#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjp n GLU 2 N 0.00 0.00 -2.52 0.00 0.28 -1.26 -5.14 120.64 112.00 1mjp n GLU 2 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 1mjp n GLU 2 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1mjp n GLU 2 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 1mjp s TRP 3 N 0.00 3.51 -1.09 -1.84 -0.00 -1.26 -4.95 118.94 113.30 1mjp s TRP 3 Ca 0.00 1.70 0.29 0.00 -0.00 0.00 0.00 56.10 58.09 1mjp s TRP 3 Cb 0.00 -3.20 1.30 0.00 -0.00 0.00 0.00 33.47 31.57 1mjp s TRP 3 CO 0.00 -0.49 1.96 -1.13 -0.00 0.00 0.00 176.95 177.29 1mjp n SER 4 N 0.78 0.00 0.00 5.86 3.41 -1.26 -4.94 113.62 117.47 1mjp n SER 4 Ca 0.01 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1mjp n SER 4 Cb 0.47 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1mjp n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mjp n GLY 5 N 1.45 2.46 3.55 5.00 0.00 -1.26 -4.99 105.19 111.39 1mjp n GLY 5 Ca 0.09 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 1mjp n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mjp n GLU 6 N 0.00 0.88 -4.05 1.61 1.02 -1.26 -4.72 120.64 114.13 1mjp n GLU 6 Ca 0.00 0.33 -0.08 0.00 -0.02 0.00 0.00 57.16 57.38 1mjp n GLU 6 Cb 0.00 -1.88 -0.11 0.00 -0.02 0.00 0.00 31.44 29.43 1mjp n GLU 6 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1mjp s TYR 7 N -1.49 0.44 -0.05 -0.32 6.14 -1.26 -4.90 117.35 115.91 1mjp s TYR 7 Ca 0.68 -0.80 0.04 0.00 0.64 0.00 0.00 57.07 57.63 1mjp s TYR 7 Cb -0.50 -0.31 -0.00 0.00 0.42 0.00 0.00 41.96 41.57 1mjp s TYR 7 CO 0.54 -0.27 -0.18 0.42 0.64 0.00 0.00 175.55 176.71 1mjp s ILE 8 N -2.70 1.48 -0.21 3.14 1.01 -1.26 -4.98 121.20 117.69 1mjp s ILE 8 Ca -0.04 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 59.59 1mjp s ILE 8 Cb -0.01 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1mjp s ILE 8 CO -0.05 0.43 1.07 -0.55 0.00 0.00 0.00 174.94 175.83 1mjp s SER 9 N 0.12 7.09 0.00 3.58 0.15 -1.26 -4.83 113.70 118.55 1mjp s SER 9 Ca -0.06 1.44 0.00 0.00 0.70 0.00 0.00 55.95 58.03 1mjp s SER 9 Cb -0.13 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1mjp s SER 9 CO 0.03 -0.67 0.59 -0.81 1.20 0.00 0.00 173.24 173.58 1mjp n PRO 10 N 6.26 0.98 -3.98 5.44 -0.04 -1.26 -4.67 135.00 137.72 1mjp n PRO 10 Ca 0.12 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.49 1mjp n PRO 10 Cb 0.46 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 1mjp n PRO 10 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1mjp s TYR 11 N -0.79 0.27 0.16 0.54 2.02 -1.26 -4.61 117.35 113.69 1mjp s TYR 11 Ca 0.00 -0.58 0.05 0.00 -0.37 0.00 0.00 57.07 56.17 1mjp s TYR 11 Cb 0.00 -0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.32 1mjp s TYR 11 CO 0.00 -0.25 0.16 0.00 -1.57 0.00 0.00 175.55 173.89 1mjp s ALA 12 N -2.01 3.64 0.08 3.71 0.00 -1.26 -5.06 121.76 120.86 1mjp s ALA 12 Ca -0.11 -1.19 -0.31 0.00 0.00 0.00 0.00 51.96 50.36 1mjp s ALA 12 Cb -0.06 -1.43 -0.06 0.00 0.00 0.00 0.00 23.12 21.57 1mjp s ALA 12 CO -0.03 0.51 1.25 -1.21 0.00 0.00 0.00 175.76 176.28 1mjp s GLU 13 N -3.13 4.41 0.95 0.00 8.01 -1.26 -4.97 118.70 122.71 1mjp s GLU 13 Ca 0.32 1.86 -0.12 0.00 0.01 0.00 0.00 54.97 57.03 1mjp s GLU 13 Cb -0.10 -3.31 0.08 0.00 -4.31 0.00 0.00 34.13 26.48 1mjp s GLU 13 CO 0.24 -0.29 0.63 1.58 0.01 0.00 0.00 175.26 177.43 1mjp n HIS 14 N 3.82 -0.75 0.00 1.61 -0.00 -1.26 -2.81 115.22 115.83 1mjp n HIS 14 Ca 0.09 0.27 0.00 0.00 -0.00 0.00 0.00 57.72 58.09 1mjp n HIS 14 Cb 0.45 -1.84 0.00 0.00 -0.00 0.00 0.00 29.99 28.60 1mjp