#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjm n GLU 2 N 0.00 2.86 -2.67 0.00 0.28 -1.26 -4.94 120.64 114.91 1mjm n GLU 2 Ca 0.00 -2.09 -0.42 0.00 -0.16 0.00 0.00 57.16 54.48 1mjm n GLU 2 Cb 0.00 -1.66 -0.03 0.00 1.43 0.00 0.00 31.44 31.18 1mjm n GLU 2 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 1mjm s TRP 3 N -1.65 3.54 0.10 -1.84 -0.00 -1.25 -4.74 118.94 113.10 1mjm s TRP 3 Ca 0.38 1.60 0.18 0.00 -0.00 0.00 0.00 56.10 58.25 1mjm s TRP 3 Cb 0.23 -3.19 0.53 0.00 -0.00 0.00 0.00 33.47 31.04 1mjm s TRP 3 CO 0.20 -0.26 1.66 0.66 -0.00 0.00 0.00 176.95 179.21 1mjm h SER 4 N 7.00 0.00 0.00 5.86 4.64 -1.92 -3.47 113.55 125.66 1mjm h SER 4 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1mjm h SER 4 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1mjm h SER 4 CO 0.82 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 177.81 1mjm n GLY 5 N 0.47 0.57 3.53 -0.77 0.00 -1.26 -4.87 105.19 102.86 1mjm n GLY 5 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1mjm n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mjm s GLU 6 N -0.93 3.97 0.13 1.61 2.02 -1.26 -4.73 118.70 119.50 1mjm s GLU 6 Ca 0.00 -2.11 -0.33 0.00 0.02 0.00 0.00 54.97 52.55 1mjm s GLU 6 Cb 0.00 -5.33 -0.13 0.00 0.10 0.00 0.00 34.13 28.77 1mjm s GLU 6 CO 0.00 -2.06 1.67 0.98 0.02 0.00 0.00 175.26 175.87 1mjm n TYR 7 N 7.41 2.40 -4.46 1.61 4.19 -1.26 -5.00 117.16 122.05 1mjm n TYR 7 Ca 0.42 0.15 -0.30 0.00 3.31 0.00 0.00 57.90 61.47 1mjm n TYR 7 Cb 0.45 -2.60 -0.17 0.00 0.49 0.00 0.00 39.34 37.52 1mjm n TYR 7 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1mjm s ILE 8 N 1.55 1.73 0.05 2.97 1.01 -1.26 -4.87 121.20 122.38 1mjm s ILE 8 Ca 0.80 -0.77 -0.31 0.00 0.00 0.00 0.00 60.65 60.37 1mjm s ILE 8 Cb -0.63 -1.57 -0.06 0.00 0.01 0.00 0.00 42.46 40.21 1mjm s ILE 8 CO 0.38 0.49 1.37 -0.55 0.00 0.00 0.00 174.94 176.63 1mjm s SER 9 N 1.01 6.88 0.00 3.58 0.15 -1.26 -4.88 113.70 119.18 1mjm s SER 9 Ca -0.05 2.17 0.23 0.00 0.70 0.00 0.00 55.95 59.00 1mjm s SER 9 Cb -0.15 -2.57 0.94 0.00 -1.71 0.00 0.00 66.02 62.53 1mjm s SER 9 CO -0.03 -0.66 1.66 -2.65 1.20 0.00 0.00 173.24 172.75 1mjm n PRO 10 N 4.69 1.59 -4.24 5.44 -0.02 -1.26 -4.91 135.00 136.29 1mjm n PRO 10 Ca 0.12 -0.87 -0.29 0.00 -2.02 0.00 0.00 63.50 60.44 1mjm n PRO 10 Cb 0.44 -1.41 -0.10 0.00 -0.02 0.00 0.00 33.50 32.41 1mjm n PRO 10 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1mjm s TYR 11 N -1.88 2.71 0.04 6.00 2.02 -1.26 -4.60 117.35 120.38 1mjm s TYR 11 Ca 0.34 -0.17 -0.21 0.00 -0.37 0.00 0.00 57.07 56.66 1mjm s TYR 11 Cb 0.18 -1.41 -0.14 0.00 -0.40 0.00 0.00 41.96 40.19 1mjm s TYR 11 CO 0.28 0.43 1.38 0.00 -1.57 0.00 0.00 175.55 176.07 1mjm h ALA 12 N 3.54 0.22 -3.18 3.71 0.00 -1.92 -3.43 119.26 118.21 1mjm h ALA 12 Ca -0.49 -0.29 -0.67 0.00 0.00 0.00 0.00 54.91 53.46 1mjm h ALA 12 Cb 1.17 -0.05 -0.33 0.00 0.00 0.00 0.00 17.79 18.58 1mjm h ALA 12 CO 0.52 0.05 -0.86 -1.21 0.00 0.00 0.00 179.25 177.75 1mjm s GLU 13 N -4.47 3.05 -0.28 0.00 0.41 -1.26 -0.61 118.70 115.55 1mjm s GLU 13 Ca -0.14 -0.83 -0.00 0.00 -0.41 0.00 0.00 54.97 53.59 1mjm s GLU 13 Cb 0.05 -2.49 0.09 0.00 -1.78 0.00 0.00 34.13 30.00 1mjm s GLU 13 CO 0.74 -0.04 0.05 -3.38 -0.49 0.00 0.00 175.26 172.15 1mjm s HIS 14 N 0.89 2.05 0.00 1.61 -3.43 -0.99 -5.01 115.29 110.40 1mjm s HIS 14 Ca -0.05 -1.81 0.00 0.00 -0.80 0.00 0.00 55.06 52.40 1mjm s HIS 14 Cb -0.15 -1.77 0.00 0.00 -1.43 0.00 0.00 32.58 29.22 1mjm s HIS 14 CO -0.03 -0.83 0.00 0.41 -2.00 0.00 0.00 174.74 172.28 1mjm n GLY 15 N 4.75 