 59 CO 0.01 -0.25 -0.07 0.42 -1.06 0.00 0.00 176.35 175.40 2jmm s THR 60 N 1.32 0.60 -0.01 5.48 -4.23 -0.14 -0.96 115.64 117.69 2jmm s THR 60 Ca -0.03 -1.61 0.06 0.00 -1.18 0.00 0.00 61.69 58.93 2jmm s THR 60 Cb -0.19 -1.28 -0.03 0.00 1.34 0.00 0.00 72.50 72.35 2jmm s THR 60 CO -0.00 -0.70 -0.19 0.00 -0.54 0.00 0.00 174.62 173.18 2jmm s ALA 61 N -2.83 2.49 -0.18 3.99 0.00 0.63 -0.41 121.76 125.46 2jmm s ALA 61 Ca 0.03 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 2jmm s ALA 61 Cb -0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 2jmm s ALA 61 CO -0.03 0.55 -0.05 0.15 0.00 0.00 0.00 175.76 176.38 2jmm s LYS 62 N -0.92 3.52 0.06 0.00 1.02 0.92 -1.07 119.74 123.26 2jmm s LYS 62 Ca 0.12 -0.58 0.07 0.00 0.02 0.00 0.00 55.97 55.60 2jmm s LYS 62 Cb -0.10 -2.92 -0.03 0.00 -0.52 0.00 0.00 37.83 34.26 2jmm s LYS 62 CO 0.02 0.07 -0.19 -0.48 -0.92 0.00 0.00 175.35 173.84 2jmm s LEU 63 N 0.80 2.21 0.00 3.17 0.05 -0.10 -0.61 118.68 124.21 2jmm s LEU 63 Ca -0.02 -0.56 0.00 0.00 0.05 0.00 0.00 54.13 53.60 2jmm s LEU 63 Cb -0.15 -0.84 0.00 0.00 -2.05 0.00 0.00 46.19 43.15 2jmm s LEU 63 CO 0.02 0.09 0.00 0.61 -0.55 0.00 0.00 176.35 176.52 2jmm n GLY 64 N 1.60 0.71 3.50 -3.48 0.00 -1.26 -0.05 105.19 106.21 2jmm n GLY 64 Ca -0.18 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 2jmm n GLY 64 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jmm s TYR 65 N -2.25 -0.38 0.20 1.61 1.13 -0.39 -4.96 117.35 112.32 2jmm s TYR 65 Ca 0.00 0.28 -0.30 0.00 -1.41 0.00 0.00 57.07 55.64 2jmm s TYR 65 Cb 0.00 0.53 -0.09 0.00 -1.10 0.00 0.00 41.96 41.30 2jmm s TYR 65 CO 0.00 -0.56 1.35 -1.25 -2.51 0.00 0.00 175.55 172.58 2jmm s PRO 66 N -2.97 4.35 -0.10 -3.49 0.04 -1.26 -1.01 135.00 130.56 2jmm s PRO 66 Ca 0.04 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2jmm s PRO 66 Cb -0.01 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.37 2jmm s PRO 66 CO -0.08 -0.31 -0.09 0.21 0.04 0.00 0.00 177.00 176.77 2jmm s LYS 67 N -0.02 1.56 0.02 4.56 2.36 0.15 -4.76 119.74 123.60 2jmm s LYS 67 Ca 0.58 -0.29 -0.30 0.00 -2.55 0.00 0.00 55.97 53.41 2jmm s LYS 67 Cb -0.38 -1.52 -0.06 0.00 -1.05 0.00 0.00 37.83 34.82 2jmm s LYS 67 CO 0.38 -0.19 1.42 -0.48 1.55 0.00 0.00 175.35 178.04 2jmm s LEU 68 N 1.43 4.33 0.00 5.43 2.34 -1.26 -2.89 118.68 128.06 2jmm s LEU 68 Ca -0.00 2.17 0.00 0.00 0.06 0.00 0.00 54.13 56.36 2jmm s LEU 68 Cb -0.13 -3.56 0.00 0.00 -0.56 0.00 0.00 46.19 41.93 2jmm s LEU 68 CO -0.05 -0.73 0.00 0.61 -1.06 0.00 0.00 176.35 175.12 2jmm n GLY 69 N 3.66 0.35 0.00 -3.48 0.00 -1.26 -5.00 105.19 99.46 2jmm n GLY 69 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2jmm n GLY 69 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jmm n THR 70 N -0.38 0.00 -1.17 2.61 5.66 -1.26 -5.02 114.28 114.71 2jmm n THR 70 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2jmm n THR 70 Cb 0.00 -0.35 0.00 0.00 -1.55 0.00 0.00 70.33 68.43 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 -2.16 0.00 -4.23 1.09 8.00 -1.26 -5.11 116.55 112.87 2jmm n ASP 71 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 2jmm n ASP 71 Cb 0.34 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.34 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 0.69 5.58 -0.01 -2.24 2.15 -1.06 -4.73 116.67 117.05 2jmm s ASP 72 Ca 0.00 -1.66 0.03 0.00 0.43 0.00 0.00 52.55 51.35 2jmm s ASP 72 Cb 0.00 -1.96 -0.03 0.00 -0.30 0.00 0.00 42.92 40.62 2jmm s ASP 72 CO 0.00 -0.57 -0.07 -1.48 -0.17 0.00 0.00 175.17 172.88 2jmm s LEU 73 N 1.37 3.14 -0.19 -1.34 2.34 -1.14 -0.20 118.68 122.66 2jmm s LEU 73 Ca 0.04 -0.14 -0.03 0.00 0.06 0.00 0.00 54.13 54.06 2jmm s LEU 73 Cb -0.24 -1.78 -0.01 0.00 -0.56 0.00 0.00 46.19 43.60 2jmm s LEU 73 CO 0.01 0.29 -0.06 -1.81 -1.06 0.00 0.00 176.35 173.72 2jmm s ASP 74 N -1.31 4.33 -0.29 1.48 1.11 0.10 0.29 116.67 122.38 2jmm s ASP 74 Ca 0.16 -0.34 -0.04 0.00 0.18 0.00 0.00 52.55 52.51 2jmm s ASP 74 Cb -0.11 -1.72 0.03 0.00 1.07 0.00 0.00 42.92 42.18 2jmm s ASP 74 CO 0.06 0.04 0.03 -0.63 1.18 0.00 0.00 175.17 175.86 2jmm s ILE 75 N 1.09 3.46 0.01 0.77 1.01 -0.18 -0.61 121.20 126.74 2jmm s ILE 75 Ca 0.01 -0.99 0.08 0.00 0.00 0.00 0.00 60.65 59.75 2jmm s ILE 75 Cb -0.15 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.46 2jmm s ILE 75 CO -0.01 0.03 -0.23 -0.31 0.00 0.00 0.00 174.94 174.42 2jmm s TYR 76 N 1.39 2.07 -0.22 3.97 2.02 0.06 -1.26 117.35 125.38 2jmm s TYR 76 Ca -0.00 -0.39 -0.05 0.00 -0.37 0.00 0.00 57.07 56.25 2jmm s TYR 76 Cb -0.18 -1.29 -0.02 0.00 -0.40 0.00 0.00 41.96 40.07 2jmm s TYR 76 CO -0.00 0.02 0.01 0.99 -1.57 0.00 0.00 175.55 175.00 2jmm s THR 77 N -0.64 3.94 -0.18 -0.71 2.01 0.93 -0.56 115.64 120.43 2jmm s THR 77 Ca 0.09 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 2jmm s THR 77 Cb -0.09 -2.80 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 2jmm s THR 77 CO 0.00 0.40 -0.13 -0.60 -0.69 0.00 0.00 174.62 173.61 2jmm s ARG 78 N 1.24 3.23 -0.02 4.92 3.52 0.19 -0.92 118.95 131.10 2jmm s ARG 78 Ca 0.04 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 54.94 2jmm s ARG 78 Cb -0.15 -2.72 -0.00 0.00 -1.56 0.00 0.00 34.95 30.52 2jmm s ARG 78 CO 0.01 -0.07 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.16 2jmm s LEU 79 N 1.05 1.94 0.00 -0.88 2.96 -0.24 0.01 118.68 123.52 2jmm s LEU 79 Ca -0.01 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 2jmm s LEU 79 Cb -0.15 -0.58 0.00 0.00 0.50 0.00 0.00 46.19 45.97 2jmm s LEU 79 CO -0.03 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.72 2jmm n GLY 80 N 2.99 -0.81 3.02 7.98 0.00 -0.54 -0.26 105.19 117.56 2jmm n GLY 80 Ca -0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 0.28 -0.22 -0.02 0.00 -0.14 -0.35 107.32 106.87 2jmm s GLY 81 Ca 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 44.72 44.00 2jmm s GLY 81 CO 0.00 -0.78 -0.07 -3.16 0.00 0.00 0.00 173.10 169.09 2jmm s MET 82 N -2.03 3.18 -0.17 2.90 0.23 -1.26 -0.57 119.30 121.58 2jmm s MET 82 Ca -0.11 -0.74 -0.01 0.00 -1.03 0.00 0.00 55.69 53.80 2jmm s MET 82 Cb -0.06 -2.95 -0.01 0.00 -1.53 0.00 0.00 34.83 30.28 2jmm s MET 82 CO -0.03 -0.26 -0.10 0.08 -2.03 0.00 0.00 175.02 172.68 2jmm s VAL 83 N 1.42 3.09 0.09 5.16 1.01 0.59 -4.49 120.40 127.27 2jmm s VAL 83 Ca 0.04 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.49 2jmm s VAL 83 Cb -0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2jmm s VAL 83 CO -0.05 0.49 -0.20 -1.66 0.00 0.00 0.00 175.10 173.68 2jmm s TRP 84 N 0.81 2.49 -0.17 5.22 1.48 -1.26 -0.58 118.94 