n HIS 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1mjp n GLY 15 N 1.13 2.52 1.31 1.57 0.00 -1.26 -4.62 105.19 105.83 1mjp n GLY 15 Ca 0.08 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1mjp n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1mjp n LYS 16 N 0.00 2.55 -0.00 1.61 2.85 -1.12 -4.77 118.16 119.27 1mjp n LYS 16 Ca 0.00 -3.71 -0.17 0.00 -1.05 0.00 0.00 58.31 53.38 1mjp n LYS 16 Cb 0.00 -1.92 -0.13 0.00 -0.65 0.00 0.00 35.03 32.33 1mjp n LYS 16 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1mjp h LYS 17 N 1.58 0.21 -0.08 -1.58 1.57 -1.82 -2.61 116.57 113.84 1mjp h LYS 17 Ca 0.17 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1mjp h LYS 17 Cb 1.27 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1mjp h LYS 17 CO 0.37 1.10 0.00 0.45 -0.57 0.00 0.00 179.45 180.80 1mjp n SER 18 N -4.34 0.08 0.00 0.86 2.88 -1.26 0.22 113.62 112.06 1mjp n SER 18 Ca -0.12 -1.07 0.00 0.00 -1.33 0.00 0.00 58.87 56.35 1mjp n SER 18 Cb 0.65 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1mjp n SER 18 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1mjp n GLU 19 N -0.39 3.36 0.00 -1.46 2.13 -1.22 -4.76 120.64 118.30 1mjp n GLU 19 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1mjp n GLU 19 Cb 0.02 -0.99 0.00 0.00 0.27 0.00 0.00 31.44 30.74 1mjp n GLU 19 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1mjp n GLN 20 N -1.89 0.18 -4.75 5.31 6.02 -0.70 -5.04 117.38 116.50 1mjp n GLN 20 Ca 0.00 -0.71 -0.27 0.00 -0.01 0.00 0.00 57.00 56.01 1mjp n GLN 20 Cb 0.42 -0.93 -0.14 0.00 1.02 0.00 0.00 30.24 30.60 1mjp n GLN 20 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1mjp s VAL 21 N -0.26 1.83 0.07 5.09 1.01 0.60 -4.99 120.40 123.75 1mjp s VAL 21 Ca 0.00 -1.25 0.04 0.00 0.00 0.00 0.00 61.98 60.77 1mjp s VAL 21 Cb 0.00 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1mjp s VAL 21 CO 0.00 0.27 -0.12 -0.75 0.00 0.00 0.00 175.10 174.50 1mjp s LYS 22 N -1.17 0.78 0.01 2.72 2.20 -1.26 -4.57 119.74 118.45 1mjp s LYS 22 Ca 0.09 -0.96 -0.02 0.00 -0.36 0.00 0.00 55.97 54.72 1mjp s LYS 22 Cb -0.09 -0.69 -0.04 0.00 -1.51 0.00 0.00 37.83 35.50 1mjp s LYS 22 CO 0.02 0.14 0.18 0.15 -0.36 0.00 0.00 175.35 175.48 1mjp s LYS 23 N -1.91 3.40 0.06 4.03 1.02 -1.26 -5.11 119.74 119.97 1mjp s LYS 23 Ca -0.02 -0.37 -0.03 0.00 0.02 0.00 0.00 55.97 55.57 1mjp s LYS 23 Cb -0.09 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 1mjp s LYS 23 CO 0.02 0.66 0.04 0.96 -0.92 0.00 0.00 175.35 176.10 1mjp s ILE 24 N -1.35 0.19 -0.63 2.17 -4.36 -1.26 -5.11 121.20 110.85 1mjp s ILE 24 Ca 0.28 -1.55 -0.16 0.00 -0.26 0.00 0.00 60.65 58.96 1mjp s ILE 24 Cb -0.13 -1.38 0.15 0.00 1.25 0.00 0.00 42.46 42.36 1mjp s ILE 24 CO 0.20 -0.86 0.60 -0.89 0.24 0.00 0.00 174.94 174.23 1mjp s THR 25 N -3.71 5.29 -0.18 8.37 2.01 -1.26 -5.04 115.64 121.11 1mjp s THR 25 Ca 0.05 -1.73 -0.14 0.00 0.31 0.00 0.00 61.69 60.18 1mjp s THR 25 Cb 0.06 -4.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 1mjp s THR 25 CO -0.10 -0.94 0.29 0.68 -0.69 0.00 0.00 174.62 173.87 1mjp s VAL 26 N 1.30 5.29 -0.05 3.82 -7.23 -1.26 -5.04 120.40 117.23 1mjp s VAL 26 Ca 0.08 0.52 -0.25 0.00 -1.81 0.00 0.00 61.98 60.52 1mjp s VAL 26 Cb -0.24 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 1mjp s VAL 26 CO -0.00 0.35 0.75 -0.44 -0.31 0.00 0.00 175.10 175.46 1mjp s SER 27 N 0.67 7.06 -0.04 4.85 0.01 -1.26 -5.05 113.70 119.95 1mjp s SER 27 Ca 0.15 1.28 -0.04 0.00 1.31 0.00 0.00 55.95 58.66 1mjp s SER 27 Cb -0.13 -2.44 0.01 0.00 0.21 