1.39 0.05 -1.38 0.00 -1.26 -2.46 105.19 106.28 1mjm n GLY 15 Ca -0.04 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 1mjm n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mjm n LYS 16 N 0.00 2.16 -2.62 1.61 5.02 -1.26 -5.03 118.16 118.04 1mjm n LYS 16 Ca 0.00 -0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 1mjm n LYS 16 Cb 0.00 -1.26 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 1mjm n LYS 16 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1mjm s LYS 17 N -2.29 3.93 -0.03 1.97 2.36 -1.03 -5.07 119.74 119.58 1mjm s LYS 17 Ca -0.05 1.27 0.07 0.00 -2.55 0.00 0.00 55.97 54.71 1mjm s LYS 17 Cb 0.03 -2.12 -0.02 0.00 -1.05 0.00 0.00 37.83 34.68 1mjm s LYS 17 CO 0.42 -0.31 -0.25 -1.12 1.55 0.00 0.00 175.35 175.64 1mjm s SER 18 N -2.09 2.98 0.32 1.43 0.01 -1.26 -2.35 113.70 112.74 1mjm s SER 18 Ca 0.65 -0.47 0.06 0.00 1.31 0.00 0.00 55.95 57.50 1mjm s SER 18 Cb -0.14 -0.50 -0.01 0.00 0.21 0.00 0.00 66.02 65.58 1mjm s SER 18 CO 0.18 0.29 0.45 -1.61 0.41 0.00 0.00 173.24 172.96 1mjm s GLU 19 N -0.44 3.20 -0.15 12.44 0.41 0.23 -5.03 118.70 129.35 1mjm s GLU 19 Ca 0.05 -0.92 -0.23 0.00 -0.41 0.00 0.00 54.97 53.46 1mjm s GLU 19 Cb -0.11 -2.83 -0.02 0.00 -1.78 0.00 0.00 34.13 29.39 1mjm s GLU 19 CO 0.01 0.14 0.72 -0.65 -0.49 0.00 0.00 175.26 174.99 1mjm s GLN 20 N -4.14 4.30 0.07 1.61 -0.21 -1.26 -4.94 119.66 115.08 1mjm s GLN 20 Ca 0.42 0.83 0.08 0.00 0.02 0.00 0.00 55.36 56.71 1mjm s GLN 20 Cb -0.09 -3.54 -0.03 0.00 1.00 0.00 0.00 33.01 30.34 1mjm s GLN 20 CO 0.31 -0.19 -0.21 0.14 -2.12 0.00 0.00 175.29 173.21 1mjm s VAL 21 N 1.71 1.73 0.02 1.09 -7.23 -1.26 -5.07 120.40 111.38 1mjm s VAL 21 Ca 0.34 -1.35 0.06 0.00 -1.81 0.00 0.00 61.98 59.23 1mjm s VAL 21 Cb -0.17 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 1mjm s VAL 21 CO 0.13 0.12 -0.18 -0.75 -0.31 0.00 0.00 175.10 174.11 1mjm s LYS 22 N -1.47 2.18 -0.26 4.82 2.20 -1.26 -5.11 119.74 120.84 1mjm s LYS 22 Ca 0.08 -0.91 -0.12 0.00 -0.36 0.00 0.00 55.97 54.66 1mjm s LYS 22 Cb -0.09 -2.22 -0.05 0.00 -1.51 0.00 0.00 37.83 33.96 1mjm s LYS 22 CO 0.03 0.56 0.22 0.15 -0.36 0.00 0.00 175.35 175.95 1mjm s LYS 23 N -1.23 4.01 0.06 4.03 1.02 -1.26 -5.08 119.74 121.29 1mjm s LYS 23 Ca 0.14 -0.22 0.07 0.00 0.02 0.00 0.00 55.97 55.98 1mjm s LYS 23 Cb -0.10 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 1mjm s LYS 23 CO 0.04 -0.12 -0.18 0.96 -0.92 0.00 0.00 175.35 175.13 1mjm s ILE 24 N 1.60 2.81 -0.26 2.17 -4.36 -1.26 -5.10 121.20 116.80 1mjm s ILE 24 Ca 0.09 -1.26 -0.23 0.00 -0.26 0.00 0.00 60.65 58.99 1mjm s ILE 24 Cb -0.15 -2.21 -0.01 0.00 1.25 0.00 0.00 42.46 41.34 1mjm s ILE 24 CO 0.09 0.28 0.77 -0.89 0.24 0.00 0.00 174.94 175.43 1mjm s THR 25 N -0.98 4.87 -0.15 8.37 2.01 -1.26 -5.03 115.64 123.46 1mjm s THR 25 Ca 0.15 1.39 -0.02 0.00 0.31 0.00 0.00 61.69 63.53 1mjm s THR 25 Cb -0.11 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 1mjm s THR 25 CO 0.06 -0.08 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.13 1mjm s VAL 26 N 2.77 3.24 -0.28 3.82 1.01 -1.26 -5.09 120.40 124.62 1mjm s VAL 26 Ca 0.32 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 1mjm s VAL 26 Cb -0.15 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1mjm s VAL 26 CO 0.08 0.50 0.76 -0.44 0.00 0.00 0.00 175.10 176.01 1mjm s SER 27 N 0.62 6.69 -0.06 3.32 0.01 -1.26 -5.04 113.70 117.97 1mjm s SER 27 Ca -0.06 0.77 0.02 0.00 1.31 0.00 0.00 55.95 57.99 1mjm s SER 27 Cb -0.15 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.70 1mjm s SER 27 CO 0.03 -0.53 -0.09 -0.51 0.41 0.00 0.00 173.24 172.55 1mjm s ILE 28 N 2.83 0.89 0.52 1.44 2.07 -1.26 -5.13 121.20 122.55 1mjm s ILE 28 Ca 0.32 -0.32 -0.22 0.00 -1.41 0.00 0.00 60.65 59.01 1mjm s ILE 28 Cb -0.15 -0.85 -0.06 0.00 0.13 0.00 0.00 42.46 41.54 1mjm s ILE 28 CO 0.10 0.30 1.30 -2.84 -1.91 0.00 0.00 174.94 171.90 1mjm s PRO 29 N 0.82 3.32 0.25 3.50 0.02 -1.26 -4.76 135.00 136.89 1mjm s PRO 29 Ca -0.12 2.10 -0.03 0.00 0.02 0.00 0.00 61.00 62.97 1mjm s PRO 29 Cb -0.15 -2.30 0.52 0.00 0.02 0.00 0.00 34.50 32.59 1mjm s PRO 29 CO 0.02 -1.01 1.69 1.25 -0.33 0.00 0.00 177.00 178.61 1mjm h LEU 30 N 1.63 0.06 -1.10 -5.54 5.85 -2.00 0.50 115.31 114.70 1mjm h LEU 30 Ca -0.50 0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.29 1mjm h LEU 30 Cb 1.28 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1mjm h LEU 30 CO 0.58 -0.04 -0.24 0.11 -0.34 0.00 0.00 178.44 178.52 1mjm h LYS 31 N 0.29 0.34 -0.05 1.25 1.57 -2.00 -1.59 116.57 116.38 1mjm h LYS 31 Ca 0.45 -0.11 -0.19 0.00 -1.87 0.00 0.00 60.65 58.92 1mjm h LYS 31 Cb 0.78 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 1mjm h LYS 31 CO -0.52 0.56 -0.79 0.28 -0.57 0.00 0.00 179.45 178.41 1mjm h VAL 32 N 0.30 1.40 -0.45 0.50 2.07 -1.40 -3.12 116.25 115.57 1mjm h VAL 32 Ca 0.05 -2.28 -0.10 0.00 0.82 0.00 0.00 66.70 65.19 1mjm h VAL 32 Cb 0.59 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1mjm h VAL 32 CO 0.04 0.68 -0.12 0.25 0.02 0.00 0.00 177.57 178.44 1mjm h LEU 33 N 0.23 0.88 -0.78 2.57 5.85 -0.52 -2.22 115.31 121.32 1mjm h LEU 33 Ca -0.04 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 1mjm h LEU 33 Cb 1.38 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1mjm h LEU 33 CO 0.13 1.04 0.32 0.50 -0.34 0.00 0.00 178.44 180.09 1mjm h LYS 34 N 0.70 1.16 -0.33 1.25 3.11 -1.36 0.09 116.57 121.19 1mjm h LYS 34 Ca 0.11 -0.21 -0.10 0.00 -2.81 0.00 0.00 60.65 57.64 1mjm h LYS 34 Cb 0.66 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 1mjm h LYS 34 CO 0.05 0.94 -0.21 0.82 -2.81 0.00 0.00 179.45 178.23 1mjm h ILE 35 N 1.13 1.26 0.08 2.00 2.04 -1.47 0.12 117.51 122.67 1mjm h ILE 35 Ca 0.26 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 1mjm h ILE 35 Cb 0.21 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1mjm h ILE 35 CO -0.02 0.41 -0.04 0.25 0.00 0.00 0.00 178.15 178.75 1mjm h LEU 36 N 0.56 -0.09 -1.73 1.44 5.85 -1.16 -2.73 115.31 117.45 1mjm h LEU 36 Ca 0.08 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.41 1mjm h LEU 36 Cb 0.67 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1mjm h LEU 36 CO 0.05 0.39 0.21 0.74 -0.34 0.00 0.00 178.44 179.48 1mjm h THR 37 N -0.60 1.05 -0.26 1.05 2.02 -0.90 -1.34 112.91 113.92 1mjm h THR 37 Ca -0.01 -0.13 -0.14 0.00 0.77 0.00 0.00 66.41 66.91 1mjm h THR 37 Cb 0.50 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1mjm h THR 37 CO 0.02 0.07 -0.40 0.44 0.37 0.00 0.00 175.52 176.01 1mjm h ASP 38 N 0.37 0.65 0.65 4.18 5.19 -0.94 -0.85 116.42 125.68 1mjm h ASP 38 Ca 0.12 -0.29 -0.15 0.00 -0.62 0.00 0.00 57.03 56.09 1mjm h ASP 38 Cb 0.04 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.34 1mjm h ASP 38 CO -0.03 0.98 -0.69 -0.08 -3.12 0.00 0.00 179.24 176.30 1mjm h GLU 39 N 0.51 0.04 -0.19 3.56 4.57 -1.00 -1.24 114.58 120.82 1mjm h GLU 39 Ca 0.04 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.10 1mjm h GLU 39 Cb 0.92 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1mjm h GLU 39 CO 0.08 0.72 -0.24 -0.09 -1.18 0.00 0.00 179.01 178.29 1mjm h ARG 40 N 0.02 0.50 0.00 1.92 2.43 -1.06 -2.09 114.38 