#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 2.93 0.00 0.03 0.04 -1.26 -4.18 135.00 132.57 2jmm s PRO 2 Ca 0.00 -0.91 0.00 0.00 0.04 0.00 0.00 61.00 60.13 2jmm s PRO 2 Cb 0.00 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.31 2jmm s PRO 2 CO 0.00 -3.16 0.06 1.17 0.04 0.00 0.00 177.00 175.11 2jmm n LYS 3 N 8.65 0.00 -0.05 4.56 4.81 -0.87 -4.62 118.16 130.65 2jmm n LYS 3 Ca 0.41 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.69 2jmm n LYS 3 Cb 0.48 -0.39 -0.06 0.00 0.02 0.00 0.00 35.03 35.07 2jmm n LYS 3 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2jmm h ASP 4 N 0.00 0.85 -3.30 3.14 3.58 -1.70 -3.48 116.42 115.52 2jmm h ASP 4 Ca 0.00 -0.59 -0.41 0.00 0.42 0.00 0.00 57.03 56.45 2jmm h ASP 4 Cb 0.00 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 2jmm h ASP 4 CO 0.00 1.29 -0.54 -3.20 -2.88 0.00 0.00 179.24 173.91 2jmm n ASN 5 N -4.07 -5.91 -4.29 2.28 5.15 -0.09 -4.89 115.26 103.44 2jmm n ASN 5 Ca -0.06 -0.06 -0.36 0.00 -0.60 0.00 0.00 54.58 53.49 2jmm n ASN 5 Cb 0.65 -4.90 -0.13 0.00 -0.53 0.00 0.00 39.78 34.87 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 -3.06 3.55 -0.02 -0.44 -1.32 -0.53 -4.94 115.64 108.87 2jmm s THR 6 Ca 0.06 -0.84 0.01 0.00 -1.21 0.00 0.00 61.69 59.70 2jmm s THR 6 Cb -0.02 -2.83 0.02 0.00 -1.51 0.00 0.00 72.50 68.15 2jmm s THR 6 CO 0.07 0.11 -0.02 -1.66 -2.21 0.00 0.00 174.62 170.91 2jmm s TRP 7 N 1.43 0.41 0.00 9.09 1.48 -1.26 -0.61 118.94 129.48 2jmm s TRP 7 Ca 0.01 -0.06 0.00 0.00 -1.06 0.00 0.00 56.10 54.99 2jmm s TRP 7 Cb -0.17 -0.39 0.00 0.00 -1.16 0.00 0.00 33.47 31.75 2jmm s TRP 7 CO -0.00 -0.09 0.00 0.98 -4.06 0.00 0.00 176.95 173.77 2jmm n TYR 8 N 3.69 0.00 -3.52 1.66 9.36 -0.42 -0.75 117.16 127.18 2jmm n TYR 8 Ca -0.22 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 60.87 2jmm n TYR 8 Cb 0.53 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.20 2jmm n TYR 8 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2jmm s THR 9 N 0.00 0.00 0.00 2.97 -1.32 -0.75 -0.87 115.64 115.67 2jmm s THR 9 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2jmm s THR 9 Cb 0.00 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2jmm s THR 9 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2jmm n GLY 10 N 0.47 4.10 3.64 6.08 0.00 0.74 -0.71 105.19 119.51 2jmm n GLY 10 Ca -0.15 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.01 -1.89 0.05 4.61 0.00 0.37 -0.45 121.76 122.44 2jmm s ALA 11 Ca 0.00 2.35 -0.28 0.00 0.00 0.00 0.00 51.96 54.03 2jmm s ALA 11 Cb 0.00 -1.41 0.10 0.00 0.00 0.00 0.00 23.12 21.81 2jmm s ALA 11 CO 0.00 -0.37 1.15 0.21 0.00 0.00 0.00 175.76 176.75 2jmm s LYS 12 N 1.42 0.71 0.18 0.00 2.47 -0.25 -2.23 119.74 122.04 2jmm s LYS 12 Ca -0.08 -0.39 0.05 0.00 -1.56 0.00 0.00 55.97 53.98 2jmm s LYS 12 Cb -0.05 0.25 -0.05 0.00 -1.46 0.00 0.00 37.83 36.52 2jmm s LYS 12 CO -0.16 -0.33 -0.08 -0.48 0.16 0.00 0.00 175.35 174.46 2jmm s LEU 13 N -2.94 2.45 0.21 5.43 2.34 -0.53 -1.43 118.68 124.20 2jmm s LEU 13 Ca 0.13 -1.07 0.12 0.00 0.06 0.00 0.00 54.13 53.36 2jmm s LEU 13 Cb 0.02 -0.39 -0.05 0.00 -0.56 0.00 0.00 46.19 45.22 2jmm s LEU 13 CO -0.02 -0.35 -0.23 -0.83 -1.06 0.00 0.00 176.35 173.86 2jmm s GLY 14 N -3.24 1.75 -0.04 -3.48 0.00 -1.26 -1.63 107.32 99.42 2jmm s GLY 14 Ca 0.21 -1.70 0.06 0.00 0.00 0.00 0.00 44.72 43.30 2jmm s GLY 14 CO 0.04 -1.74 -0.23 -0.98 0.00 0.00 0.00 173.10 170.19 2jmm s TRP 15 N -1.87 2.20 0.15 1.90 0.52 0.44 -4.93 118.94 117.35 2jmm s TRP 15 Ca 0.23 -0.57 0.10 0.00 0.02 0.00 0.00 56.10 55.88 2jmm s TRP 15 Cb -0.07 -1.44 -0.04 0.00 -1.15 0.00 0.00 33.47 30.77 2jmm s TRP 15 CO 0.11 -0.14 -0.18 0.45 0.02 0.00 0.00 176.95 177.21 2jmm s SER 16 N -0.27 3.85 -1.16 2.95 0.15 -1.26 -0.01 113.70 117.94 2jmm s SER 16 Ca 0.01 -0.63 -0.22 0.00 0.70 0.00 0.00 55.95 55.81 2jmm s SER 16 Cb -0.12 -0.51 -0.07 0.00 -1.71 0.00 0.00 66.02 63.61 2jmm s SER 16 CO 0.02 0.15 1.91 0.00 1.20 0.00 0.00 173.24 176.52 2jmm n GLN 17 N 0.53 1.84 -3.64 5.44 1.13 -1.14 -4.84 117.38 116.70 2jmm n GLN 17 Ca -0.14 -2.52 -0.14 0.00 -1.94 0.00 0.00 57.00 52.26 2jmm n GLN 17 Cb 0.54 -3.60 -0.07 0.00 0.11 0.00 0.00 30.24 27.21 2jmm n GLN 17 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2jmm s TYR 18 N 9.30 -0.76 0.17 1.08 5.04 -1.26 -4.98 117.35 125.94 2jmm s TYR 18 Ca 0.65 1.84 -0.10 0.00 -2.44 0.00 0.00 57.07 57.02 2jmm s TYR 18 Cb 0.02 0.27 0.05 0.00 0.35 0.00 0.00 41.96 42.65 2jmm s TYR 18 CO 0.12 -0.37 1.62 0.77 -1.34 0.00 0.00 175.55 176.36 2jmm h SER 19 N 5.16 1.02 -1.25 4.32 0.02 -2.07 -3.41 113.55 117.34 2jmm h SER 19 Ca -0.29 -0.32 -0.51 0.00 -0.84 0.00 0.00 61.79 59.84 2jmm h SER 19 Cb 1.17 -0.28 -0.08 0.00 0.14 0.00 0.00 62.40 63.35 2jmm h SER 19 CO 0.08 1.09 1.24 -0.13 -1.14 0.00 0.00 176.83 177.97 2jmm s ARG 20 N -4.98 3.21 -0.07 3.45 0.52 -1.26 -4.95 118.95 114.87 2jmm s ARG 20 Ca -0.12 -0.68 0.04 0.00 -0.52 0.00 0.00 55.73 54.45 2jmm s ARG 20 Cb 0.13 -5.05 0.00 0.00 0.52 0.00 0.00 34.95 30.55 2jmm s ARG 20 CO 0.85 -2.53 -0.18 -1.83 0.02 0.00 0.00 175.30 171.64 2jmm s GLU 21 N 5.73 2.24 0.00 3.54 4.04 -1.26 -5.14 118.70 127.84 2jmm s GLU 21 Ca 0.52 -0.65 0.00 0.00 