0.00 0.00 66.02 63.66 1mjp s SER 27 CO 0.04 -0.14 0.11 -0.51 0.41 0.00 0.00 173.24 173.15 1mjp s ILE 28 N 0.83 0.01 0.14 1.44 2.07 -1.26 -5.15 121.20 119.27 1mjp s ILE 28 Ca 0.40 -0.09 -0.31 0.00 -1.41 0.00 0.00 60.65 59.24 1mjp s ILE 28 Cb -0.18 -0.19 -0.09 0.00 0.13 0.00 0.00 42.46 42.12 1mjp s ILE 28 CO 0.20 -0.05 1.51 -2.16 -1.91 0.00 0.00 174.94 172.53 1mjp s PRO 29 N -0.12 4.25 0.21 3.50 0.04 -1.26 -4.75 135.00 136.87 1mjp s PRO 29 Ca -0.02 2.25 -0.17 0.00 0.04 0.00 0.00 61.00 63.11 1mjp s PRO 29 Cb -0.02 -3.24 0.21 0.00 0.04 0.00 0.00 34.50 31.49 1mjp s PRO 29 CO 0.00 -0.56 1.43 1.28 0.04 0.00 0.00 177.00 179.19 1mjp n LEU 30 N 4.15 -0.62 -0.10 -3.56 4.77 -1.26 -0.04 117.00 120.35 1mjp n LEU 30 Ca 0.13 1.61 -0.07 0.00 -0.03 0.00 0.00 56.01 57.65 1mjp n LEU 30 Cb 0.40 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1mjp n LEU 30 CO 0.61 -1.44 0.69 0.11 -1.33 0.00 0.00 177.39 176.02 1mjp h LYS 31 N 0.00 -0.19 0.31 3.23 1.79 -2.00 -0.35 116.57 119.35 1mjp h LYS 31 Ca 0.31 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1mjp h LYS 31 Cb 0.54 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.20 1mjp h LYS 31 CO -0.91 -0.13 -0.48 0.28 -1.08 0.00 0.00 179.45 177.13 1mjp h VAL 32 N -0.20 0.06 -0.63 0.50 2.07 -0.83 -2.90 116.25 114.33 1mjp h VAL 32 Ca 0.18 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.75 1mjp h VAL 32 Cb 0.48 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.23 1mjp h VAL 32 CO -0.48 0.00 -0.37 -0.11 0.02 0.00 0.00 177.57 176.63 1mjp n LEU 33 N -5.52 -0.66 0.00 2.57 7.94 0.18 -1.84 117.00 119.66 1mjp n LEU 33 Ca -0.10 1.44 0.00 0.00 -1.11 0.00 0.00 56.01 56.25 1mjp n LEU 33 Cb 0.43 -0.31 0.00 0.00 0.53 0.00 0.00 43.42 44.07 1mjp n LEU 33 CO 0.22 -1.07 0.30 1.17 -1.11 0.00 0.00 177.39 176.89 1mjp n LYS 34 N -4.42 0.00 -0.22 1.96 4.81 -0.23 -0.75 118.16 119.31 1mjp n LYS 34 Ca 0.01 0.59 -0.05 0.00 -0.87 0.00 0.00 58.31 57.99 1mjp n LYS 34 Cb 0.16 -1.05 -0.04 0.00 0.02 0.00 0.00 35.03 34.12 1mjp n LYS 34 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1mjp n ILE 35 N -1.54 -0.35 0.03 3.15 5.41 -0.83 0.80 119.36 126.03 1mjp n ILE 35 Ca 0.00 1.29 -0.12 0.00 1.00 0.00 0.00 62.75 64.92 1mjp n ILE 35 Cb 0.00 -1.60 -0.05 0.00 -0.71 0.00 0.00 39.64 37.27 1mjp n ILE 35 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1mjp h LEU 36 N 0.00 -1.10 -0.19 1.39 5.85 -0.50 -0.33 115.31 120.44 1mjp h LEU 36 Ca 0.10 0.15 0.04 0.00 0.84 0.00 0.00 57.88 59.01 1mjp h LEU 36 Cb 0.23 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1mjp h LEU 36 CO -0.51 -0.40 -0.10 0.74 -0.34 0.00 0.00 178.44 177.83 1mjp h THR 37 N -0.48 0.69 -0.02 1.05 2.02 0.26 0.19 112.91 116.62 1mjp h THR 37 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1mjp h THR 37 Cb 0.59 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1mjp h THR 37 CO -0.32 0.00 -0.02 0.44 0.37 0.00 0.00 175.52 175.99 1mjp h ASP 38 N -0.08 -0.07 -0.03 4.18 5.19 0.51 1.23 116.42 127.35 1mjp h ASP 38 Ca 0.10 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.53 1mjp h ASP 38 Cb 0.24 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.77 1mjp h ASP 38 CO -0.24 -0.01 0.34 -0.08 -3.12 0.00 0.00 179.24 176.13 1mjp h GLU 39 N -0.01 0.00 0.17 3.56 4.57 -0.71 0.43 114.58 122.60 1mjp h GLU 39 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1mjp h GLU 39 Cb 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1mjp h GLU 39 CO -0.03 0.00 -0.08 -0.09 -1.18 0.00 0.00 179.01 177.63 1mjp h ARG 40 N 0.00 -0.22 -0.58 1.92 2.43 