116.10 1mjm h ARG 40 Ca -0.01 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 58.84 1mjm h ARG 40 Cb 1.23 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1mjm h ARG 40 CO 0.09 0.87 -0.20 1.79 -1.51 0.00 0.00 179.97 181.02 1mjm h THR 41 N 0.16 0.47 -0.25 0.20 1.35 -1.11 -1.64 112.91 112.09 1mjm h THR 41 Ca 0.02 -1.08 -0.18 0.00 -0.55 0.00 0.00 66.41 64.63 1mjm h THR 41 Cb 0.81 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1mjm h THR 41 CO 0.06 0.19 -0.53 -0.09 -0.25 0.00 0.00 175.52 174.90 1mjm h ARG 42 N 0.00 0.81 -0.36 4.72 2.43 -1.05 -1.27 114.38 119.65 1mjm h ARG 42 Ca -0.00 -0.53 -0.14 0.00 -0.81 0.00 0.00 59.98 58.50 1mjm h ARG 42 Cb 0.75 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1mjm h ARG 42 CO 0.03 1.16 -0.33 0.00 -1.51 0.00 0.00 179.97 179.31 1mjm h ARG 43 N 0.56 0.81 0.76 0.20 3.08 -1.14 -2.71 114.38 115.94 1mjm h ARG 43 Ca 0.00 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.63 1mjm h ARG 43 Cb 1.15 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1mjm h ARG 43 CO 0.12 1.02 -0.42 0.87 -1.07 0.00 0.00 179.97 180.49 1mjm h LYS 44 N 0.68 -1.05 -0.14 0.04 1.57 -1.16 0.64 116.57 117.15 1mjm h LYS 44 Ca 0.07 0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1mjm h LYS 44 Cb 0.88 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1mjm h LYS 44 CO 0.08 -0.70 0.11 -0.39 -0.57 0.00 0.00 179.45 177.97 1mjm h VAL 45 N -1.09 0.82 -0.06 0.50 -1.51 -1.29 0.21 116.25 113.82 1mjm h VAL 45 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1mjm h VAL 45 Cb 0.86 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 1mjm h VAL 45 CO 0.13 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.06 1mjm n ASN 46 N -4.34 1.09 -3.10 4.19 3.02 -1.02 -4.92 115.26 110.18 1mjm n ASN 46 Ca 0.00 -1.47 -0.23 0.00 -0.03 0.00 0.00 54.58 52.85 1mjm n ASN 46 Cb 0.23 -0.03 0.03 0.00 -0.61 0.00 0.00 39.78 39.39 1mjm n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1mjm n ASN 47 N -0.11 -5.50 -4.87 6.41 4.05 0.72 -4.98 115.26 110.99 1mjm n ASN 47 Ca 0.18 -0.31 -0.31 0.00 0.45 0.00 0.00 54.58 54.59 1mjm n ASN 47 Cb 0.26 -4.46 -0.05 0.00 1.23 0.00 0.00 39.78 36.77 1mjm n ASN 47 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1mjm s LEU 48 N -6.63 4.02 0.91 1.20 1.43 0.15 -4.46 118.68 115.30 1mjm s LEU 48 Ca 0.32 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 54.40 1mjm s LEU 48 Cb -0.15 -3.91 0.14 0.00 0.03 0.00 0.00 46.19 42.30 1mjm s LEU 48 CO 0.40 -0.23 1.09 -0.13 0.23 0.00 0.00 176.35 177.71 1mjm s ARG 49 N -3.26 1.13 -1.50 1.70 0.52 0.22 -4.10 118.95 113.67 1mjm s ARG 49 Ca 0.51 0.73 -0.12 0.00 -0.52 0.00 0.00 55.73 56.32 1mjm s ARG 49 Cb -0.10 -1.80 0.07 0.00 0.52 0.00 0.00 34.95 33.63 1mjm s ARG 49 CO 0.24 -2.30 1.01 0.72 0.02 0.00 0.00 175.30 174.98 1mjm n HIS 50 N -3.91 -2.39 -2.10 -0.53 8.25 -1.26 -4.90 115.22 108.38 1mjm n HIS 50 Ca 0.07 0.92 -0.42 0.00 -0.26 0.00 0.00 57.72 58.03 1mjm n HIS 50 Cb 0.56 -4.17 -0.00 0.00 1.12 0.00 0.00 29.99 27.49 1mjm n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mjm n ALA 51 N -4.73 5.89 -2.72 -1.41 0.00 -1.26 -4.63 120.51 111.65 1mjm n ALA 51 Ca 0.02 -4.15 -0.09 0.00 0.00 0.00 0.00 53.44 49.23 1mjm n ALA 51 Cb 0.54 -3.04 -0.10 0.00 0.00 0.00 0.00 19.45 16.84 1mjm n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1mjm s THR 52 N 0.55 0.14 0.36 0.00 -4.23 -1.26 -4.83 115.64 106.36 1mjm s THR 52 Ca 0.46 -1.16 0.08 0.00 -1.18 0.00 0.00 61.69 59.88 1mjm s THR 52 Cb 0.13 -0.69 0.14 0.00 1.34 0.00 0.00 72.50 73.41 1mjm s THR 52 CO -0.04 -0.64 1.86 0.78 -0.54 0.00 0.00 174.62 176.05 1mjm h ASN 53 N 4.09 0.30 0.47 3.99 2.35 -1.91 -2.49 115.58 122.39 1mjm h ASN 53 Ca -0.33 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.33 1mjm h ASN 53 Cb 1.19 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1mjm h ASN 53 CO 0.49 0.48 -0.23 0.28 -1.65 0.00 0.00 177.43 176.80 1mjm h SER 54 N 0.29 -0.54 -0.69 5.81 0.02 -1.96 -1.21 113.55 115.27 1mjm h SER 54 Ca 0.06 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1mjm h SER 54 Cb 0.45 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 1mjm h SER 54 CO 0.03 -0.25 0.45 -0.33 -1.14 0.00 0.00 176.83 175.58 1mjm h GLU 55 N -0.82 0.92 -0.30 3.45 5.08 -1.80 -0.98 114.58 120.13 1mjm h GLU 55 Ca -0.07 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1mjm h GLU 55 Cb 0.57 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1mjm h GLU 55 CO 0.11 0.62 0.11 -0.07 -1.00 0.00 0.00 179.01 178.78 1mjm h LEU 56 N 0.95 0.42 -0.68 1.33 3.38 -1.36 -0.90 115.31 118.45 1mjm h LEU 56 Ca 0.25 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1mjm h LEU 56 Cb -0.08 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1mjm h LEU 56 CO -0.05 0.49 0.23 -0.07 0.09 0.00 0.00 178.44 179.12 1mjm h LEU 57 N 0.33 0.98 -0.65 1.67 3.38 -0.50 -1.58 115.31 118.95 1mjm h LEU 57 Ca 0.10 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1mjm h LEU 57 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1mjm h LEU 57 CO -0.01 0.92 -0.32 0.00 0.09 0.00 0.00 178.44 179.13 1mjm h GLU 59 N 0.60 0.06 -0.59 0.00 5.08 -0.94 -1.45 114.58 117.35 1mjm h GLU 59 Ca 0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1mjm h GLU 59 Cb 0.83 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1mjm h GLU 59 CO 0.07 0.08 0.38 0.00 -1.00 0.00 0.00 179.01 178.55 1mjm h ALA 60 N 0.98 0.75 -0.15 3.43 0.00 -1.13 -0.61 119.26 122.52 1mjm h ALA 60 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1mjm h ALA 60 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1mjm h ALA 60 CO -0.00 0.19 0.05 0.35 0.00 0.00 0.00 179.25 179.84 1mjm h PHE 61 N 0.80 0.24 -0.48 0.00 3.57 -1.06 0.45 116.94 120.45 1mjm h PHE 61 Ca 0.21 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1mjm h PHE 61 Cb -0.08 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1mjm h PHE 61 CO -0.03 0.34 0.25 -0.07 -2.23 0.00 0.00 178.31 176.58 1mjm h LEU 62 N 0.07 0.61 -0.38 0.59 3.38 -1.18 -0.39 115.31 118.02 1mjm h LEU 62 Ca 0.05 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1mjm h LEU 62 Cb 0.21 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1mjm h LEU 62 CO -0.00 0.54 0.23 -0.74 0.09 0.00 0.00 178.44 178.56 1mjm h HIS 63 N 0.64 0.44 -0.09 1.13 2.76 -0.96 0.16 115.15 119.22 1mjm h HIS 63 Ca 0.17 0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.21 1mjm h HIS 63 Cb 0.07 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1mjm h HIS 63 CO -0.01 0.26 -0.58 0.00 -1.30 0.00 0.00 177.93 176.30 1mjm h ALA 64 N 1.16 0.85 0.00 5.26 0.00 -0.66 -2.35 119.26 123.52 1mjm h ALA 64 Ca 0.15 -0.53 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 1mjm h ALA 64 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1mjm h ALA 64 CO -0.05 0.71 -1.92 1.19 0.00 0.00 0.00 179.25 179.17 1mjm n PHE 65 N -3.90 0.00 -0.01 0.00 3.72 -0.18 -4.61 117.46 112.48 1mjm n PHE 65 Ca -0.02 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.44 1mjm n PHE 65 Cb 0.60 -0.61 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 1mjm n PHE 65 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1mjm