126.93 2jmm s TRP 84 Ca -0.04 -0.29 -0.08 0.00 -1.06 0.00 0.00 56.10 54.63 2jmm s TRP 84 Cb -0.15 -1.37 -0.04 0.00 -1.16 0.00 0.00 33.47 30.75 2jmm s TRP 84 CO 0.01 0.32 0.12 0.50 -4.06 0.00 0.00 176.95 173.84 2jmm s ARG 85 N -1.87 3.88 -0.04 3.25 3.52 -0.02 -4.62 118.95 123.05 2jmm s ARG 85 Ca 0.16 -0.22 0.04 0.00 -0.13 0.00 0.00 55.73 55.58 2jmm s ARG 85 Cb -0.10 -3.30 -0.00 0.00 -1.56 0.00 0.00 34.95 29.99 2jmm s ARG 85 CO 0.08 0.46 -0.16 0.00 -0.81 0.00 0.00 175.30 174.87 2jmm s ALA 86 N -0.12 1.41 -0.80 6.12 0.00 -1.26 -3.76 121.76 123.36 2jmm s ALA 86 Ca 0.10 -0.63 -0.25 0.00 0.00 0.00 0.00 51.96 51.17 2jmm s ALA 86 Cb -0.11 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 2jmm s ALA 86 CO 0.00 0.25 1.68 -0.51 0.00 0.00 0.00 175.76 177.18 2jmm s ASP 87 N 0.07 5.66 -1.37 0.00 1.01 -1.26 -3.09 116.67 117.69 2jmm s ASP 87 Ca -0.04 -0.45 -0.04 0.00 0.71 0.00 0.00 52.55 52.73 2jmm s ASP 87 Cb -0.11 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.29 2jmm s ASP 87 CO 0.02 -2.20 0.81 0.41 0.21 0.00 0.00 175.17 174.42 2jmm n THR 88 N 7.15 -3.74 0.00 -1.27 -1.04 -1.26 -4.41 114.28 109.71 2jmm n THR 88 Ca 0.24 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2jmm n THR 88 Cb 0.50 -3.55 0.00 0.00 -1.82 0.00 0.00 70.33 65.46 2jmm n THR 88 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2jmm n SER 89 N -2.99 0.00 -3.76 8.00 3.41 -1.18 -4.39 113.62 112.71 2jmm n SER 89 Ca -0.19 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.13 2jmm n SER 89 Cb 0.63 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.42 2jmm n SER 89 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jmm s ASP 90 N -4.00 3.60 -0.59 4.04 -1.08 -1.26 -4.80 116.67 112.59 2jmm s ASP 90 Ca 0.00 -1.28 -0.26 0.00 -0.52 0.00 0.00 52.55 50.49 2jmm s ASP 90 Cb 0.00 -0.81 -0.06 0.00 -1.46 0.00 0.00 42.92 40.59 2jmm s ASP 90 CO 0.00 -0.35 2.18 -0.75 0.52 0.00 0.00 175.17 176.77 2jmm s LYS 91 N 1.67 2.27 -0.80 4.34 2.36 -1.26 -4.92 119.74 123.40 2jmm s LYS 91 Ca 0.04 0.93 -0.05 0.00 -2.55 0.00 0.00 55.97 54.33 2jmm s LYS 91 Cb -0.17 -4.56 0.20 0.00 -1.05 0.00 0.00 37.83 32.25 2jmm s LYS 91 CO -0.16 -3.20 0.69 0.34 1.55 0.00 0.00 175.35 174.56 2jmm s ASP 92 N 10.35 5.98 0.72 1.43 2.15 -1.26 -5.04 116.67 131.00 2jmm s ASP 92 Ca 0.84 -3.20 0.00 0.00 0.43 0.00 0.00 52.55 50.62 2jmm s ASP 92 Cb -0.14 -1.97 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 2jmm s ASP 92 CO 0.21 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.48 2jmm n GLY 93 N 3.09 0.66 3.36 2.66 0.00 -1.26 -4.40 105.19 109.30 2jmm n GLY 93 Ca 0.15 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 2jmm n GLY 93 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jmm n ASN 94 N -1.82 3.13 0.00 1.61 4.13 -1.26 -4.78 115.26 116.28 2jmm n ASN 94 Ca 0.00 -2.72 0.00 0.00 1.68 0.00 0.00 54.58 53.54 2jmm n ASN 94 Cb 0.00 -1.51 0.00 0.00 -1.54 0.00 0.00 39.78 36.73 2jmm n ASN 94 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jmm n GLY 95 N 5.20 1.66 2.53 7.41 0.00 -1.26 -5.07 105.19 115.67 2jmm n GLY 95 Ca 0.47 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 46.35 2jmm n GLY 95 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jmm n TYR 96 N -0.14 2.95 -4.91 1.61 4.01 -1.26 -4.41 117.16 115.01 2jmm n TYR 96 Ca 0.00 -3.10 -0.27 0.00 -0.16 0.00 0.00 57.90 54.37 2jmm n TYR 96 Cb 0.00 -0.16 -0.16 0.00 -0.31 0.00 0.00 39.34 38.71 2jmm n TYR 96 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2jmm s ILE 97 N -4.97 1.55 -0.22 -0.72 -0.00 -1.26 -5.10 121.20 110.47 2jmm s ILE 97 Ca 0.44 -0.77 -0.29 0.00 -0.00 0.00 0.00 60.65 60.03 2jmm s ILE 97 Cb 0.41 -1.34 0.15 0.00 -0.00 0.00 0.00 42.46 41.68 2jmm s ILE 97 CO -0.14 0.44 1.14 -0.55 -0.00 0.00 0.00 174.94 175.83 2jmm s SER 98 N 0.12 -0.26 -0.64 4.36 0.15 -1.26 -5.05 113.70 111.11 2jmm s SER 98 Ca -0.07 0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.96 2jmm s SER 98 Cb -0.13 0.29 0.16 0.00 -1.71 0.00 0.00 66.02 64.63 2jmm s SER 98 CO 0.03 -0.20 0.42 0.00 1.20 0.00 0.00 173.24 174.69 2jmm s ALA 99 N -0.79 3.65 -0.10 5.45 0.00 -1.26 -5.04 121.76 123.66 2jmm s ALA 99 Ca 0.03 -3.59 -0.10 0.00 0.00 0.00 0.00 51.96 48.30 2jmm s ALA 99 Cb -0.02 -2.26 0.03 0.00 0.00 0.00 0.00 23.12 20.87 2jmm s ALA 99 CO -0.04 -2.07 0.28 0.00 0.00 0.00 0.00 175.76 173.93 2jmm s ALA 100 N -0.90 -0.69 -0.59 0.00 0.00 -1.26 -5.12 121.76 113.20 2jmm s ALA 100 Ca 0.21 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.96 2jmm s ALA 100 Cb -0.14 -0.45 0.15 0.00 0.00 0.00 0.00 23.12 22.68 2jmm s ALA 100 CO -0.09 -0.13 0.37 -2.00 0.00 0.00 0.00 175.76 173.90 2jmm s GLU 101 N 0.13 2.30 3.80 0.00 2.12 -1.26 -5.07 118.70 120.72 2jmm s GLU 101 Ca -0.00 -2.65 0.00 0.00 0.36 0.00 0.00 54.97 52.68 2jmm s GLU 101 Cb -0.02 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.85 2jmm s GLU 101 CO 0.00 -1.15 0.00 0.00 -0.54 0.00 0.00 175.26 173.57 2jmm n ALA 102 N 3.17 0.00 -3.34 6.30 0.00 -1.26 -4.64 120.51 120.74 2jmm n ALA 102 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 2jmm n ALA 102 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 2jmm n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jmm s SER 103 N -4.00 0.40 -0.34 0.00 0.01 -1.26 -4.98 113.70 103.53 2jmm s SER 103 Ca 0.00 -0.04 0.03 0.00 1.31 0.00 0.00 55.95 57.24 2jmm s SER 103 Cb 0.00 1.07 0.10 0.00 0.21 0.00 0.00 66.02 67.40 2jmm s SER 103 CO 0.00 -0.32 0.07 -0.69 0.41 0.00 0.00 173.24 172.70 2jmm s VAL 104 N 2.53 1.88 -0.06 3.43 1.01 -1.26 -3.74 120.40 124.20 2jmm s VAL 104 Ca 0.11 -2.10 0.06 0.00 0.00 0.00 0.00 61.98 60.05 2jmm s VAL 104 Cb -0.14 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2jmm s VAL 104 CO -0.22 -0.63 -0.23 -0.94 0.00 0.00 0.00 175.10 173.09 2jmm s SER 105 N 1.08 3.29 -0.73 3.32 1.04 -1.26 -5.05 113.70 115.38 2jmm s SER 105 Ca 0.11 -0.44 -0.26 0.00 0.48 0.00 0.00 55.95 55.84 2jmm s SER 105 Cb -0.19 -0.81 -0.02 0.00 0.10 0.00 0.00 66.02 65.10 2jmm s SER 105 CO -0.13 0.27 1.81 -2.16 0.98 0.00 0.00 173.24 174.01 2jmm s PRO 106 N -0.29 2.70 0.02 4.02 0.04 -1.26 -3.95 135.00 136.28 2jmm s PRO 106 Ca 0.01 0.18 0.07 0.00 0.04 0.00 0.00 61.00 61.30 2jmm s PRO 106 Cb -0.13 -4.62 -0.03 0.00 0.04 0.00 0.00 34.50 29.77 2jmm s PRO 106 CO 0.03 -2.85 -0.20 0.14 0.04 0.00 0.00 177.00 174.16 2jmm s VAL 107 N 8.88 2.63 -0.02 -0.36 -7.23 0.53 -4.99 120.40 119.83 2jmm s VAL 107 Ca 0.64 -1.13 0.04 0.00 -1.81 0.00 0.00 61.98 59.71 2jmm s VAL 107 Cb -0.10 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 