0.44 -2.54 114.38 115.82 1mjp h ARG 40 Ca 0.01 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.32 1mjp h ARG 40 Cb 0.69 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.20 1mjp h ARG 40 CO -0.00 0.19 0.01 1.15 -1.51 0.00 0.00 179.97 179.82 1mjp h THR 41 N -0.83 0.54 -0.83 0.20 2.02 0.43 0.11 112.91 114.55 1mjp h THR 41 Ca -0.02 -0.05 0.14 0.00 0.77 0.00 0.00 66.41 67.25 1mjp h THR 41 Cb 0.52 0.40 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 1mjp h THR 41 CO 0.04 0.02 0.54 -0.09 0.37 0.00 0.00 175.52 176.40 1mjp h ARG 42 N 0.13 0.57 -0.34 6.66 2.43 -0.68 0.37 114.38 123.53 1mjp h ARG 42 Ca 0.30 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1mjp h ARG 42 Cb 0.48 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1mjp h ARG 42 CO -0.48 0.38 -0.00 0.00 -1.51 0.00 0.00 179.97 178.35 1mjp h ARG 43 N 0.59 0.59 -0.21 0.20 3.08 -0.35 -0.46 114.38 117.83 1mjp h ARG 43 Ca 0.41 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 1mjp h ARG 43 Cb 0.74 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 1mjp h ARG 43 CO -0.16 0.72 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.11 1mjp h LYS 44 N 0.40 0.45 0.00 0.04 3.64 -1.05 -0.24 116.57 119.81 1mjp h LYS 44 Ca 0.10 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1mjp h LYS 44 Cb 0.45 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1mjp h LYS 44 CO 0.02 0.76 0.00 0.28 -2.27 0.00 0.00 179.45 178.23 1mjp n VAL 45 N -4.52 0.00 0.31 2.00 0.31 0.12 0.17 118.33 116.73 1mjp n VAL 45 Ca -0.05 1.49 0.00 0.00 -0.01 0.00 0.00 64.34 65.77 1mjp n VAL 45 Cb 0.35 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 1mjp n VAL 45 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1mjp n ASN 46 N -2.78 0.07 -3.80 4.52 4.13 -0.20 -4.82 115.26 112.38 1mjp n ASN 46 Ca 0.00 -0.38 -0.25 0.00 1.68 0.00 0.00 54.58 55.63 1mjp n ASN 46 Cb 0.00 -0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 1mjp n ASN 46 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1mjp n ASN 47 N -0.19 -4.76 -4.55 6.41 2.85 0.44 -5.00 115.26 110.46 1mjp n ASN 47 Ca 0.00 -0.98 -0.29 0.00 -0.11 0.00 0.00 54.58 53.21 1mjp n ASN 47 Cb 0.02 -1.58 -0.09 0.00 1.24 0.00 0.00 39.78 39.37 1mjp n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1mjp s LEU 48 N -4.95 2.35 0.61 1.20 1.43 -0.14 -4.38 118.68 114.80 1mjp s LEU 48 Ca 0.00 -1.55 0.01 0.00 -1.03 0.00 0.00 54.13 51.56 1mjp s LEU 48 Cb -0.00 -0.59 0.07 0.00 0.03 0.00 0.00 46.19 45.69 1mjp s LEU 48 CO 0.89 -0.74 0.84 -0.13 0.23 0.00 0.00 176.35 177.45 1mjp s ARG 49 N -3.80 2.25 -1.24 1.70 0.52 -1.04 -4.33 118.95 113.02 1mjp s ARG 49 Ca 0.21 -0.94 -0.05 0.00 -0.52 0.00 0.00 55.73 54.42 1mjp s ARG 49 Cb 0.05 -2.45 0.01 0.00 0.52 0.00 0.00 34.95 33.08 1mjp s ARG 49 CO 0.11 -0.96 1.06 0.72 0.02 0.00 0.00 175.30 176.26 1mjp n HIS 50 N -2.49 -2.50 -2.83 -0.53 8.25 -1.26 -4.88 115.22 108.98 1mjp n HIS 50 Ca 0.11 0.94 -0.37 0.00 -0.26 0.00 0.00 57.72 58.14 1mjp n HIS 50 Cb 0.60 -4.89 -0.00 0.00 1.12 0.00 0.00 29.99 26.81 1mjp n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mjp n ALA 51 N -4.54 5.47 -3.26 -1.41 0.00 -1.26 -4.66 120.51 110.85 1mjp n ALA 51 Ca -0.10 -4.68 -0.13 0.00 0.00 0.00 0.00 53.44 48.53 1mjp n ALA 51 Cb 0.60 -1.79 -0.14 0.00 0.00 0.00 0.00 19.45 18.11 1mjp n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1mjp s THR 52 N -3.97 -0.02 0.12 0.00 -4.23 -1.26 -4.81 115.64 101.47 1mjp s THR 52 Ca 0.40 0.09 -0.33 0.00 -1.18 0.00 0.00 61.69 60.67 1mjp s THR 52 Cb 0.18 -0.09 -0.11 0.00 1.34 0.00 