0.04 0.00 0.00 54.97 54.88 2jmm s GLU 21 Cb -0.04 -1.79 0.00 0.00 0.02 0.00 0.00 34.13 32.32 2jmm s GLU 21 CO -0.02 0.15 0.00 0.09 -1.84 0.00 0.00 175.26 173.64 2jmm n ASN 22 N 3.51 0.83 -4.09 0.83 4.13 -1.26 -5.05 115.26 114.17 2jmm n ASN 22 Ca -0.20 -0.31 -0.39 0.00 1.68 0.00 0.00 54.58 55.36 2jmm n ASN 22 Cb 0.52 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.73 2jmm n ASN 22 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 2jmm n GLN 23 N 0.00 2.22 -3.46 3.52 7.27 -1.26 -4.76 117.38 120.92 2jmm n GLN 23 Ca 0.00 -2.49 -0.21 0.00 0.07 0.00 0.00 57.00 54.37 2jmm n GLN 23 Cb 0.00 -3.33 -0.12 0.00 2.41 0.00 0.00 30.24 29.20 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 4.48 0.02 0.00 1.69 0.20 -1.26 -5.11 118.68 118.69 2jmm s LEU 24 Ca 0.57 -0.85 0.00 0.00 0.69 0.00 0.00 54.13 54.54 2jmm s LEU 24 Cb 0.08 0.22 0.00 0.00 -0.43 0.00 0.00 46.19 46.06 2jmm s LEU 24 CO 0.07 -0.40 0.00 0.61 -0.29 0.00 0.00 176.35 176.34 2jmm n GLY 25 N 5.29 -0.59 2.93 7.98 0.00 -1.26 -5.08 105.19 114.47 2jmm n GLY 25 Ca -0.04 -0.68 -0.00 0.00 0.00 0.00 0.00 46.02 45.30 2jmm n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmm n ALA 26 N 0.00 -2.70 -2.72 4.61 0.00 -1.26 -5.05 120.51 113.39 2jmm n ALA 26 Ca 0.00 0.42 -0.31 0.00 0.00 0.00 0.00 53.44 53.55 2jmm n ALA 26 Cb 0.00 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 2jmm n ALA 26 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jmm s GLY 27 N -1.16 1.96 -0.26 0.00 0.00 -0.52 -4.94 107.32 102.40 2jmm s GLY 27 Ca -0.02 -1.03 -0.09 0.00 0.00 0.00 0.00 44.72 43.57 2jmm s GLY 27 CO 0.40 -0.99 0.14 0.00 0.00 0.00 0.00 173.10 172.65 2jmm s ALA 28 N -1.29 3.40 -0.20 3.20 0.00 -0.66 -1.09 121.76 125.11 2jmm s ALA 28 Ca 0.26 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2jmm s ALA 28 Cb -0.12 -2.28 0.05 0.00 0.00 0.00 0.00 23.12 20.76 2jmm s ALA 28 CO 0.18 -0.45 -0.08 -0.06 0.00 0.00 0.00 175.76 175.36 2jmm s PHE 29 N 1.55 2.25 0.23 0.00 0.40 0.40 0.28 117.98 123.10 2jmm s PHE 29 Ca 0.07 -1.53 0.00 0.00 -0.60 0.00 0.00 56.93 54.87 2jmm s PHE 29 Cb -0.15 -1.55 -0.00 0.00 0.51 0.00 0.00 43.02 41.83 2jmm s PHE 29 CO 0.07 -0.72 0.02 0.41 0.70 0.00 0.00 175.22 175.69 2jmm n GLY 30 N 4.72 3.84 0.00 4.36 0.00 0.70 -0.19 105.19 118.63 2jmm n GLY 30 Ca -0.13 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.67 2jmm n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jmm n GLY 31 N 1.78 0.02 2.88 -0.02 0.00 -0.05 -0.22 105.19 109.58 2jmm n GLY 31 Ca -0.08 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 2jmm n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jmm s TYR 32 N -0.18 2.35 -0.77 1.61 1.51 -0.00 -1.30 117.35 120.57 2jmm s TYR 32 Ca 0.00 -1.93 0.01 0.00 -1.01 0.00 0.00 57.07 54.14 2jmm s TYR 32 Cb 0.00 -1.85 0.19 0.00 -0.11 0.00 0.00 41.96 40.19 2jmm s TYR 32 CO 0.00 -0.83 0.60 -0.65 -1.11 0.00 0.00 175.55 173.56 2jmm s GLN 33 N 1.40 2.80 0.09 -0.62 -1.52 0.22 -1.27 119.66 120.77 2jmm s GLN 33 Ca 0.03 -3.17 0.00 0.00 -1.95 0.00 0.00 55.36 50.27 2jmm s GLN 33 Cb -0.18 -3.69 0.00 0.00 -0.22 0.00 0.00 33.01 28.92 2jmm s GLN 33 CO -0.13 -1.25 0.00 0.28 -0.25 0.00 0.00 175.29 173.95 2jmm n VAL 34 N 2.40 0.60 -1.88 1.09 0.31 -1.26 -0.91 118.33 118.67 2jmm n VAL 34 Ca 0.18 0.20 -0.41 0.00 -0.01 0.00 0.00 64.34 64.30 2jmm n VAL 34 Cb 0.36 -1.12 -0.01 0.00 -0.91 0.00 0.00 33.84 32.16 2jmm n VAL 34 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2jmm s ASN 35 N -5.39 6.46 0.00 4.52 3.84 -1.25 -2.04 114.94 121.07 2jmm s ASN 35 Ca 0.00 2.94 -0.00 0.00 0.21 0.00 0.00 52.86 56.00 2jmm s ASN 35 Cb 0.00 -2.66 -0.02 0.00 -0.55 0.00 0.00 41.25 38.02 2jmm s ASN 35 CO 0.00 -0.80 1.50 -0.81 -2.79 0.00 0.00 177.10 174.21 2jmm n PRO 36 N 0.86 0.76 0.14 0.43 -0.04 -1.26 -3.58 135.00 132.30 2jmm n PRO 36 Ca 0.02 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2jmm n PRO 36 Cb 0.40 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 1.77 -3.69 -4.94 0.54 4.19 -1.24 -4.40 117.16 109.39 2jmm n TYR 37 Ca 0.03 0.94 -0.27 0.00 3.31 0.00 0.00 57.90 61.92 2jmm n TYR 37 Cb 0.37 2.53 -0.16 0.00 0.49 0.00 0.00 39.34 42.58 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 -2.00 1.57 0.09 2.97 1.01 -1.23 -1.35 120.40 121.46 2jmm s VAL 38 Ca 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.21 2jmm s VAL 38 Cb 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 2jmm s VAL 38 CO 0.00 0.45 -0.10 -0.83 0.00 0.00 0.00 175.10 174.62 2jmm s GLY 39 N -0.11 0.80 -0.21 4.51 0.00 -0.46 -3.85 107.32 108.00 2jmm s GLY 39 Ca -0.01 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 43.59 2jmm s GLY 39 CO 0.02 -1.20 -0.13 -0.12 0.00 0.00 0.00 173.10 171.67 2jmm s PHE 40 N -2.30 2.77 -0.10 1.90 5.36 -0.39 -0.36 117.98 124.86 2jmm s PHE 40 Ca 0.03 -1.84 -0.01 0.00 -0.96 0.00 0.00 56.93 54.15 2jmm s PHE 40 Cb -0.04 -1.80 0.03 0.00 -0.34 0.00 0.00 43.02 40.87 2jmm s PHE 40 CO -0.00 -0.80 -0.04 -2.00 -1.46 0.00 0.00 175.22 170.91 2jmm s GLU 41 N 1.28 1.15 -0.09 10.12 -6.30 -0.46 -0.82 118.70 123.57 2jmm s GLU 41 Ca -0.02 -0.11 0.01 0.00 -2.50 0.00 0.00 54.97 52.34 2jmm s GLU 41 Cb -0.17 -1.35 -0.02 0.00 0.00 0.00 0.00 