2jmm s VAL 107 CO 0.12 0.42 -0.13 0.72 -0.31 0.00 0.00 175.10 175.92 2jmm s PHE 108 N -0.83 1.22 -0.05 2.82 -0.71 -0.35 -1.46 117.98 118.62 2jmm s PHE 108 Ca 0.13 -0.27 0.04 0.00 -1.04 0.00 0.00 56.93 55.79 2jmm s PHE 108 Cb -0.10 -0.81 -0.00 0.00 -1.21 0.00 0.00 43.02 40.89 2jmm s PHE 108 CO 0.03 -0.06 -0.18 0.00 -1.34 0.00 0.00 175.22 173.66 2jmm s ALA 109 N -0.13 1.66 -0.52 1.99 0.00 0.10 -1.39 121.76 123.47 2jmm s ALA 109 Ca 0.02 -0.74 -0.12 0.00 0.00 0.00 0.00 51.96 51.12 2jmm s ALA 109 Cb -0.07 -0.57 0.13 0.00 0.00 0.00 0.00 23.12 22.61 2jmm s ALA 109 CO 0.00 0.28 0.42 0.20 0.00 0.00 0.00 175.76 176.67 2jmm s GLY 110 N 0.10 2.10 -0.30 0.00 0.00 -0.85 -0.64 107.32 107.72 2jmm s GLY 110 Ca -0.06 -2.60 -0.07 0.00 0.00 0.00 0.00 44.72 41.98 2jmm s GLY 110 CO 0.03 1.15 0.10 -0.32 0.00 0.00 0.00 173.10 174.06 2jmm s GLY 111 N 2.91 1.81 -0.10 0.20 0.00 0.28 -1.16 107.32 111.26 2jmm s GLY 111 Ca 0.06 -1.47 0.03 0.00 0.00 0.00 0.00 44.72 43.33 2jmm s GLY 111 CO 0.00 0.67 -0.19 0.14 0.00 0.00 0.00 173.10 173.72 2jmm s VAL 112 N 1.51 2.51 -0.33 1.40 1.01 0.63 -0.76 120.40 126.37 2jmm s VAL 112 Ca 0.03 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 2jmm s VAL 112 Cb -0.17 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.26 2jmm s VAL 112 CO 0.03 0.55 0.09 -1.61 0.00 0.00 0.00 175.10 174.16 2jmm s GLU 113 N 0.14 2.56 -0.20 2.72 0.41 0.22 -0.80 118.70 123.75 2jmm s GLU 113 Ca -0.10 -1.22 -0.06 0.00 -0.41 0.00 0.00 54.97 53.18 2jmm s GLU 113 Cb -0.16 -3.41 -0.03 0.00 -1.78 0.00 0.00 34.13 28.76 2jmm s GLU 113 CO 0.06 -0.67 0.02 -0.47 -0.49 0.00 0.00 175.26 173.70 2jmm s TYR 114 N 1.36 3.09 -0.10 1.61 5.04 0.29 0.03 117.35 128.67 2jmm s TYR 114 Ca -0.02 -0.31 0.01 0.00 -2.44 0.00 0.00 57.07 54.31 2jmm s TYR 114 Cb -0.20 -2.08 -0.02 0.00 0.35 0.00 0.00 41.96 40.01 2jmm s TYR 114 CO 0.02 -0.14 -0.14 0.08 -1.34 0.00 0.00 175.55 174.04 2jmm s VAL 115 N 0.84 3.03 0.02 3.14 1.01 0.72 -0.64 120.40 128.52 2jmm s VAL 115 Ca 0.01 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.39 2jmm s VAL 115 Cb -0.14 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2jmm s VAL 115 CO 0.02 0.55 -0.24 -0.63 0.00 0.00 0.00 175.10 174.80 2jmm s ILE 116 N 0.02 2.32 -0.71 2.22 1.01 -1.26 -2.58 121.20 122.22 2jmm s ILE 116 Ca -0.04 -1.22 -0.26 0.00 0.00 0.00 0.00 60.65 59.13 2jmm s ILE 116 Cb -0.14 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 2jmm s ILE 116 CO 0.04 0.44 1.83 -0.13 0.00 0.00 0.00 174.94 177.12 2jmm s ARG 117 N -1.06 2.68 0.09 2.79 0.52 -1.26 -4.97 118.95 117.73 2jmm s ARG 117 Ca 0.12 0.26 0.07 0.00 -0.52 0.00 0.00 55.73 55.66 2jmm s ARG 117 Cb -0.10 -4.58 -0.03 0.00 0.52 0.00 0.00 34.95 30.76 2jmm s ARG 117 CO 0.02 -2.84 -0.18 1.03 0.02 0.00 0.00 175.30 173.34 2jmm s ARG 118 N 6.88 1.01 0.22 3.54 0.52 -1.26 -5.07 118.95 124.80 2jmm s ARG 118 Ca 0.65 -1.08 -0.07 0.00 -0.52 0.00 0.00 55.73 54.70 2jmm s ARG 118 Cb -0.10 -1.19 0.28 0.00 0.52 0.00 0.00 34.95 34.46 2jmm s ARG 118 CO 0.14 0.27 1.83 0.00 0.02 0.00 0.00 175.30 177.56 2jmm h ARG 119 N 4.17 0.80 -3.32 3.54 3.08 -2.08 -3.35 114.38 117.22 2jmm h ARG 119 Ca -0.44 -0.05 -0.64 0.00 0.07 0.00 0.00 59.98 58.92 2jmm h ARG 119 Cb 1.18 -0.18 -0.41 0.00 0.08 0.00 0.00 29.97 