0.00 72.50 73.82 1mjp s THR 52 CO -0.08 0.04 1.55 0.78 -0.54 0.00 0.00 174.62 176.37 1mjp h ASN 53 N 6.59 -1.77 -0.26 3.99 4.21 -1.93 -2.38 115.58 124.02 1mjp h ASN 53 Ca -0.33 0.22 0.02 0.00 1.21 0.00 0.00 56.30 57.43 1mjp h ASN 53 Cb 1.17 0.71 -0.03 0.00 -1.12 0.00 0.00 38.32 39.05 1mjp h ASN 53 CO 0.48 -0.45 -0.16 -1.20 -1.29 0.00 0.00 177.43 174.82 1mjp n SER 54 N -5.41 -0.28 -0.34 5.81 7.64 -1.26 0.21 113.62 120.00 1mjp n SER 54 Ca -0.05 1.00 0.16 0.00 1.01 0.00 0.00 58.87 60.99 1mjp n SER 54 Cb 0.36 -0.33 0.36 0.00 -1.01 0.00 0.00 64.21 63.60 1mjp n SER 54 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1mjp h GLU 55 N 0.00 0.53 0.00 1.43 5.08 -1.83 0.85 114.58 120.64 1mjp h GLU 55 Ca 0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1mjp h GLU 55 Cb 0.11 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1mjp h GLU 55 CO -0.25 0.35 0.00 1.28 -1.00 0.00 0.00 179.01 179.40 1mjp n LEU 56 N -4.92 0.00 -0.33 1.33 4.77 0.13 -0.86 117.00 117.12 1mjp n LEU 56 Ca 0.25 0.67 -0.02 0.00 -0.03 0.00 0.00 56.01 56.88 1mjp n LEU 56 Cb 0.71 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 1mjp n LEU 56 CO 0.16 -0.17 0.48 0.18 -1.33 0.00 0.00 177.39 176.70 1mjp n LEU 57 N -1.28 -0.61 -0.35 2.23 4.77 -0.83 0.15 117.00 121.08 1mjp n LEU 57 Ca 0.00 1.47 0.09 0.00 -0.03 0.00 0.00 56.01 57.55 1mjp n LEU 57 Cb 0.00 -0.31 0.20 0.00 -2.33 0.00 0.00 43.42 40.98 1mjp n LEU 57 CO 0.00 -1.30 0.72 0.00 -1.33 0.00 0.00 177.39 175.48 1mjp h GLU 59 N 0.00 -0.19 -0.34 0.00 5.08 0.35 -2.93 114.58 116.54 1mjp h GLU 59 Ca 0.53 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.96 1mjp h GLU 59 Cb 0.93 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.14 1mjp h GLU 59 CO -0.99 0.08 -0.40 0.00 -1.00 0.00 0.00 179.01 176.70 1mjp h ALA 60 N 0.34 -0.41 -2.29 3.43 0.00 0.15 0.10 119.26 120.58 1mjp h ALA 60 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1mjp h ALA 60 Cb 0.36 0.83 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1mjp h ALA 60 CO 0.03 -0.85 0.00 0.34 0.00 0.00 0.00 179.25 178.78 1mjp n PHE 61 N -5.42 0.00 -0.27 0.00 7.35 0.14 -0.30 117.46 118.97 1mjp n PHE 61 Ca -0.01 0.00 0.23 0.00 -0.76 0.00 0.00 57.45 56.90 1mjp n PHE 61 Cb 0.35 -0.12 0.42 0.00 0.35 0.00 0.00 39.48 40.48 1mjp n PHE 61 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1mjp n LEU 62 N -1.13 0.19 -0.03 -2.13 4.77 -1.11 0.17 117.00 117.73 1mjp n LEU 62 Ca 0.00 1.36 -0.13 0.00 -0.03 0.00 0.00 56.01 57.22 1mjp n LEU 62 Cb 0.00 -0.62 -0.08 0.00 -2.33 0.00 0.00 43.42 40.39 1mjp n LEU 62 CO 0.00 -1.49 0.68 -0.74 -1.33 0.00 0.00 177.39 174.51 1mjp h HIS 63 N 0.00 0.16 0.08 -1.77 -0.00 -0.43 -1.41 115.15 111.78 1mjp h HIS 63 Ca 0.64 -0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.99 1mjp h HIS 63 Cb 1.63 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 28.97 1mjp h HIS 63 CO -0.11 0.50 -0.18 0.00 -0.00 0.00 0.00 177.93 178.14 1mjp h ALA 64 N 0.64 -0.28 0.57 5.26 0.00 0.48 1.35 119.26 127.28 1mjp h ALA 64 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1mjp h ALA 64 Cb 0.45 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1mjp h ALA 64 CO 0.01 -0.69 -0.28 0.35 0.00 0.00 0.00 179.25 178.64 1mjp h PHE 65 N -0.33 -0.72 0.00 0.00 3.57 -0.77 -3.22 116.94 115.47 1mjp h PHE 65 Ca 0.03 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1mjp h PHE 65 Cb 0.36 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1mjp h PHE 65 CO -0.19 -0.44 0.00 1.79 -2.23 0.00 0.00 178.31 177.24 1mjp h THR 66 N -1.09 0.00 0.00 4.41 