n THR 66 N -2.39 0.05 -0.39 4.37 -2.24 0.48 -5.01 114.28 109.15 1mjm n THR 66 Ca -0.17 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1mjm n THR 66 Cb 0.80 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1mjm n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mjm n GLY 67 N 1.75 0.78 3.69 3.38 0.00 -0.63 -3.89 105.19 110.27 1mjm n GLY 67 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1mjm n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mjm s GLN 68 N -0.61 4.18 0.33 1.61 0.74 -1.20 -4.39 119.66 120.33 1mjm s GLN 68 Ca 0.00 2.41 -0.28 0.00 0.05 0.00 0.00 55.36 57.55 1mjm s GLN 68 Cb 0.00 -3.54 -0.13 0.00 1.10 0.00 0.00 33.01 30.44 1mjm s GLN 68 CO 0.00 -0.75 1.14 -2.30 -0.55 0.00 0.00 175.29 172.83 1mjm n PRO 69 N 5.44 1.71 -2.19 1.67 -0.02 -1.26 -3.81 135.00 136.54 1mjm n PRO 69 Ca 0.16 0.60 -0.29 0.00 -2.02 0.00 0.00 63.50 61.95 1mjm n PRO 69 Cb 0.40 -2.09 0.01 0.00 -0.02 0.00 0.00 33.50 31.80 1mjm n PRO 69 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1mjm s LEU 70 N -0.35 3.32 0.13 2.45 1.43 -1.26 -4.92 118.68 119.48 1mjm s LEU 70 Ca 0.58 1.13 -0.28 0.00 -1.03 0.00 0.00 54.13 54.53 1mjm s LEU 70 Cb -0.62 -4.09 -0.07 0.00 0.03 0.00 0.00 46.19 41.44 1mjm s LEU 70 CO 0.61 -0.86 0.87 -2.16 0.23 0.00 0.00 176.35 175.03 1mjm s PRO 71 N -5.04 4.65 0.65 1.29 0.04 -1.26 -4.96 135.00 130.37 1mjm s PRO 71 Ca 0.53 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 1mjm s PRO 71 Cb -0.11 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.08 1mjm s PRO 71 CO 0.50 0.37 1.05 -0.51 0.04 0.00 0.00 177.00 178.45 1mjm s ASP 72 N -0.50 5.99 0.50 6.66 1.01 -1.26 -4.94 116.67 124.13 1mjm s ASP 72 Ca 0.41 1.36 0.15 0.00 0.71 0.00 0.00 52.55 55.19 1mjm s ASP 72 Cb -0.23 -2.34 1.21 0.00 1.01 0.00 0.00 42.92 42.56 1mjm s ASP 72 CO 0.28 -1.02 2.12 0.44 0.21 0.00 0.00 175.17 177.20 1mjm h ASP 73 N -0.43 0.03 -0.67 0.27 5.19 -1.98 -0.96 116.42 117.87 1mjm h ASP 73 Ca -0.44 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.93 1mjm h ASP 73 Cb 1.21 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.68 1mjm h ASP 73 CO 0.62 0.05 0.28 0.00 -3.12 0.00 0.00 179.24 177.07 1mjm h ALA 74 N 1.96 1.19 0.00 3.45 0.00 -2.00 -2.00 119.26 121.86 1mjm h ALA 74 Ca 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1mjm h ALA 74 Cb 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1mjm h ALA 74 CO 0.00 0.59 -0.05 -0.44 0.00 0.00 0.00 179.25 179.35 1mjm h ASP 75 N 1.00 0.00 -0.67 0.00 3.32 -1.54 -3.09 116.42 115.45 1mjm h ASP 75 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1mjm h ASP 75 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1mjm h ASP 75 CO -0.02 0.05 0.00 0.18 -1.72 0.00 0.00 179.24 177.73 1mjm n LEU 76 N -3.21 4.22 -4.75 1.55 4.77 -0.76 -4.70 117.00 114.12 1mjm n LEU 76 Ca -0.00 -2.20 -0.41 0.00 -0.03 0.00 0.00 56.01 53.37 1mjm n LEU 76 Cb 0.29 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1mjm n LEU 76 CO 0.28 0.90 0.88 -0.13 -1.33 0.00 0.00 177.39 177.98 1mjm s ARG 77 N -1.38 4.50 0.00 3.23 1.81 -1.17 -0.61 118.95 125.33 1mjm s ARG 77 Ca 0.48 1.93 0.20 0.00 -1.72 0.00 0.00 55.73 56.63 1mjm s ARG 77 Cb 0.28 -3.19 0.95 0.00 -0.45 0.00 0.00 34.95 32.54 1mjm s ARG 77 CO 0.28 -0.03 1.65 1.63 -0.68 0.00 0.00 175.30 178.15 1mjm n LYS 78 N 1.82 0.16 0.11 3.54 5.02 -1.26 -1.97 118.16 125.58 1mjm n LYS 78 Ca 0.02 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 1mjm n LYS 78 Cb 0.44 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 34.10 1mjm n LYS 78 