30.64 2jmm h ARG 119 CO 0.40 0.53 -0.63 0.42 -1.07 0.00 0.00 179.97 179.62 2jmm s ILE 120 N -6.08 2.52 -0.55 2.04 1.01 -1.26 -5.01 121.20 113.87 2jmm s ILE 120 Ca -0.13 -3.36 0.02 0.00 0.00 0.00 0.00 60.65 57.19 2jmm s ILE 120 Cb 0.17 -2.74 0.14 0.00 0.01 0.00 0.00 42.46 40.04 2jmm s ILE 120 CO 0.77 -0.83 0.31 -0.89 0.00 0.00 0.00 174.94 174.30 2jmm s THR 121 N -0.36 2.89 -1.16 2.92 2.01 -1.26 -5.06 115.64 115.62 2jmm s THR 121 Ca 0.18 -3.22 -0.21 0.00 0.31 0.00 0.00 61.69 58.74 2jmm s THR 121 Cb -0.24 -2.96 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 2jmm s THR 121 CO -0.02 -0.82 1.82 -2.16 -0.69 0.00 0.00 174.62 172.75 2jmm s PRO 122 N -0.22 3.12 -0.83 4.92 0.04 -1.26 -4.41 135.00 136.35 2jmm s PRO 122 Ca 0.17 -1.32 -0.04 0.00 0.04 0.00 0.00 61.00 59.85 2jmm s PRO 122 Cb -0.24 -5.33 0.03 0.00 0.04 0.00 0.00 34.50 29.00 2jmm s PRO 122 CO -0.01 -3.13 0.17 0.39 0.04 0.00 0.00 177.00 174.46 2jmm n GLU 123 N 8.47 -2.68 -4.93 4.56 4.71 -1.26 -4.91 120.64 124.59 2jmm n GLU 123 Ca 0.44 0.34 -0.33 0.00 -0.01 0.00 0.00 57.16 57.61 2jmm n GLU 123 Cb 0.47 -4.94 -0.16 0.00 -1.01 0.00 0.00 31.44 25.81 2jmm n GLU 123 CO 0.00 0.00 0.00 -1.50 0.09 0.00 0.00 177.13 175.72 2jmm s ILE 124 N -2.54 2.61 0.17 -3.67 1.10 -1.26 -0.60 121.20 117.01 2jmm s ILE 124 Ca 0.16 -0.82 0.10 0.00 -0.51 0.00 0.00 60.65 59.59 2jmm s ILE 124 Cb -0.09 -2.06 -0.04 0.00 0.15 0.00 0.00 42.46 40.42 2jmm s ILE 124 CO 0.20 0.54 -0.23 0.00 -2.11 0.00 0.00 174.94 173.34 2jmm s ALA 125 N 0.39 2.32 -0.17 1.50 0.00 0.91 -4.89 121.76 121.81 2jmm s ALA 125 Ca -0.14 -1.54 -0.29 0.00 0.00 0.00 0.00 51.96 50.00 2jmm s ALA 125 Cb -0.17 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 2jmm s ALA 125 CO 0.06 0.40 0.99 0.99 0.00 0.00 0.00 175.76 178.21 2jmm s THR 126 N -1.58 4.75 -0.44 0.00 2.01 0.19 -0.40 115.64 120.17 2jmm s THR 126 Ca 0.17 1.97 -0.16 0.00 0.31 0.00 0.00 61.69 63.97 2jmm s THR 126 Cb -0.08 -4.28 0.04 0.00 0.01 0.00 0.00 72.50 68.19 2jmm s THR 126 CO 0.08 -0.08 0.40 -0.60 -0.69 0.00 0.00 174.62 173.73 2jmm s ARG 127 N 2.58 3.02 -0.24 4.92 3.00 0.56 -0.55 118.95 132.24 2jmm s ARG 127 Ca 0.45 -1.03 0.02 0.00 -1.00 0.00 0.00 55.73 54.17 2jmm s ARG 127 Cb -0.16 -4.03 0.06 0.00 0.00 0.00 0.00 34.95 30.81 2jmm s ARG 127 CO 0.12 -0.91 -0.10 -1.17 0.00 0.00 0.00 175.30 173.23 2jmm s LEU 128 N 1.90 3.08 -0.11 -0.88 0.20 0.02 -0.96 118.68 121.92 2jmm s LEU 128 Ca 0.08 -1.26 -0.00 0.00 0.69 0.00 0.00 54.13 53.63 2jmm s LEU 128 Cb -0.20 -1.44 0.02 0.00 -0.43 0.00 0.00 46.19 44.14 2jmm s LEU 128 CO 0.10 -0.18 -0.08 -0.70 -0.29 0.00 0.00 176.35 175.20 2jmm s GLU 129 N 1.20 1.57 -0.24 1.98 -6.30 0.44 -0.27 118.70 117.08 2jmm s GLU 129 Ca -0.07 -0.27 -0.03 0.00 -2.50 0.00 0.00 54.97 52.10 2jmm s GLU 129 Cb -0.19 -1.60 0.08 0.00 0.00 0.00 0.00 34.13 32.42 2jmm s GLU 129 CO -0.06 -0.25 0.07 -0.47 0.02 0.00 0.00 175.26 174.57 2jmm s TYR 130 N 1.65 1.07 0.10 5.30 5.04 -0.31 0.36 117.35 130.55 2jmm s TYR 130 Ca 0.04 -1.09 -0.12 0.00 -2.44 0.00 0.00 57.07 53.46 2jmm s TYR 130 Cb -0.13 -1.19 0.02 0.00 0.35 0.00 0.00 41.96 41.01 2jmm s TYR 130 CO -0.08 -0.72 0.28 -0.65 -1.34 0.00 0.00 175.55 173.05 2jmm s GLN 131 N 1.84 0.92 -0.42 4.97 1.11 -0.79 -2.01 119.66 125.28 2jmm s GLN 