34.13 32.59 2jmm s GLU 41 CO -0.08 -0.28 -0.10 -1.64 0.02 0.00 0.00 175.26 173.17 2jmm s MET 42 N 1.81 3.01 0.08 4.30 -1.94 0.70 -0.73 119.30 126.53 2jmm s MET 42 Ca 0.05 -0.62 0.08 0.00 -1.71 0.00 0.00 55.69 53.49 2jmm s MET 42 Cb -0.12 -2.60 -0.04 0.00 2.01 0.00 0.00 34.83 34.08 2jmm s MET 42 CO -0.07 0.46 -0.17 0.20 -0.01 0.00 0.00 175.02 175.43 2jmm s GLY 43 N -0.28 1.65 0.01 -0.03 0.00 0.75 -0.22 107.32 109.21 2jmm s GLY 43 Ca 0.03 -1.27 0.03 0.00 0.00 0.00 0.00 44.72 43.52 2jmm s GLY 43 CO 0.03 -1.20 -0.11 -0.19 0.00 0.00 0.00 173.10 171.63 2jmm s TYR 44 N -1.05 0.94 -0.15 1.90 2.02 0.14 0.23 117.35 121.40 2jmm s TYR 44 Ca 0.17 -0.26 -0.00 0.00 -0.37 0.00 0.00 57.07 56.60 2jmm s TYR 44 Cb -0.11 -0.58 0.03 0.00 -0.40 0.00 0.00 41.96 40.90 2jmm s TYR 44 CO 0.08 -0.01 -0.10 0.34 -1.57 0.00 0.00 175.55 174.30 2jmm s ASP 45 N -0.68 2.62 0.03 2.29 -1.08 0.55 -1.65 116.67 118.76 2jmm s ASP 45 Ca 0.01 -0.50 0.05 0.00 -0.52 0.00 0.00 52.55 51.59 2jmm s ASP 45 Cb -0.06 -1.02 -0.03 0.00 -1.46 0.00 0.00 42.92 40.35 2jmm s ASP 45 CO 0.00 -0.11 -0.10 0.26 0.52 0.00 0.00 175.17 175.74 2jmm s TRP 46 N 1.58 2.78 -1.24 -5.34 0.51 -1.26 -0.71 118.94 115.26 2jmm s TRP 46 Ca 0.03 -0.11 -0.09 0.00 -2.12 0.00 0.00 56.10 53.81 2jmm s TRP 46 Cb -0.14 -1.55 0.19 0.00 -0.81 0.00 0.00 33.47 31.17 2jmm s TRP 46 CO -0.09 0.35 1.76 -0.11 -0.51 0.00 0.00 176.95 178.34 2jmm n LEU 47 N 1.44 6.45 0.00 2.99 -0.00 -1.26 -4.82 117.00 121.80 2jmm n LEU 47 Ca -0.15 -4.72 0.00 0.00 -0.00 0.00 0.00 56.01 51.14 2jmm n LEU 47 Cb 0.52 -1.46 0.00 0.00 -0.00 0.00 0.00 43.42 42.48 2jmm n LEU 47 CO 0.30 1.36 0.00 0.61 -0.00 0.00 0.00 177.39 179.66 2jmm n GLY 48 N 2.71 0.07 0.00 -3.96 0.00 -1.20 -3.05 105.19 99.76 2jmm n GLY 48 Ca 0.37 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 0.00 -0.13 1.61 1.74 -1.26 -4.87 116.66 113.74 2jmm n ARG 49 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 2jmm n ARG 49 Cb 0.00 0.00 0.36 0.00 -1.02 0.00 0.00 32.46 31.80 2jmm n ARG 49 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 2jmm h MET 50 N 0.00 0.72 -5.99 5.56 4.05 -2.03 -3.38 114.93 113.86 2jmm h MET 50 Ca 0.00 -0.04 -0.61 0.00 -0.28 0.00 0.00 59.70 58.76 2jmm h MET 50 Cb 0.00 -0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 30.58 2jmm h MET 50 CO 0.00 0.48 -0.25 -1.25 0.23 0.00 0.00 176.91 176.12 2jmm s PRO 51 N -5.65 3.82 -0.33 0.39 0.04 -1.26 -5.07 135.00 126.94 2jmm s PRO 51 Ca -0.09 0.28 -0.01 0.00 0.04 0.00 0.00 61.00 61.21 2jmm s PRO 51 Cb 0.18 -3.16 0.12 0.00 0.04 0.00 0.00 34.50 31.69 2jmm s PRO 51 CO 0.76 0.67 0.19 0.50 0.04 0.00 0.00 177.00 179.16 2jmm s ARG 52 N -1.30 0.40 0.00 4.56 3.52 -1.17 -3.25 118.95 121.71 2jmm s ARG 52 Ca 0.25 -0.96 0.00 0.00 -0.13 0.00 0.00 55.73 54.90 2jmm s ARG 52 Cb -0.15 -1.20 0.00 0.00 -1.56 0.00 0.00 34.95 32.04 2jmm s ARG 52 CO 0.14 -1.13 0.00 1.17 -0.81 0.00 0.00 175.30 174.67 2jmm n LYS 53 N 4.57 0.00 -0.15 5.12 0.00 -1.17 -4.88 118.16 121.65 2jmm n LYS 53 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.32 2jmm n LYS 53 Cb 0.40 -0.02 0.04 0.00 0.00 0.00 0.00 35.03 35.45 2jmm n LYS 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jmm h ALA 54 N -2.00 0.37 -4.71 3.14 0.00 -1.96 -3.46 119.26 110.64 2jmm h ALA 54 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jmm h ALA 54 Cb 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2jmm h ALA 54 CO 0.00 -0.42 -0.95 0.94 0.00 0.00 0.00 179.25 178.82 2jmm n GLN 55 N -5.29 -4.85 -5.24 0.00 0.00 -1.26 -4.21 117.38 96.53 2jmm n GLN 55 Ca 0.04 3.52 -0.31 0.00 -0.00 0.00 0.00 57.00 60.25 2jmm n GLN 55 Cb 0.26 -4.47 -0.17 0.00 0.00 0.00 0.00 30.24 25.86 2jmm n GLN 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2jmm s GLY 56 N -0.56 1.29 -0.00 1.69 0.00 0.11 -2.96 107.32 106.87 2jmm s GLY 56 Ca -0.01 -1.03 0.08 0.00 0.00 0.00 0.00 44.72 43.76 2jmm s GLY 56 CO 0.03 -0.60 -0.24 0.54 0.00 0.00 0.00 173.10 172.83 2jmm s VAL 57 N -0.10 2.24 -0.02 1.40 0.11 0.37 -0.33 120.40 124.07 2jmm s VAL 57 Ca -0.05 -1.13 0.08 0.00 -2.93 0.00 0.00 61.98 57.94 2jmm s VAL 57 Cb -0.14 -1.82 -0.02 0.00 -1.53 0.00 0.00 36.38 32.87 2jmm s VAL 57 CO 0.04 0.52 -0.25 -1.10 -3.33 0.00 0.00 175.10 170.98 2jmm s GLN 58 N -0.82 2.02 -0.20 1.54 -0.21 0.14 -0.02 119.66 122.10 2jmm s GLN 58 Ca 0.11 -0.91 0.01 0.00 0.02 0.00 0.00 55.36 54.59 2jmm s GLN 58 Cb -0.10 -1.97 0.04 0.00 1.00 0.00 0.00 33.01 31.98 2jmm s GLN 58 CO 0.00 0.54 -0.11 -0.48 -2.12 0.00 0.00 175.29 173.12 2jmm s LEU 59 N -0.63 2.35 -0.05 2.90 2.34 0.59 -0.18 118.68 126.00 2jmm s LEU 59 Ca 0.10 -0.90 0.02 0.00 0.06 0.00 0.00 54.13 53.41 2jmm s LEU 59 Cb -0.10 -1.28 0.01 0.00 -0.56 0.00 0.00 46.19 44.27 2jmm s LEU 59 CO -0.01 -0.14 -0.10 0.42 -1.06 0.00 0.00 176.35 175.46 2jmm s THR 60 N 1.37 0.96 -0.18 5.48 -4.23 0.09 -0.94 115.64 118.19 2jmm s THR 60 Ca -0.01 -0.40 -0.01 0.00 -1.18 0.00 0.00 61.69 60.08 2jmm s THR 60 Cb -0.16 -0.88 -0.00 0.00 1.34 0.00 0.00 72.50 72.79 2jmm s THR 60 CO -0.08 0.31 -0.11 0.00 -0.54 0.00 0.00 174.62 174.19 2jmm s ALA 61 N 0.55 2.62 -0.56 3.99 0.00 0.45 -1.36 121.76 127.45 2jmm s ALA 61 Ca -0.11 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 