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1mjm h GLU 79 N 0.00 0.00 -5.91 1.97 3.07 -1.95 -3.45 114.58 108.30 1mjm h GLU 79 Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.24 1mjm h GLU 79 Cb 0.26 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.13 1mjm h GLU 79 CO 0.00 0.00 -0.51 0.50 -1.40 0.00 0.00 179.01 177.60 1mjm s ARG 80 N -3.23 3.41 0.51 2.33 3.52 -0.83 -5.08 118.95 119.57 1mjm s ARG 80 Ca 0.05 -0.44 -0.21 0.00 -0.13 0.00 0.00 55.73 54.99 1mjm s ARG 80 Cb 0.10 -3.03 -0.06 0.00 -1.56 0.00 0.00 34.95 30.40 1mjm s ARG 80 CO 0.71 0.61 1.19 -1.12 -0.81 0.00 0.00 175.30 175.89 1mjm s SER 81 N -2.44 5.82 -0.98 -2.12 0.01 -1.26 -4.81 113.70 107.92 1mjm s SER 81 Ca 0.34 2.35 -0.23 0.00 1.31 0.00 0.00 55.95 59.73 1mjm s SER 81 Cb -0.13 -2.60 -0.13 0.00 0.21 0.00 0.00 66.02 63.37 1mjm s SER 81 CO 0.27 -1.16 1.92 -0.67 0.41 0.00 0.00 173.24 174.01 1mjm n ASP 82 N -0.87 2.79 -4.79 2.44 -0.08 -1.26 -4.89 116.55 109.89 1mjm n ASP 82 Ca 0.09 -2.69 -0.23 0.00 -1.51 0.00 0.00 54.79 50.46 1mjm n ASP 82 Cb 0.48 -1.45 -0.06 0.00 2.34 0.00 0.00 41.12 42.44 1mjm n ASP 82 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1mjm s GLU 83 N 5.86 2.38 0.28 -0.67 2.02 -1.26 -4.29 118.70 123.01 1mjm s GLU 83 Ca 0.64 -1.66 -0.30 0.00 0.02 0.00 0.00 54.97 53.67 1mjm s GLU 83 Cb 0.06 -2.17 -0.13 0.00 0.10 0.00 0.00 34.13 31.99 1mjm s GLU 83 CO 0.13 -0.08 1.46 -0.89 0.02 0.00 0.00 175.26 175.90 1mjm n ILE 84 N -1.32 1.14 -1.57 -1.63 5.41 -1.26 -4.88 119.36 115.25 1mjm n ILE 84 Ca -0.00 -0.29 -0.45 0.00 1.00 0.00 0.00 62.75 63.01 1mjm n ILE 84 Cb 0.63 -1.67 -0.02 0.00 -0.71 0.00 0.00 39.64 37.86 1mjm n ILE 84 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1mjm n PRO 85 N 1.83 1.19 -0.29 0.38 -0.02 -1.26 -4.67 135.00 132.17 1mjm n PRO 85 Ca 0.09 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 62.07 1mjm n PRO 85 Cb 0.34 -1.75 0.31 0.00 -0.02 0.00 0.00 33.50 32.39 1mjm n PRO 85 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1mjm h GLU 86 N 1.94 0.81 -0.72 -0.52 4.39 -1.95 -0.13 114.58 118.41 1mjm h GLU 86 Ca -0.38 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.21 1mjm h GLU 86 Cb 1.35 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 1mjm h GLU 86 CO 0.61 0.54 0.24 0.00 -1.16 0.00 0.00 179.01 179.24 1mjm h ALA 87 N 1.57 0.94 -0.34 3.43 0.00 -1.93 -2.25 119.26 120.67 1mjm h ALA 87 Ca 0.43 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1mjm h ALA 87 Cb 0.50 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1mjm h ALA 87 CO -0.19 0.61 -0.05 0.00 0.00 0.00 0.00 179.25 179.61 1mjm h ALA 88 N 1.12 0.47 -0.36 0.00 0.00 -1.62 -2.54 119.26 116.33 1mjm h ALA 88 Ca 0.23 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1mjm h ALA 88 Cb 0.28 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1mjm h ALA 88 CO -0.01 0.28 0.13 0.87 0.00 0.00 0.00 179.25 180.53 1mjm h LYS 89 N 0.43 0.28 -0.80 0.00 1.57 -0.85 -0.57 116.57 116.63 1mjm h LYS 89 Ca 0.09 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1mjm h LYS 89 Cb 0.54 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1mjm h LYS 89 CO 0.03 0.19 0.53 1.49 -0.57 0.00 0.00 179.45 181.11 1mjm h GLU 90 N 0.29 1.06 -0.47 3.15 4.57 -1.36 -1.26 114.58 120.56 1mjm h GLU 90 Ca 0.16 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1mjm h GLU 90 Cb 0.12 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 1mjm h GLU 90 CO -0.15 0.71 0.07 0.82 -1.18 0.00 0.00 179.01 179.27 1mjm h ILE 91 N 1.09 1.25 -0.50 2.32 2.04 -1.01 -1.73 117.51 120.97 1mjm h ILE 91 Ca 0.29 -0.93 