131 Ca 0.04 -0.80 -0.29 0.00 0.01 0.00 0.00 55.36 54.32 2jmm s GLN 131 Cb -0.17 0.39 0.02 0.00 -1.01 0.00 0.00 33.01 32.24 2jmm s GLN 131 CO -0.18 -0.32 1.22 -0.46 0.01 0.00 0.00 175.29 175.56 2jmm s TRP 132 N -3.66 2.74 -0.01 0.91 -0.11 -0.48 -1.71 118.94 116.63 2jmm s TRP 132 Ca 0.03 0.79 0.01 0.00 1.22 0.00 0.00 56.10 58.15 2jmm s TRP 132 Cb 0.03 -4.24 -0.01 0.00 -1.50 0.00 0.00 33.47 27.75 2jmm s TRP 132 CO -0.10 -1.43 0.02 0.25 -4.62 0.00 0.00 176.95 171.06 2jmm n THR 133 N 6.69 0.00 -2.86 5.86 -2.24 -1.25 -1.21 114.28 119.27 2jmm n THR 133 Ca 0.13 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2jmm n THR 133 Cb 0.48 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 2jmm n THR 133 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2jmm n ASN 134 N -1.45 0.00 -1.40 3.42 0.23 -1.26 -4.89 115.26 109.91 2jmm n ASN 134 Ca -0.00 -0.65 0.00 0.00 -0.53 0.00 0.00 54.58 53.40 2jmm n ASN 134 Cb 0.02 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 2jmm n ASN 134 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2jmm n ASN 135 N -0.51 -7.55 -0.01 0.53 3.02 -1.26 -4.76 115.26 104.72 2jmm n ASN 135 Ca 0.00 1.65 -0.02 0.00 -0.03 0.00 0.00 54.58 56.18 2jmm n ASN 135 Cb 0.00 -4.40 -0.01 0.00 -0.61 0.00 0.00 39.78 34.76 2jmm n ASN 135 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jmm n ALA 136 N -2.42 0.87 -3.33 5.41 0.00 -1.26 -4.83 120.51 114.94 2jmm n ALA 136 Ca 0.00 -0.30 -0.45 0.00 0.00 0.00 0.00 53.44 52.69 2jmm n ALA 136 Cb 0.41 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 2jmm n ALA 136 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jmm s SER 137 N -4.66 7.21 -0.27 0.00 0.15 -1.26 -4.91 113.70 109.95 2jmm s SER 137 Ca -0.06 -3.40 -0.26 0.00 0.70 0.00 0.00 55.95 52.94 2jmm s SER 137 Cb 0.01 -2.21 0.14 0.00 -1.71 0.00 0.00 66.02 62.25 2jmm s SER 137 CO 0.08 -0.35 1.15 -0.62 1.20 0.00 0.00 173.24 174.69 2jmm s ASP 138 N 1.52 -0.32 -1.20 5.45 -1.08 -1.26 -4.77 116.67 115.01 2jmm s ASP 138 Ca 0.28 0.59 -0.19 0.00 -0.52 0.00 0.00 52.55 52.71 2jmm s ASP 138 Cb -0.10 0.59 0.07 0.00 -1.46 0.00 0.00 42.92 42.02 2jmm s ASP 138 CO -0.08 -0.13 1.63 0.20 0.52 0.00 0.00 175.17 177.30 2jmm s ASN 139 N -0.02 6.74 0.89 -0.34 0.01 -1.26 -4.89 114.94 116.06 2jmm s ASN 139 Ca 0.04 -2.15 0.00 0.00 -0.71 0.00 0.00 52.86 50.04 2jmm s ASN 139 Cb -0.04 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.05 2jmm s ASN 139 CO -0.08 -1.26 0.00 0.61 -1.51 0.00 0.00 177.10 174.86 2jmm n GLY 140 N 5.83 -0.24 3.01 0.66 0.00 -1.26 -4.80 105.19 108.38 2jmm n GLY 140 Ca 0.43 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 1.22 -0.36 1.61 -1.94 -0.69 -4.73 119.30 114.41 2jmm s MET 141 Ca 0.00 -0.35 -0.04 0.00 -1.71 0.00 0.00 55.69 53.59 2jmm s MET 141 Cb 0.00 -1.09 0.08 0.00 2.01 0.00 0.00 34.83 35.82 2jmm s MET 141 CO 0.00 0.10 0.13 -0.48 -0.01 0.00 0.00 175.02 174.75 2jmm s LEU 142 N 0.34 4.66 -0.23 -0.03 2.34 -0.55 -1.89 118.68 123.32 2jmm s LEU 142 Ca -0.07 -1.60 -0.09 0.00 0.06 0.00 0.00 54.13 52.43 2jmm s LEU 142 Cb -0.11 -1.81 -0.04 0.00 -0.56 0.00 0.00 46.19 43.67 2jmm s LEU 142 CO 0.01 -0.42 0.12 -0.44 -1.06 0.00 0.00 176.35 174.56 2jmm s SER 143 N 1.60 5.78 -0.02 1.48 0.01 0.16 -0.33 113.70 122.37 2jmm s SER 143 