50.48 2jmm s ALA 61 Cb -0.14 -1.40 0.03 0.00 0.00 0.00 0.00 23.12 21.61 2jmm s ALA 61 CO 0.02 -0.19 1.23 0.21 0.00 0.00 0.00 175.76 177.04 2jmm s LYS 62 N 1.06 3.50 -0.28 0.00 2.36 0.51 -1.28 119.74 125.62 2jmm s LYS 62 Ca -0.00 0.33 0.02 0.00 -2.55 0.00 0.00 55.97 53.76 2jmm s LYS 62 Cb -0.15 -4.02 0.06 0.00 -1.05 0.00 0.00 37.83 32.67 2jmm s LYS 62 CO -0.02 -1.69 -0.07 -0.51 1.55 0.00 0.00 175.35 174.61 2jmm s LEU 63 N 5.09 3.70 0.00 5.43 1.02 -0.12 -1.36 118.68 132.45 2jmm s LEU 63 Ca 0.45 -1.46 0.00 0.00 0.02 0.00 0.00 54.13 53.14 2jmm s LEU 63 Cb -0.08 -1.60 0.00 0.00 0.02 0.00 0.00 46.19 44.53 2jmm s LEU 63 CO 0.26 -0.23 0.00 0.61 0.02 0.00 0.00 176.35 177.01 2jmm n GLY 64 N 4.45 -0.70 3.11 -3.19 0.00 -0.45 -0.62 105.19 107.79 2jmm n GLY 64 Ca -0.12 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 2jmm n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jmm s TYR 65 N -3.63 0.82 0.00 1.61 2.02 0.06 -3.66 117.35 114.56 2jmm s TYR 65 Ca 0.00 -0.58 0.00 0.00 -0.37 0.00 0.00 57.07 56.12 2jmm s TYR 65 Cb 0.00 -0.47 0.00 0.00 -0.40 0.00 0.00 41.96 41.09 2jmm s TYR 65 CO 0.00 -0.07 0.76 -0.35 -1.57 0.00 0.00 175.55 174.32 2jmm n PRO 66 N 1.09 0.00 -1.62 -1.71 -0.04 -1.26 -0.10 135.00 131.37 2jmm n PRO 66 Ca -0.20 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2jmm n PRO 66 Cb 0.56 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.44 -4.50 0.12 0.54 3.00 -1.26 -2.31 118.16 112.32 2jmm n LYS 67 Ca 0.00 3.40 -0.14 0.00 -0.00 0.00 0.00 58.31 61.57 2jmm n LYS 67 Cb 0.00 -3.99 -0.08 0.00 0.00 0.00 0.00 35.03 30.96 2jmm n LYS 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2jmm h LEU 68 N 1.10 -1.32 0.00 3.14 7.12 -1.97 -3.41 115.31 119.97 2jmm h LEU 68 Ca 0.00 0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.14 2jmm h LEU 68 Cb 0.38 0.48 0.00 0.00 -0.53 0.00 0.00 40.66 40.99 2jmm h LEU 68 CO 0.00 -0.49 0.00 0.61 -0.13 0.00 0.00 178.44 178.43 2jmm n GLY 69 N -1.42 0.67 1.22 3.75 0.00 -1.26 -3.68 105.19 104.46 2jmm n GLY 69 Ca -0.08 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2jmm n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jmm n THR 70 N 0.00 0.00 -3.64 2.61 -2.24 -1.26 -5.14 114.28 104.61 2jmm n THR 70 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2jmm n THR 70 Cb 0.00 -0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 67.94 2jmm n THR 70 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2jmm s ASP 71 N -2.67 -0.60 -1.17 3.42 -4.77 -1.24 -5.00 116.67 104.63 2jmm s ASP 71 Ca 0.00 1.05 -0.05 0.00 -3.30 0.00 0.00 52.55 50.25 2jmm s ASP 71 Cb 0.00 1.15 0.01 0.00 -1.09 0.00 0.00 42.92 42.99 2jmm s ASP 71 CO 0.00 -0.17 1.01 0.47 0.70 0.00 0.00 175.17 177.17 2jmm n ASP 72 N 3.09 -4.53 -4.35 2.11 9.92 -1.26 -4.86 116.55 116.66 2jmm n ASP 72 Ca -0.16 -0.51 -0.32 0.00 -0.53 0.00 0.00 54.79 53.27 2jmm n ASP 72 Cb 0.57 -4.61 -0.15 0.00 -0.64 0.00 0.00 41.12 36.29 2jmm n ASP 72 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2jmm s LEU 73 N -6.40 2.34 -0.02 0.64 0.20 -1.26 -2.14 118.68 112.04 2jmm s LEU 73 Ca 0.34 -0.38 0.05 0.00 0.69 0.00 0.00 54.13 54.82 2jmm s LEU 73 Cb -0.15 -1.45 -0.01 0.00 -0.43 0.00 0.00 46.19 44.15 2jmm s LEU 73 CO 0.66 0.29 -0.17 -0.62 -0.29 0.00 0.00 176.35 176.21 2jmm s ASP 74 N -0.40 2.05 -0.20 3.68 -1.08 0.62 -4.18 116.67 117.17 2jmm s ASP 74 Ca 0.04 -0.32 0.00 0.00 -0.52 0.00 0.00 52.55 51.75 2jmm s ASP 74 Cb -0.12 -0.27 0.02 0.00 -1.46 0.00 0.00 42.92 41.09 2jmm s ASP 74 CO 0.02 0.21 -0.16 -0.51 0.52 0.00 0.00 175.17 175.25 2jmm s ILE 75 N -0.35 2.37 0.24 4.11 2.07 0.86 0.19 121.20 130.69 2jmm s ILE 75 Ca 0.05 -0.90 -0.15 0.00 -1.41 0.00 0.00 60.65 58.24 2jmm s ILE 75 Cb -0.07 -2.05 0.01 0.00 0.13 0.00 0.00 42.46 40.47 2jmm s ILE 75 CO -0.00 0.46 0.52 -0.72 -1.91 0.00 0.00 174.94 173.29 2jmm s TYR 76 N 1.32 0.18 -0.08 3.50 1.13 -0.05 -0.76 117.35 122.59 2jmm s TYR 76 Ca 0.04 -0.55 0.04 0.00 -1.41 0.00 0.00 57.07 55.19 2jmm s TYR 76 Cb -0.14 0.31 -0.01 0.00 -1.10 0.00 0.00 41.96 41.03 2jmm s TYR 76 CO -0.10 -1.02 -0.22 -0.08 -2.51 0.00 0.00 175.55 171.62 2jmm s THR 77 N -3.97 2.28 -0.25 -3.49 -1.32 0.21 -0.24 115.64 108.86 2jmm s THR 77 Ca 0.18 -0.97 -0.10 0.00 -1.21 0.00 0.00 61.69 59.59 2jmm s THR 77 Cb -0.02 -1.87 -0.05 0.00 -1.51 0.00 0.00 72.50 69.06 2jmm s THR 77 CO 0.06 0.56 0.16 0.00 -2.21 0.00 0.00 174.62 173.20 2jmm s ARG 78 N -0.00 4.00 0.04 7.08 1.04 0.89 -0.95 118.95 131.05 2jmm s ARG 78 Ca -0.07 -0.30 0.07 0.00 -1.04 0.00 0.00 55.73 54.38 2jmm s ARG 78 Cb -0.15 -3.55 -0.02 0.00 -2.04 0.00 0.00 34.95 29.18 2jmm s ARG 78 CO 0.05 -0.03 -0.21 -0.48 -0.04 0.00 0.00 175.30 174.59 2jmm s LEU 79 N 1.31 2.16 0.00 -1.89 0.05 -0.40 -0.43 118.68 119.48 2jmm s LEU 79 Ca 0.07 -0.52 0.00 0.00 0.05 0.00 0.00 54.13 53.73 2jmm s LEU 79 Cb -0.14 -0.99 0.00 0.00 -2.05 0.00 0.00 46.19 43.00 2jmm s LEU 79 CO 0.07 0.17 0.00 0.61 -0.55 0.00 0.00 176.35 176.64 2jmm n GLY 80 N 1.89 -0.57 0.00 -3.48 0.00 -0.59 -0.41 105.19 102.03 2jmm n GLY 80 Ca -0.17 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.78 3.09 -0.02 0.00 -0.11 -0.58 105.19 108.35 2jmm n GLY 81 Ca 0.00 -1.67 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 2jmm n GLY 81 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2jmm s MET 82 N -2.00 1.22 -0.17 1.61 0.23 -0.04 -0.30 119.30 119.85 2jmm s MET 82 Ca 0.00 -0.49 -0.00 0.00 -1.03 0.00 0.00 55.69 54.17 2jmm s MET 82 Cb 0.00 -1.15 0.04 0.00 -1.53 0.00 0.00 34.83 32.19 2jmm s MET 82 CO 0.00 0.26 -0.07 0.08 -2.03 0.00 0.00 175.02 173.27 2jmm s VAL 83 N -0.18 1.22 0.09 5.16 1.01 0.97 -3.21 120.40 125.46 2jmm s VAL 83 Ca 0.02 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2jmm s VAL 83 Cb -0.07 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2jmm s VAL 83 CO 0.00 0.16 0.21 0.86 0.00 0.00 0.00 175.10 176.33 2jmm s TRP 84 N 1.59 3.45 -0.58 5.22 -0.00 -1.26 -0.48 118.94 126.88 2jmm s TRP 84 Ca 0.01 0.18 -0.20 0.00 -0.00 0.00 0.00 56.10 56.09 2jmm s TRP 84 Cb -0.15 -1.71 -0.18 0.00 -0.00 0.00 0.00 33.47 31.43 2jmm s TRP 84 CO -0.08 0.56 1.82 -2.13 -0.00 0.00 0.00 176.95 177.12 2jmm n ARG 85 N 0.07 1.17 -2.17 5.86 0.00 -1.16 -2.61 116.66 117.83 2jmm n ARG 85 Ca -0.06 -1.51 -0.30 0.00 -0.00 0.00 0.00 57.85 55.98 2jmm n ARG 85 Cb 0.52 -2.69 -0.05 0.00 0.00 0.00 0.00 32.46 30.24 2jmm n ARG 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jmm s ALA 86 N 5.16 1.92 0.00 5.13 0.00 -1.26 -4.56 121.76 128.15 2jmm s ALA 86 Ca 0.53 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2jmm s ALA 86 Cb 0.13 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.69 2jmm s ALA 86 CO 0.13 -4.56 0.00 -3.47 0.00 0.00 0.00 175.76 167.87 2jmm n ASP 87 N 12.80 0.00 -4.23 0.00 2.03 -1.26 -1.25 116.55 124.65 2jmm n ASP 87 Ca 0.39 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.55 2jmm n ASP 87 Cb 0.48 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.77 2jmm n ASP 87 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2jmm s THR 88 N 0.00 1.16 -0.23 5.18 -1.32 -1.26 -4.96 115.64 114.21 2jmm s THR 88 Ca 0.00 -1.87 -0.05 0.00 -1.21 0.00 0.00 61.69 58.56 2jmm s THR 88 Cb 0.00 -1.64 -0.06 0.00 -1.51 0.00 0.00 72.50 69.28 2jmm s THR 88 CO 0.00 -0.61 0.57 -1.20 -2.21 0.00 0.00 174.62 171.16 2jmm n SER 89 N 0.18 -0.10 -4.57 8.08 7.64 -1.26 -4.80 113.62 118.78 2jmm n SER 89 Ca -0.13 -0.03 -0.31 0.00 1.01 0.00 0.00 58.87 59.41 2jmm n SER 89 Cb 0.59 -0.17 -0.05 0.00 -1.01 0.00 0.00 64.21 63.57 2jmm n SER 89 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jmm s ASP 90 N 1.21 5.48 0.00 6.43 -1.08 -1.26 -4.91 116.67 122.53 2jmm s ASP 90 Ca 0.31 -1.44 0.00 0.00 -0.52 0.00 0.00 52.55 50.90 2jmm s ASP 90 Cb -0.25 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.63 2jmm s ASP 90 CO 0.12 -2.54 0.00 1.17 0.52 0.00 0.00 175.17 174.44 2jmm n LYS 91 N 8.55 0.00 -4.29 4.34 4.81 -1.26 -4.37 118.16 125.93 2jmm n LYS 91 Ca 0.43 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.67 2jmm n LYS 91 Cb 0.47 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.39 2jmm n LYS 91 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2jmm s ASP 92 N -0.18 1.64 0.00 3.14 -1.08 -1.26 -5.16 116.67 113.77 2jmm s ASP 92 Ca 0.00 -0.50 0.00 0.00 -0.52 0.00 0.00 52.55 51.53 2jmm s ASP 92 Cb 0.00 -0.09 0.00 0.00 -1.46 0.00 0.00 42.92 41.37 2jmm s ASP 92 CO 0.00 -0.00 0.00 0.61 0.52 0.00 0.00 175.17 176.30 2jmm n GLY 93 N 1.72 5.63 0.00 2.66 0.00 -1.26 -5.16 105.19 108.78 2jmm n GLY 93 Ca -0.19 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2jmm n GLY 93 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jmm n ASN 94 N 0.00 0.00 -4.57 1.61 2.85 -1.26 -5.08 115.26 108.81 2jmm n ASN 94 Ca 0.00 -0.10 -0.24 0.00 -0.11 0.00 0.00 54.58 54.13 2jmm n ASN 94 Cb 0.00 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 2jmm n ASN 94 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2jmm s GLY 95 N -0.57 -0.13 -0.37 8.20 0.00 -1.26 -4.29 107.32 108.90 2jmm s GLY 95 Ca 0.00 -1.73 -0.20 0.00 0.00 0.00 0.00 44.72 42.79 2jmm s GLY 95 CO 0.00 3.72 0.47 -1.72 0.00 0.00 0.00 173.10 175.57 2jmm n TYR 96 N 15.55 -2.92 -4.46 1.90 4.01 -1.26 -5.05 117.16 124.93 2jmm n TYR 96 Ca 0.43 1.21 -0.23 0.00 -0.16 0.00 0.00 57.90 59.16 2jmm n TYR 96 Cb 0.46 -2.96 -0.10 0.00 -0.31 0.00 0.00 39.34 36.43 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 -1.91 1.89 -0.57 -0.72 -4.36 -1.26 -4.93 121.20 109.34 2jmm s ILE 97 Ca 0.23 -2.17 -0.10 0.00 -0.26 0.00 0.00 60.65 58.35 2jmm s ILE 97 Cb -0.04 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.20 2jmm s ILE 97 CO 0.72 -0.29 0.64 -1.20 0.24 0.00 0.00 174.94 175.06 2jmm n SER 98 N -0.64 -7.64 -4.25 4.36 7.64 -1.26 -4.99 113.62 106.85 2jmm n SER 98 Ca -0.05 0.19 -0.43 0.00 1.01 0.00 0.00 58.87 59.59 2jmm n SER 98 Cb 0.63 -5.01 -0.04 0.00 -1.01 0.00 0.00 64.21 58.79 2jmm n SER 98 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmm s ALA 99 N -2.72 4.20 -0.26 -0.43 0.00 -1.26 -4.95 121.76 116.33 2jmm s ALA 99 Ca 0.15 -3.55 -0.25 0.00 0.00 0.00 0.00 51.96 48.30 2jmm s ALA 99 Cb -0.04 -3.25 0.08 0.00 0.00 0.00 0.00 23.12 19.91 2jmm s ALA 99 CO 0.77 -2.21 0.77 0.00 0.00 0.00 0.00 175.76 175.10 2jmm s ALA 100 N -0.54 -1.81 -0.28 0.00 0.00 -1.26 -5.18 121.76 112.69 2jmm s ALA 100 Ca 0.23 1.98 -0.20 0.00 0.00 