1.35 -1.33 -3.46 112.91 112.79 1mjp h THR 66 Ca -0.08 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1mjp h THR 66 Cb 0.59 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1mjp h THR 66 CO 0.13 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1mjp n GLY 67 N 0.34 0.99 3.59 5.82 0.00 0.46 -4.66 105.19 111.72 1mjp n GLY 67 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1mjp n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mjp n GLN 68 N -2.02 -0.05 -2.14 1.61 7.27 -0.77 -4.72 117.38 116.55 1mjp n GLN 68 Ca 0.00 0.05 -0.34 0.00 0.07 0.00 0.00 57.00 56.79 1mjp n GLN 68 Cb 0.00 -2.20 0.01 0.00 2.41 0.00 0.00 30.24 30.46 1mjp n GLN 68 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1mjp s PRO 69 N -3.91 3.32 -0.19 3.69 0.04 -1.26 -4.34 135.00 132.35 1mjp s PRO 69 Ca 0.67 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 1mjp s PRO 69 Cb -0.27 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 1mjp s PRO 69 CO 0.57 -0.83 0.24 -0.51 0.04 0.00 0.00 177.00 176.51 1mjp s LEU 70 N -4.21 4.20 0.59 -3.56 1.43 -1.26 -4.86 118.68 111.01 1mjp s LEU 70 Ca 0.67 0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 53.93 1mjp s LEU 70 Cb -0.19 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 1mjp s LEU 70 CO 0.32 0.09 0.97 -0.81 0.23 0.00 0.00 176.35 177.15 1mjp n PRO 71 N 3.83 0.93 -4.17 1.29 -0.04 -1.26 -5.00 135.00 130.58 1mjp n PRO 71 Ca -0.13 0.36 -0.26 0.00 -0.04 0.00 0.00 63.50 63.43 1mjp n PRO 71 Cb 0.52 -2.17 -0.07 0.00 -0.04 0.00 0.00 33.50 31.74 1mjp n PRO 71 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1mjp s ASP 72 N -1.21 4.98 0.11 3.54 1.47 -1.26 -4.96 116.67 119.33 1mjp s ASP 72 Ca 0.75 -0.32 -0.02 0.00 1.18 0.00 0.00 52.55 54.14 1mjp s ASP 72 Cb -0.42 -1.13 0.20 0.00 -0.34 0.00 0.00 42.92 41.22 1mjp s ASP 72 CO 0.48 0.08 0.58 0.47 0.68 0.00 0.00 175.17 177.46 1mjp n ASP 73 N -0.19 -0.11 0.08 2.11 9.92 -1.26 -0.36 116.55 126.75 1mjp n ASP 73 Ca -0.09 0.63 -0.15 0.00 -0.53 0.00 0.00 54.79 54.65 1mjp n ASP 73 Cb 0.55 -0.20 -0.09 0.00 -0.64 0.00 0.00 41.12 40.74 1mjp n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mjp h ALA 74 N 0.74 -0.89 -0.89 2.24 0.00 -1.97 -0.35 119.26 118.13 1mjp h ALA 74 Ca 0.19 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1mjp h ALA 74 Cb 0.32 0.87 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1mjp h ALA 74 CO -0.37 -1.08 0.51 -0.44 0.00 0.00 0.00 179.25 177.87 1mjp h ASP 75 N -0.69 0.71 0.50 0.00 3.32 -1.08 0.42 116.42 119.60 1mjp h ASP 75 Ca 0.01 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1mjp h ASP 75 Cb 0.72 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 1mjp h ASP 75 CO -0.31 0.36 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.46 1mjp h LEU 76 N 0.80 0.00 -9.06 1.55 3.38 -0.99 -3.45 115.31 107.54 1mjp h LEU 76 Ca 0.45 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.71 1mjp h LEU 76 Cb 0.51 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.34 1mjp h LEU 76 CO -0.29 0.04 -0.19 0.54 0.09 0.00 0.00 178.44 178.63 1mjp n ARG 77 N -3.25 0.19 -0.16 1.13 5.12 0.14 -2.48 116.66 117.34 1mjp n ARG 77 Ca -0.01 0.07 -0.07 0.00 -1.93 0.00 0.00 57.85 55.90 1mjp n ARG 77 Cb 0.21 -1.33 0.02 0.00 -1.16 0.00 0.00 32.46 30.20 1mjp n ARG 77 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1mjp h LYS 78 N 2.08 0.63 -0.83 5.56 1.57 -1.87 -2.91 116.57 120.79 1mjp h LYS 78 Ca -0.39 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1mjp h LYS 78 Cb 1.42 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 