Ca 0.02 0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.34 2jmm s SER 143 Cb -0.21 -2.03 -0.00 0.00 0.21 0.00 0.00 66.02 63.99 2jmm s SER 143 CO -0.02 0.07 -0.11 -1.48 0.41 0.00 0.00 173.24 172.12 2jmm s LEU 144 N 1.01 1.87 0.00 2.44 0.05 0.07 -0.42 118.68 123.70 2jmm s LEU 144 Ca 0.06 -0.22 0.00 0.00 0.05 0.00 0.00 54.13 54.02 2jmm s LEU 144 Cb -0.14 -0.62 0.00 0.00 -2.05 0.00 0.00 46.19 43.38 2jmm s LEU 144 CO 0.04 0.10 0.00 0.61 -0.55 0.00 0.00 176.35 176.54 2jmm n GLY 145 N 3.14 -0.73 3.29 -3.48 0.00 -0.13 -0.35 105.19 106.92 2jmm n GLY 145 Ca -0.17 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 1.95 -0.04 1.61 -7.23 -0.19 -0.32 120.40 113.17 2jmm s VAL 146 Ca 0.00 -1.06 0.05 0.00 -1.81 0.00 0.00 61.98 59.16 2jmm s VAL 146 Cb 0.00 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.31 2jmm s VAL 146 CO 0.00 0.55 -0.20 -0.55 -0.31 0.00 0.00 175.10 174.58 2jmm s SER 147 N -0.59 2.51 -0.10 4.85 0.15 0.46 -0.61 113.70 120.37 2jmm s SER 147 Ca 0.10 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2jmm s SER 147 Cb -0.10 -0.62 -0.02 0.00 -1.71 0.00 0.00 66.02 63.57 2jmm s SER 147 CO -0.01 0.20 -0.09 -0.47 1.20 0.00 0.00 173.24 174.07 2jmm s TYR 148 N -0.13 2.88 -0.13 3.44 6.14 0.91 -0.06 117.35 130.41 2jmm s TYR 148 Ca -0.02 -0.25 -0.19 0.00 0.64 0.00 0.00 57.07 57.26 2jmm s TYR 148 Cb -0.12 -1.78 -0.04 0.00 0.42 0.00 0.00 41.96 40.44 2jmm s TYR 148 CO 0.02 0.09 0.52 0.50 0.64 0.00 0.00 175.55 177.32 2jmm s ARG 149 N -0.24 4.32 -0.39 4.97 3.52 0.23 -0.60 118.95 130.76 2jmm s ARG 149 Ca 0.03 0.51 -0.11 0.00 -0.13 0.00 0.00 55.73 56.02 2jmm s ARG 149 Cb -0.13 -3.47 0.01 0.00 -1.56 0.00 0.00 34.95 29.81 2jmm s ARG 149 CO 0.03 0.07 0.43 1.19 -0.81 0.00 0.00 175.30 176.21 2jmm n PHE 150 N 3.94 -3.65 0.00 5.12 3.01 0.11 -4.89 117.46 121.11 2jmm n PHE 150 Ca -0.06 1.52 0.00 0.00 1.01 0.00 0.00 57.45 59.92 2jmm n PHE 150 Cb 0.51 -4.08 0.00 0.00 -0.01 0.00 0.00 39.48 35.91 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 -0.01 -0.59 3.57 1.37 0.00 -1.26 -4.86 105.19 103.41 2jmm n GLY 151 Ca 0.09 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 2jmm n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jmm n GLN 152 N 0.00 1.17 -2.76 1.61 10.64 -1.26 -4.62 117.38 122.15 2jmm n GLN 152 Ca 0.00 -2.23 0.01 0.00 -1.83 0.00 0.00 57.00 52.94 2jmm n GLN 152 Cb 0.00 -3.77 0.01 0.00 -0.86 0.00 0.00 30.24 25.63 2jmm n GLN 152 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2jmm s GLY 153 N 7.02 -1.62 -0.05 2.61 0.00 -1.26 -5.17 107.32 108.86 2jmm s GLY 153 Ca 0.72 1.05 0.05 0.00 0.00 0.00 0.00 44.72 46.54 2jmm s GLY 153 CO 0.15 4.27 -0.20 1.85 0.00 0.00 0.00 173.10 179.17 2jmm s GLU 154 N 1.72 2.05 -0.80 2.90 2.12 -1.26 -5.08 118.70 120.34 2jmm s GLU 154 Ca 0.17 -0.73 -0.25 0.00 0.36 0.00 0.00 54.97 54.52 2jmm s GLU 154 Cb 0.05 -1.78 -0.02 0.00 0.26 0.00 0.00 34.13 32.64 2jmm s GLU 154 CO -0.13 0.31 1.80 0.00 -0.54 0.00 0.00 175.26 176.70 2jmm s ALA 155 N -0.08 2.05 -0.40 6.30 0.00 -1.26 -5.28 121.76 123.08 2jmm s ALA 155 Ca -0.03 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.68 2jmm s ALA 155 Cb -0.12 -4.44 0.03 0.00 0.00 0.00 0.00 23.12 18.59 2jmm s ALA 155 CO 0.02 -4.23 0.60 0.00 0.00 0.00 0.00 175.76 172.15