0.07 0.00 1.00 0.00 0.00 64.86 65.29 1mjm h ILE 91 Cb -0.12 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 1mjm h ILE 91 CO -0.06 0.33 0.18 0.24 0.00 0.00 0.00 178.15 178.84 1mjm h MET 92 N 0.64 0.35 -0.84 2.37 2.86 -0.56 -1.16 114.93 118.60 1mjm h MET 92 Ca 0.14 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1mjm h MET 92 Cb 0.40 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1mjm h MET 92 CO 0.01 0.23 0.50 0.00 1.06 0.00 0.00 176.91 178.72 1mjm h ARG 93 N 0.37 1.14 0.00 1.72 3.08 -0.97 -0.24 114.38 119.48 1mjm h ARG 93 Ca 0.24 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1mjm h ARG 93 Cb 0.24 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1mjm h ARG 93 CO -0.23 0.80 0.00 0.39 -1.07 0.00 0.00 179.97 179.86 1mjm n GLU 94 N -4.43 0.18 -0.10 0.04 1.02 -0.68 -2.16 120.64 114.51 1mjm n GLU 94 Ca 0.09 0.35 0.12 0.00 -0.02 0.00 0.00 57.16 57.69 1mjm n GLU 94 Cb 0.06 -1.80 0.26 0.00 -0.02 0.00 0.00 31.44 29.94 1mjm n GLU 94 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1mjm n MET 95 N -2.13 2.19 -2.36 3.49 2.81 -0.37 -4.94 117.12 115.80 1mjm n MET 95 Ca 0.03 -1.77 -0.03 0.00 -1.81 0.00 0.00 57.70 54.12 1mjm n MET 95 Cb 0.26 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 1mjm n MET 95 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mjm n GLY 96 N 1.34 0.51 3.00 3.03 0.00 -0.92 -5.05 105.19 107.11 1mjm n GLY 96 Ca 0.17 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 1mjm n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjm s ILE 97 N -2.61 1.37 -0.54 -0.61 1.01 -0.24 -5.02 121.20 114.57 1mjm s ILE 97 Ca 0.04 -0.53 -0.28 0.00 0.00 0.00 0.00 60.65 59.88 1mjm s ILE 97 Cb -0.02 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.17 1mjm s ILE 97 CO 0.05 0.42 1.33 0.21 0.00 0.00 0.00 174.94 176.96 1mjm s ASN 98 N 1.34 6.28 0.57 3.58 3.04 -1.26 -2.96 114.94 125.53 1mjm s ASN 98 Ca 0.00 0.34 0.34 0.00 0.04 0.00 0.00 52.86 53.58 1mjm s ASN 98 Cb -0.14 -2.55 1.69 0.00 -1.54 0.00 0.00 41.25 38.72 1mjm s ASN 98 CO -0.06 -1.57 2.13 1.55 -3.04 0.00 0.00 177.10 176.10 1mjm h PRO 99 N 10.46 0.00 0.02 0.43 0.13 -1.91 0.12 132.00 141.25 1mjm h PRO 99 Ca -0.26 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.65 1mjm h PRO 99 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1mjm h PRO 99 CO 1.16 0.05 -0.96 0.93 -0.23 0.00 0.00 178.00 178.95 1mjm h GLU 100 N 0.00 0.28 0.00 0.86 4.39 -1.98 -3.33 114.58 114.80 1mjm h GLU 100 Ca -0.00 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1mjm h GLU 100 Cb 0.31 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1mjm h GLU 100 CO 0.01 1.06 -1.58 0.25 -1.16 0.00 0.00 179.01 177.58 1mjm n THR 101 N -3.66 0.03 -1.62 1.13 -2.24 -0.94 -4.98 114.28 102.00 1mjm n THR 101 Ca -0.05 -0.33 -0.51 0.00 -2.27 0.00 0.00 64.05 60.88 1mjm n THR 101 Cb 0.86 0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 1mjm n THR 101 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1mjm n TRP 102 N -2.02 1.76 -3.69 4.78 -0.00 0.36 -4.94 117.44 113.70 1mjm n TRP 102 Ca -0.01 0.53 -0.36 0.00 -0.00 0.00 0.00 57.50 57.65 1mjm n TRP 102 Cb 0.49 -2.40 -0.07 0.00 -0.00 0.00 0.00 31.31 29.33 1mjm n TRP 102 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 1mjm s GLU 103 N 1.09 3.94 0.00 5.87 2.56 -1.26 -5.01 118.70 125.89 1mjm s GLU 103 Ca 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 54.97 55.81 1mjm s GLU 103 Cb -0.90 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 31.90 1mjm s GLU 103 CO 0.48 0.48 0.00 2.48 -0.56 0.00 0.00 175.26 178.14