1mjp h LYS 78 CO 0.62 0.41 0.46 0.93 -0.57 0.00 0.00 179.45 181.31 1mjp h GLU 79 N 0.65 1.15 -6.02 3.15 3.07 -1.95 -3.41 114.58 111.22 1mjp h GLU 79 Ca 0.18 -0.13 -0.60 0.00 -0.50 0.00 0.00 59.36 58.30 1mjp h GLU 79 Cb -0.07 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 27.61 1mjp h GLU 79 CO -0.04 0.84 1.45 -2.13 -1.40 0.00 0.00 179.01 177.73 1mjp n ARG 80 N -4.40 1.84 -0.77 2.33 0.63 -1.10 -4.94 116.66 110.24 1mjp n ARG 80 Ca 0.08 0.52 -0.33 0.00 -0.92 0.00 0.00 57.85 57.21 1mjp n ARG 80 Cb 0.09 -3.05 0.13 0.00 0.45 0.00 0.00 32.46 30.08 1mjp n ARG 80 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1mjp n SER 81 N 10.92 -2.15 -4.57 6.15 2.88 -1.26 -4.82 113.62 120.78 1mjp n SER 81 Ca 0.31 0.25 -0.41 0.00 -1.33 0.00 0.00 58.87 57.70 1mjp n SER 81 Cb 0.40 -1.16 -0.03 0.00 -0.75 0.00 0.00 64.21 62.67 1mjp n SER 81 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1mjp s ASP 82 N -1.99 5.79 0.00 -3.46 -1.08 -1.26 -4.92 116.67 109.76 1mjp s ASP 82 Ca 0.57 0.39 0.00 0.00 -0.52 0.00 0.00 52.55 52.98 1mjp s ASP 82 Cb -0.19 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 1mjp s ASP 82 CO 0.67 -1.96 0.00 -0.62 0.52 0.00 0.00 175.17 173.78 1mjp n GLU 83 N 8.87 0.00 -2.22 4.34 1.02 -1.26 -5.16 120.64 126.23 1mjp n GLU 83 Ca 0.16 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.89 1mjp n GLU 83 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.89 1mjp n GLU 83 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1mjp s ILE 84 N -2.78 3.19 1.14 -3.67 1.01 -1.26 -5.02 121.20 113.82 1mjp s ILE 84 Ca 0.00 1.00 -0.16 0.00 0.00 0.00 0.00 60.65 61.49 1mjp s ILE 84 Cb 0.00 -3.64 0.20 0.00 0.01 0.00 0.00 42.46 39.03 1mjp s ILE 84 CO 0.00 0.16 0.52 -2.65 0.00 0.00 0.00 174.94 172.97 1mjp n PRO 85 N 2.48 -1.99 0.16 2.79 -0.02 -1.26 -4.82 135.00 132.34 1mjp n PRO 85 Ca 0.06 -0.56 -0.13 0.00 -2.02 0.00 0.00 63.50 60.85 1mjp n PRO 85 Cb 0.43 -1.94 -0.07 0.00 -0.02 0.00 0.00 33.50 31.89 1mjp n PRO 85 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1mjp h GLU 86 N -2.36 -0.65 -0.59 -0.52 4.81 -1.96 -3.08 114.58 110.22 1mjp h GLU 86 Ca -0.57 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 58.80 1mjp h GLU 86 Cb 1.34 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.80 1mjp h GLU 86 CO 0.43 -0.43 0.20 0.00 -0.73 0.00 0.00 179.01 178.48 1mjp h ALA 87 N -0.99 0.75 -1.00 2.92 0.00 -1.97 -1.26 119.26 117.71 1mjp h ALA 87 Ca -0.03 0.09 0.24 0.00 0.00 0.00 0.00 54.91 55.21 1mjp h ALA 87 Cb 0.62 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 1mjp h ALA 87 CO -0.12 -0.22 0.60 0.00 0.00 0.00 0.00 179.25 179.52 1mjp h ALA 88 N 1.42 1.78 -0.49 0.00 0.00 -1.90 0.48 119.26 120.55 1mjp h ALA 88 Ca 0.30 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1mjp h ALA 88 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1mjp h ALA 88 CO -0.32 -0.24 0.22 0.87 0.00 0.00 0.00 179.25 179.78 1mjp h LYS 89 N 0.61 0.71 0.00 0.00 1.57 -1.15 -0.92 116.57 117.39 1mjp h LYS 89 Ca 0.64 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1mjp h LYS 89 Cb 1.18 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1mjp h LYS 89 CO -0.46 0.60 0.00 -1.91 -0.57 0.00 0.00 179.45 177.11 1mjp n GLU 90 N -4.61 0.00 0.24 3.15 4.07 0.16 0.18 120.64 123.84 1mjp n GLU 90 Ca 0.02 0.21 0.18 0.00 -0.06 0.00 0.00 57.16 57.50 1mjp n GLU 90 Cb 0.13 -0.91 0.84 0.00 -0.06 0.00 0.00 31.44 31.43 1mjp n GLU 90 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1mjp h ILE 91 N 0.00 0.21 0.15 6.31 5.03 -1.57 0.72 