0.00 0.00 51.96 53.96 2jmm s ALA 100 Cb -0.11 -1.17 0.08 0.00 0.00 0.00 0.00 23.12 21.91 2jmm s ALA 100 CO -0.08 -0.33 0.72 -2.00 0.00 0.00 0.00 175.76 174.07 2jmm s GLU 101 N 0.29 0.76 0.62 0.00 2.12 -1.25 -4.69 118.70 116.55 2jmm s GLU 101 Ca 0.00 1.10 0.00 0.00 0.36 0.00 0.00 54.97 56.43 2jmm s GLU 101 Cb -0.05 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.61 2jmm s GLU 101 CO 0.00 -0.12 0.00 0.00 -0.54 0.00 0.00 175.26 174.60 2jmm n ALA 102 N 3.50 -2.55 -2.79 6.30 0.00 -0.38 -4.87 120.51 119.71 2jmm n ALA 102 Ca -0.17 0.64 -0.44 0.00 0.00 0.00 0.00 53.44 53.47 2jmm n ALA 102 Cb 0.57 -1.54 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 2jmm n ALA 102 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jmm s SER 103 N -6.01 6.16 -0.93 0.00 1.04 -1.07 -4.75 113.70 108.13 2jmm s SER 103 Ca 0.00 -1.19 -0.24 0.00 0.48 0.00 0.00 55.95 55.00 2jmm s SER 103 Cb 0.00 -2.20 -0.01 0.00 0.10 0.00 0.00 66.02 63.91 2jmm s SER 103 CO 0.00 -0.66 1.74 -0.69 0.98 0.00 0.00 173.24 174.60 2jmm s VAL 104 N 1.82 3.63 -0.43 5.02 1.01 -1.26 -4.08 120.40 126.11 2jmm s VAL 104 Ca 0.06 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.58 2jmm s VAL 104 Cb -0.23 -4.43 0.13 0.00 0.00 0.00 0.00 36.38 31.86 2jmm s VAL 104 CO 0.08 -1.35 0.23 -0.44 0.00 0.00 0.00 175.10 173.62 2jmm s SER 105 N 6.75 3.64 0.31 3.32 0.01 -1.20 -5.08 113.70 121.46 2jmm s SER 105 Ca 0.60 -2.58 -0.28 0.00 1.31 0.00 0.00 55.95 54.99 2jmm s SER 105 Cb -0.04 -1.01 -0.09 0.00 0.21 0.00 0.00 66.02 65.08 2jmm s SER 105 CO -0.03 -0.27 1.10 -2.16 0.41 0.00 0.00 173.24 172.28 2jmm s PRO 106 N 0.41 4.50 -0.01 12.44 0.04 -1.26 -0.86 135.00 150.27 2jmm s PRO 106 Ca 0.17 1.76 0.02 0.00 0.04 0.00 0.00 61.00 62.99 2jmm s PRO 106 Cb -0.24 -3.03 -0.00 0.00 0.04 0.00 0.00 34.50 31.26 2jmm s PRO 106 CO 0.00 0.10 -0.07 0.08 0.04 0.00 0.00 177.00 177.15 2jmm s VAL 107 N -1.27 0.57 -0.13 -0.36 1.01 0.25 -4.83 120.40 115.64 2jmm s VAL 107 Ca 0.48 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.17 2jmm s VAL 107 Cb -0.30 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.60 2jmm s VAL 107 CO 0.39 0.17 -0.16 0.12 0.00 0.00 0.00 175.10 175.62 2jmm s PHE 108 N -0.10 2.13 -0.15 5.22 2.19 -0.70 -1.55 117.98 125.03 2jmm s PHE 108 Ca 0.02 -1.09 -0.03 0.00 0.33 0.00 0.00 56.93 56.16 2jmm s PHE 108 Cb -0.04 -1.54 0.05 0.00 -1.31 0.00 0.00 43.02 40.19 2jmm s PHE 108 CO -0.00 -0.57 0.04 0.00 1.83 0.00 0.00 175.22 176.52 2jmm s ALA 109 N 1.15 0.76 -0.02 11.12 0.00 0.43 -0.46 121.76 134.74 2jmm s ALA 109 Ca -0.02 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.54 2jmm s ALA 109 Cb -0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 2jmm s ALA 109 CO -0.05 -0.99 -0.12 0.20 0.00 0.00 0.00 175.76 174.80 2jmm s GLY 110 N 1.97 1.61 0.00 0.00 0.00 -0.26 -0.08 107.32 110.56 2jmm s GLY 110 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2jmm s GLY 110 CO -0.07 -0.85 0.00 0.61 0.00 0.00 0.00 173.10 172.79 2jmm n GLY 111 N 1.96 -0.73 3.36 0.20 0.00 0.67 -0.06 105.19 110.59 2jmm n GLY 111 Ca -0.17 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 2jmm n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jmm s VAL 112 N -4.00 2.24 -0.15 1.61 -7.23 0.14 -0.87 120.40 112.15 2jmm s VAL 112 Ca 0.00 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 58.86 2jmm s VAL 112 Cb 0.00 -1.87 0.02 0.00 0.56 0.00 0.00 36.38 35.09 2jmm s VAL 112 CO 0.00 0.39 -0.17 -0.70 -0.31 0.00 0.00 175.10 174.31 2jmm s GLU 113 N -1.18 2.57 -0.05 4.82 -6.30 0.13 -0.45 118.70 118.23 2jmm s GLU 113 Ca 0.12 -0.67 0.05 0.00 -2.50 0.00 0.00 54.97 51.97 2jmm s GLU 113 Cb -0.10 -2.23 -0.02 0.00 0.00 0.00 0.00 34.13 31.78 2jmm s GLU 113 CO 0.02 -0.16 -0.21 -0.47 0.02 0.00 0.00 175.26 174.46 2jmm s TYR 114 N 1.23 2.52 -0.15 5.30 5.04 0.39 -0.28 117.35 131.40 2jmm s TYR 114 Ca 0.01 -0.48 -0.04 0.00 -2.44 0.00 0.00 57.07 54.12 2jmm s TYR 114 Cb -0.14 -1.61 -0.03 0.00 0.35 0.00 0.00 41.96 40.54 2jmm s TYR 114 CO -0.08 -0.05 -0.03 0.54 -1.34 0.00 0.00 175.55 174.58 2jmm s VAL 115 N -0.39 3.93 -0.31 3.14 0.11 -0.91 0.06 120.40 126.03 2jmm s VAL 115 Ca 0.04 -0.35 -0.27 0.00 -2.93 0.00 0.00 61.98 58.47 2jmm s VAL 115 Cb -0.12 -2.72 -0.05 0.00 -1.53 0.00 0.00 36.38 31.96 2jmm s VAL 115 CO 0.02 0.50 2.24 -0.51 -3.33 0.00 0.00 175.10 174.01 2jmm s ILE 116 N 0.28 3.05 -0.59 7.04 1.10 -0.64 -4.83 121.20 126.61 2jmm s ILE 116 Ca -0.03 0.05 0.03 0.00 -0.51 0.00 0.00 60.65 60.19 2jmm s ILE 116 Cb -0.14 -3.08 0.15 0.00 0.15 0.00 0.00 42.46 39.54 2jmm s ILE 116 CO 0.03 -0.06 0.35 -0.60 -2.11 0.00 0.00 174.94 172.55 2jmm s ARG 117 N 6.87 2.20 0.00 3.50 3.52 -1.26 -4.84 118.95 128.94 2jmm s ARG 117 Ca 0.97 -2.82 0.00 0.00 -0.13 0.00 0.00 55.73 53.76 2jmm s ARG 117 Cb -0.27 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 2jmm s ARG 117 CO 0.32 -1.16 0.00 -2.13 -0.81 0.00 0.00 175.30 171.52 2jmm n ARG 118 N 2.84 0.00 -3.97 5.12 0.63 -1.26 -5.14 116.66 114.88 2jmm n ARG 118 Ca 0.09 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.70 2jmm n ARG 118 Cb 0.33 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.19 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 -0.01 3.30 -0.63 -0.14 3.52 -1.26 -5.01 118.95 118.73 2jmm s ARG 119 Ca 0.00 -0.41 -0.28 0.00 -0.13 0.00 0.00 55.73 54.91 2jmm s ARG 119 Cb 0.00 -3.00 -0.11 0.00 -1.56 0.00 0.00 34.95 30.28 2jmm s ARG 119 CO 0.00 0.65 2.49 1.51 -0.81 0.00 0.00 175.30 179.14 2jmm n ILE 120 N 0.86 -0.06 -3.99 4.11 3.06 -1.26 -4.92 119.36 117.17 2jmm n ILE 120 Ca -0.10 -0.57 -0.09 0.00 -2.50 0.00 0.00 62.75 59.49 2jmm n ILE 120 Cb 0.52 -2.15 -0.11 0.00 0.54 0.00 0.00 39.64 38.44 2jmm n ILE 120 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2jmm s THR 121 N 11.26 0.12 -1.15 9.51 -4.23 -1.26 -5.08 115.64 124.82 2jmm s THR 121 Ca 1.09 -1.03 -0.22 0.00 -1.18 0.00 0.00 61.69 60.35 2jmm s THR 121 Cb -0.49 -0.44 -0.05 0.00 1.34 0.00 0.00 72.50 72.86 2jmm s THR 121 CO 0.33 -0.57 1.89 -2.16 -0.54 0.00 0.00 174.62 173.57 2jmm s PRO 122 N -1.80 2.77 0.00 3.99 0.04 -1.26 -4.78 135.00 133.95 2jmm s PRO 122 Ca -0.13 -1.14 0.00 0.00 0.04 0.00 0.00 61.00 59.77 2jmm s PRO 122 Cb -0.07 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.20 2jmm s PRO 122 CO -0.02 -3.56 0.00 -1.91 0.04 0.00 0.00 177.00 171.54 2jmm n GLU 123 N 8.42 0.00 -5.00 4.56 4.07 -1.26 -4.77 120.64 126.65 2jmm n GLU 123 Ca 0.44 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 57.22 2jmm n GLU 123 Cb 0.47 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.71 2jmm n GLU 123 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 2jmm s ILE 124 N 0.00 2.66 -0.13 6.31 -5.25 -1.26 -3.31 121.20 120.23 2jmm s ILE 124 Ca 0.00 -0.93 0.02 0.00 -0.99 0.00 0.00 60.65 58.75 2jmm s ILE 124 Cb 0.00 -2.02 0.00 0.00 2.95 0.00 0.00 42.46 43.39 2jmm s ILE 124 CO 0.00 0.55 -0.20 0.00 -1.79 0.00 0.00 174.94 173.50 2jmm s ALA 125 N -0.72 2.32 -0.16 2.27 0.00 0.53 -1.62 121.76 124.38 2jmm s ALA 125 Ca 0.11 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 2jmm s ALA 125 Cb -0.10 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 2jmm s ALA 125 CO 0.01 0.14 -0.04 -0.08 0.00 0.00 0.00 175.76 175.78 2jmm s THR 126 N 0.56 3.84 -0.33 0.00 -1.32 0.11 -0.27 115.64 118.23 2jmm s THR 126 Ca -0.12 -0.37 -0.03 0.00 -1.21 0.00 0.00 61.69 59.96 2jmm s THR 126 Cb -0.17 -2.69 0.06 0.00 -1.51 0.00 0.00 72.50 68.20 2jmm s THR 126 CO 0.04 0.49 0.06 -0.60 -2.21 0.00 0.00 174.62 172.40 2jmm s ARG 127 N 0.44 2.39 -0.35 7.08 3.52 0.11 -0.46 118.95 131.67 2jmm s ARG 127 Ca -0.04 -1.35 -0.09 0.00 -0.13 0.00 0.00 55.73 54.13 2jmm s ARG 127 Cb -0.14 -3.32 0.03 0.00 -1.56 0.00 0.00 34.95 29.96 2jmm s ARG 127 CO 0.03 -0.71 0.15 -1.17 -0.81 0.00 0.00 175.30 172.79 2jmm s LEU 128 N 1.26 4.43 0.03 -0.88 2.96 0.41 -1.24 118.68 125.65 2jmm s LEU 128 Ca -0.02 -0.98 0.01 0.00 -0.22 0.00 0.00 54.13 52.92 2jmm s LEU 128 Cb -0.20 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 2jmm s LEU 128 CO -0.01 -0.33 -0.05 -1.83 -1.32 0.00 0.00 176.35 172.81 2jmm s GLU 129 N 1.50 0.42 -0.17 1.98 4.04 -0.52 -0.68 118.70 125.26 2jmm s GLU 129 Ca 0.01 -0.70 -0.13 0.00 0.04 0.00 0.00 54.97 54.19 2jmm s GLU 129 Cb -0.19 -0.07 -0.05 0.00 0.02 0.00 0.00 34.13 33.85 2jmm s GLU 129 CO 0.05 -0.01 0.26 1.52 -1.84 0.00 0.00 175.26 175.24 2jmm s TYR 130 N -1.52 3.44 -0.35 4.83 -0.85 0.92 -0.13 117.35 123.69 2jmm s TYR 130 Ca -0.12 0.53 -0.08 0.00 -0.52 0.00 0.00 57.07 56.87 2jmm s TYR 130 Cb -0.09 -2.31 0.04 0.00 0.38 0.00 0.00 41.96 39.97 2jmm s TYR 130 CO -0.01 0.22 0.14 -1.14 -1.52 0.00 0.00 175.55 173.24 2jmm s GLN 131 N 0.53 2.68 -0.04 -3.49 0.74 0.12 -1.10 119.66 119.09 2jmm s GLN 131 Ca 0.15 -1.15 0.05 0.00 0.05 0.00 0.00 55.36 54.46 2jmm s GLN 131 Cb -0.13 -3.54 -0.01 0.00 1.10 0.00 0.00 33.01 30.43 2jmm s GLN 131 CO 0.03 -0.68 -0.21 -0.46 -0.55 0.00 0.00 175.29 173.42 2jmm s TRP 132 N 1.45 2.00 -0.31 1.67 -0.00 0.39 -1.80 118.94 122.34 2jmm s TRP 132 Ca -0.01 -0.53 -0.06 0.00 -0.00 0.00 0.00 56.10 55.50 2jmm s TRP 132 Cb -0.19 -1.32 0.25 0.00 -0.00 0.00 0.00 33.47 32.21 2jmm s TRP 132 CO 0.04 -0.15 1.23 -2.37 -0.00 0.00 0.00 176.95 175.70 2jmm n THR 133 N 2.93 0.00 -3.60 5.86 5.66 -1.26 -1.71 114.28 122.15 2jmm n THR 133 Ca -0.17 -0.30 -0.08 0.00 -3.05 0.00 0.00 64.05 60.45 2jmm n THR 133 Cb 0.53 0.77 -0.05 0.00 -1.55 0.00 0.00 70.33 70.03 2jmm n THR 133 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2jmm s ASN 134 N 0.46 -0.27 0.47 1.09 3.84 -1.26 -5.04 114.94 114.23 2jmm s ASN 134 Ca 0.24 0.30 0.13 0.00 0.21 0.00 0.00 52.86 53.74 2jmm s ASN 134 Cb 0.18 0.23 1.08 0.00 -0.55 0.00 0.00 41.25 42.18 2jmm s ASN 134 CO -0.09 -0.25 2.07 0.78 -2.79 0.00 0.00 177.10 176.82 2jmm h ASN 135 N 2.43 0.11 -0.66 -4.21 4.21 -2.02 -3.42 115.58 112.01 2jmm h ASN 135 Ca -0.15 -0.01 -0.18 0.00 1.21 0.00 0.00 56.30 57.17 2jmm h ASN 135 Cb 1.17 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 38.32 2jmm h ASN 135 CO 0.28 0.15 0.48 0.00 -1.29 0.00 0.00 177.43 177.05 2jmm s ALA 136 N -5.00 1.22 0.54 -0.83 0.00 -1.26 -4.97 121.76 111.46 2jmm s ALA 136 Ca -0.05 -1.04 -0.21 0.00 0.00 0.00 0.00 51.96 50.65 2jmm s ALA 136 Cb 0.17 -4.54 -0.05 0.00 0.00 0.00 0.00 23.12 18.69 2jmm s ALA 136 CO 0.69 -5.28 1.25 -1.54 0.00 0.00 0.00 175.76 170.89 2jmm s SER 137 N 9.62 5.49 0.00 0.00 1.04 -1.26 -3.33 113.70 125.26 2jmm s SER 137 Ca 0.82 2.51 0.00 0.00 0.48 0.00 0.00 55.95 59.77 2jmm s SER 137 Cb -0.11 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2jmm s SER 137 CO 0.06 -1.40 0.00 0.47 0.98 0.00 0.00 173.24 173.35 2jmm n ASP 138 N -1.06 0.00 -0.63 7.02 9.92 -1.26 -4.91 116.55 125.62 2jmm n ASP 138 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 2jmm n ASP 138 Cb 0.47 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 2jmm n ASP 138 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2jmm n ASN 139 N 0.00 1.93 0.00 -2.24 2.85 -1.21 -5.14 115.26 111.45 2jmm n ASN 139 Ca 0.00 -0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.15 2jmm n ASN 139 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2jmm n ASN 139 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jmm n GLY 140 N 5.00 0.53 3.32 8.20 0.00 -1.26 -5.00 105.19 115.98 2jmm n GLY 140 Ca 0.00 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 2jmm n GLY 140 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jmm s MET 141 N -0.76 1.79 -0.28 1.61 1.75 -0.74 -2.88 119.30 119.79 2jmm s MET 141 Ca 0.00 -1.05 -0.02 0.00 -1.25 0.00 0.00 55.69 53.37 2jmm s MET 141 Cb 0.00 -1.91 0.04 0.00 2.84 0.00 0.00 34.83 35.79 2jmm s MET 141 CO 0.00 0.50 -0.01 -1.17 -0.65 0.00 0.00 175.02 173.69 2jmm s LEU 142 N -1.10 3.64 -0.03 4.11 2.96 0.98 0.12 118.68 129.37 2jmm s LEU 142 Ca 0.11 -1.08 0.07 0.00 -0.22 0.00 0.00 54.13 53.01 2jmm s LEU 142 Cb -0.10 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 2jmm s LEU 142 CO 0.01 -0.21 -0.25 -0.55 -1.32 0.00 0.00 176.35 174.04 2jmm s SER 143 N 1.30 2.97 -0.06 3.68 0.15 0.82 -0.42 113.70 122.13 2jmm s SER 143 Ca -0.03 -0.47 0.06 0.00 0.70 0.00 0.00 55.95 56.21 2jmm s SER 143 Cb -0.18 -0.50 -0.01 0.00 -1.71 0.00 0.00 66.02 63.61 2jmm s SER 143 CO -0.02 0.28 -0.25 -0.22 1.20 0.00 0.00 173.24 174.24 2jmm s LEU 144 N -0.43 2.07 -0.07 3.45 2.96 -0.65 -1.44 118.68 124.56 2jmm s LEU 144 Ca 0.05 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 2jmm s LEU 144 Cb -0.11 -1.37 0.02 0.00 0.50 0.00 0.00 46.19 45.22 2jmm s LEU 144 CO 0.01 0.23 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.33 2jmm s GLY 145 N -0.09 0.77 -0.11 7.98 0.00 -0.38 -1.45 107.32 114.04 2jmm s GLY 145 Ca -0.06 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.28 2jmm s GLY 145 CO 0.04 0.26 -0.21 0.14 0.00 0.00 0.00 173.10 173.33 2jmm s VAL 146 N 0.85 1.91 -0.04 1.40 1.01 -0.95 0.06 120.40 124.64 2jmm s VAL 146 Ca -0.11 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.02 2jmm s VAL 146 Cb -0.15 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2jmm s VAL 146 CO 0.01 0.52 -0.23 -0.94 0.00 0.00 0.00 175.10 174.47 2jmm s SER 147 N 0.63 3.27 0.08 3.32 1.04 0.62 -0.48 113.70 122.18 2jmm s SER 147 Ca -0.13 -0.42 0.08 0.00 0.48 0.00 0.00 55.95 55.96 2jmm s SER 147 Cb -0.16 -0.58 -0.03 0.00 0.10 0.00 0.00 66.02 65.34 2jmm s SER 147 CO 0.03 0.30 -0.20 -0.72 0.98 0.00 0.00 173.24 173.63 2jmm s TYR 148 N -0.51 1.76 0.12 5.02 -0.85 0.12 -0.35 117.35 122.66 2jmm s TYR 148 Ca 0.07 -0.40 0.02 0.00 -0.52 0.00 0.00 57.07 56.24 2jmm s TYR 148 Cb -0.11 -0.99 -0.04 0.00 0.38 0.00 0.00 41.96 41.20 2jmm s TYR 148 CO 0.01 0.16 0.23 -0.98 -1.52 0.00 0.00 175.55 173.44 2jmm s ARG 149 N -1.66 3.31 0.35 -3.49 1.70 -1.21 -1.81 118.95 116.15 2jmm s ARG 149 Ca 0.06 -0.61 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 2jmm s ARG 149 Cb -0.10 -2.91 0.00 0.00 -0.57 0.00 0.00 34.95 31.37 2jmm s ARG 149 CO 0.03 0.54 0.00 1.19 -1.08 0.00 0.00 175.30 175.98 2jmm n PHE 150 N -0.24 -3.96 -3.44 5.89 3.72 0.07 -4.91 117.46 114.59 2jmm n PHE 150 Ca -0.07 2.07 -0.43 0.00 -0.05 0.00 0.00 57.45 58.97 2jmm n PHE 150 Cb 0.53 -3.29 -0.08 0.00 -0.94 0.00 0.00 39.48 35.71 2jmm n PHE 150 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2jmm s GLY 151 N -2.18 2.04 0.00 1.37 0.00 -1.26 -4.92 107.32 102.37 2jmm s GLY 151 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 44.72 42.45 2jmm s GLY 151 CO 0.00 1.07 0.00 -0.18 0.00 0.00 0.00 173.10 173.99 2jmm n GLN 152 N 5.11 0.00 -1.26 2.90 7.27 -1.26 -4.71 117.38 125.43 2jmm n GLN 152 Ca -0.12 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.57 2jmm n GLN 152 Cb 0.42 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.00 2jmm n GLN 152 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jmm n GLY 153 N 0.59 1.68 3.16 1.69 0.00 -1.26 -4.53 105.19 106.52 2jmm n GLY 153 Ca 0.00 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 2jmm n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jmm n GLU 154 N 7.53 -2.14 -2.31 1.61 1.02 -1.26 -4.87 120.64 120.23 2jmm n GLU 154 Ca 0.48 1.78 -0.34 0.00 -0.02 0.00 0.00 57.16 59.06 2jmm n GLU 154 Cb 0.42 -4.09 -0.04 0.00 -0.02 0.00 0.00 31.44 27.71 2jmm n GLU 154 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jmm s ALA 155 N -2.16 2.22 -1.85 0.62 0.00 -1.26 -5.32 121.76 114.00 2jmm s ALA 155 Ca 0.29 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.30 2jmm s ALA 155 Cb -0.05 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.51 2jmm s ALA 155 CO 0.82 -4.23 0.46 0.00 0.00 0.00 0.00 175.76 172.81