117.51 128.36 1mjp h ILE 91 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.73 1mjp h ILE 91 Cb 0.00 0.73 0.00 0.00 -3.03 0.00 0.00 36.82 34.52 1mjp h ILE 91 CO 0.00 0.00 -0.07 0.24 -0.68 0.00 0.00 178.15 177.64 1mjp h MET 92 N 0.00 -0.19 -0.81 2.37 2.86 -0.82 -2.18 114.93 116.16 1mjp h MET 92 Ca 0.07 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1mjp h MET 92 Cb 0.68 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.33 1mjp h MET 92 CO -0.00 0.25 0.51 0.00 1.06 0.00 0.00 176.91 178.73 1mjp h ARG 93 N -0.79 0.95 -0.67 1.72 3.08 0.61 -0.67 114.38 118.61 1mjp h ARG 93 Ca -0.02 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.98 1mjp h ARG 93 Cb 0.53 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1mjp h ARG 93 CO 0.03 0.63 0.45 0.93 -1.07 0.00 0.00 179.97 180.94 1mjp h GLU 94 N 0.98 0.89 -1.41 0.04 5.08 0.18 -1.61 114.58 118.73 1mjp h GLU 94 Ca 0.33 -0.05 -0.39 0.00 -1.00 0.00 0.00 59.36 58.24 1mjp h GLU 94 Cb 0.04 -0.20 -0.17 0.00 0.50 0.00 0.00 28.75 28.93 1mjp h GLU 94 CO -0.13 0.59 0.51 -1.33 -1.00 0.00 0.00 179.01 177.65 1mjp n MET 95 N -4.43 1.98 -4.15 2.33 2.81 -0.51 -4.88 117.12 110.27 1mjp n MET 95 Ca 0.07 -1.91 -0.28 0.00 -1.81 0.00 0.00 57.70 53.77 1mjp n MET 95 Cb 0.04 -1.75 -0.09 0.00 -0.71 0.00 0.00 33.22 30.71 1mjp n MET 95 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mjp n GLY 96 N 0.08 -0.12 3.04 3.03 0.00 -0.61 -4.94 105.19 105.69 1mjp n GLY 96 Ca 0.37 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 46.23 1mjp n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjp s ILE 97 N -4.26 2.06 -0.04 -0.61 1.01 -0.38 -5.00 121.20 113.98 1mjp s ILE 97 Ca 0.00 -1.59 -0.30 0.00 0.00 0.00 0.00 60.65 58.77 1mjp s ILE 97 Cb -0.00 -2.21 -0.07 0.00 0.01 0.00 0.00 42.46 40.19 1mjp s ILE 97 CO 0.91 -0.06 1.87 0.21 0.00 0.00 0.00 174.94 177.86 1mjp s ASN 98 N 1.15 6.40 0.10 3.58 3.84 -1.26 -3.46 114.94 125.28 1mjp s ASN 98 Ca -0.08 2.35 -0.26 0.00 0.21 0.00 0.00 52.86 55.08 1mjp s ASN 98 Cb -0.20 -2.53 -0.10 0.00 -0.55 0.00 0.00 41.25 37.87 1mjp s ASN 98 CO -0.05 -1.14 1.66 -0.65 -2.79 0.00 0.00 177.10 174.13 1mjp h PRO 99 N 10.79 -0.38 0.00 0.43 0.11 -1.93 -0.41 132.00 140.61 1mjp h PRO 99 Ca -0.44 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1mjp h PRO 99 Cb 1.21 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1mjp h PRO 99 CO 0.95 -0.25 0.00 0.39 -0.21 0.00 0.00 178.00 178.88 1mjp n GLU 100 N -5.32 0.87 -0.05 1.05 -0.58 -1.26 -2.16 120.64 113.19 1mjp n GLU 100 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1mjp n GLU 100 Cb 0.23 -1.06 -0.13 0.00 -0.57 0.00 0.00 31.44 29.91 1mjp n GLU 100 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1mjp n THR 101 N -0.56 0.57 -1.81 2.62 5.66 -0.41 -4.93 114.28 115.42 1mjp n THR 101 Ca 0.02 -0.55 -0.36 0.00 -3.05 0.00 0.00 64.05 60.11 1mjp n THR 101 Cb 0.01 -0.24 -0.03 0.00 -1.55 0.00 0.00 70.33 68.52 1mjp n THR 101 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 1mjp s TRP 102 N -2.80 1.39 0.30 1.09 -0.00 -0.30 -4.97 118.94 113.64 1mjp s TRP 102 Ca -0.07 1.17 -0.29 0.00 -0.00 0.00 0.00 56.10 56.90 1mjp s TRP 102 Cb 0.08 -3.84 -0.10 0.00 -0.00 0.00 0.00 33.47 29.61 1mjp s TRP 102 CO 0.70 -2.37 1.23 -1.83 -0.00 0.00 0.00 176.95 174.68 1mjp s GLU 103 N 7.64 4.47 0.00 5.86 1.03 -1.26 -5.05 118.70 131.39 1mjp s GLU 103 Ca 0.81 2.04 0.00 0.00 0.03 0.00 0.00 54.97 57.86 1mjp s GLU 103 Cb -0.14 -3.13 0.00 0.00 -0.80 0.00 0.00 34.13 30.06 1mjp s GLU 103 CO 0.22 -0.05 0.00 2.48 -1.33 0.00 0.00 175.26 176.59