#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jsr s GLN 4 N 0.00 0.46 -0.06 1.64 -2.07 -0.34 -4.55 119.66 114.74 3jsr s GLN 4 Ca 0.00 -0.20 -0.20 0.00 -1.82 0.00 0.00 55.36 53.14 3jsr s GLN 4 Cb 0.00 0.19 -0.04 0.00 -1.09 0.00 0.00 33.01 32.07 3jsr s GLN 4 CO 0.00 -0.21 0.58 0.99 -1.32 0.00 0.00 175.29 175.33 3jsr s THR 5 N -2.59 5.05 -0.09 3.63 2.01 -1.26 -1.89 115.64 120.50 3jsr s THR 5 Ca 0.10 1.19 0.02 0.00 0.31 0.00 0.00 61.69 63.31 3jsr s THR 5 Cb 0.00 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 3jsr s THR 5 CO -0.05 0.34 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.76 3jsr s TYR 6 N 0.36 2.72 0.03 4.92 1.51 -0.06 -4.66 117.35 122.17 3jsr s TYR 6 Ca 0.31 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 3jsr s TYR 6 Cb -0.17 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 3jsr s TYR 6 CO 0.15 -0.09 0.02 0.71 -1.11 0.00 0.00 175.55 175.23 3jsr s TYR 7 N -0.07 3.09 0.06 2.71 1.51 0.20 -1.37 117.35 123.48 3jsr s TYR 7 Ca -0.03 0.07 -0.04 0.00 -1.01 0.00 0.00 57.07 56.06 3jsr s TYR 7 Cb -0.14 -1.65 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 3jsr s TYR 7 CO 0.04 0.48 0.05 1.52 -1.11 0.00 0.00 175.55 176.53 3jsr s TYR 8 N -1.18 0.36 -0.09 2.71 1.13 -0.27 -0.69 117.35 119.33 3jsr s TYR 8 Ca 0.22 -0.84 0.03 0.00 -1.41 0.00 0.00 57.07 55.08 3jsr s TYR 8 Cb -0.12 -0.26 0.01 0.00 -1.10 0.00 0.00 41.96 40.49 3jsr s TYR 8 CO 0.14 -0.42 -0.18 0.54 -2.51 0.00 0.00 175.55 173.11 3jsr s VAL 9 N -3.64 1.63 -0.00 -3.49 0.11 -0.57 -1.80 120.40 112.64 3jsr s VAL 9 Ca 0.04 -0.77 0.08 0.00 -2.93 0.00 0.00 61.98 58.40 3jsr s VAL 9 Cb 0.05 -1.44 -0.02 0.00 -1.53 0.00 0.00 36.38 33.44 3jsr s VAL 9 CO -0.09 0.47 -0.24 -0.22 -3.33 0.00 0.00 175.10 171.68 3jsr s LEU 10 N 0.52 2.08 0.38 2.54 2.96 0.87 -1.57 118.68 126.47 3jsr s LEU 10 Ca -0.16 -0.47 -0.15 0.00 -0.22 0.00 0.00 54.13 53.13 3jsr s LEU 10 Cb -0.17 -1.21 0.05 0.00 0.50 0.00 0.00 46.19 45.36 3jsr s LEU 10 CO 0.06 0.27 0.77 0.00 -1.32 0.00 0.00 176.35 176.13 3jsr s ALA 11 N -0.63 -0.64 0.52 5.97 0.00 -0.83 -1.61 121.76 124.54 3jsr s ALA 11 Ca 0.09 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 51.07 3jsr s ALA 11 Cb -0.09 0.71 -0.07 0.00 0.00 0.00 0.00 23.12 23.66 3jsr s ALA 11 CO -0.00 -0.97 1.02 -1.54 0.00 0.00 0.00 175.76 174.27 3jsr s SER 12 N -3.08 6.29 0.26 0.00 1.04 -1.26 -1.11 113.70 115.84 3jsr s SER 12 Ca 0.16 1.80 -0.05 0.00 0.48 0.00 0.00 55.95 58.34 3jsr s SER 12 Cb -0.05 -2.54 0.30 0.00 0.10 0.00 0.00 66.02 63.83 3jsr s SER 12 CO 0.12 -0.82 1.93 -0.09 0.98 0.00 0.00 173.24 175.37 3jsr h ARG 13 N 1.13 1.27 -0.82 4.02 2.43 -1.12 -2.36 114.38 118.92 3jsr h ARG 13 Ca -0.48 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 58.66 3jsr h ARG 13 Cb 1.21 -0.28 -0.06 0.00 -0.42 0.00 0.00 29.97 30.42 3jsr h ARG 13 CO 0.59 0.84 0.51 -0.09 -1.51 0.00 0.00 179.97 180.32 3jsr h ARG 14 N 1.30 0.93 0.09 0.20 2.43 -1.92 -0.75 114.38 116.66 3jsr h ARG 14 Ca 0.35 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3jsr h ARG 14 Cb -0.14 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.20 3jsr h ARG 14 CO -0.07 0.62 -0.04 0.35 -1.51 0.00 0.00 179.97 179.31 3jsr h PHE 15 N 0.96 -0.12 -0.59 2.20 3.57 -1.82 -0.76 116.94 120.39 3jsr h PHE 15 Ca 0.34 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.74 3jsr h PHE 15 Cb 0.10 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3jsr h PHE 15 CO -0.03 0.21 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.16 3jsr h LEU 16 N -0.45 1.03 -1.62 0.59 3.38 -1.29 0.24 115.31 117.19 3jsr h LEU 16 Ca -0.01 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3jsr h LEU 16 Cb 0.38 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3jsr h LEU 16 CO 0.02 1.10 -0.11 0.18 0.09 0.00 0.00 178.44 179.71 3jsr n LEU 17 N -4.17 2.60 0.09 1.67 4.32 -0.30 -3.13 117.00 118.07 3jsr n LEU 17 Ca 0.03 -0.94 0.00 0.00 -0.02 0.00 0.00 56.01 55.08 3jsr n LEU 17 Cb 0.36 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.16 3jsr n LEU 17 CO 0.44 0.45 -0.02 1.67 -1.22 0.00 0.00 177.39 178.71 3jsr n GLN 18 N 0.91 0.00 0.17 3.23 7.27 -0.37 -4.80 117.38 123.79 3jsr n GLN 18 Ca 0.12 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 57.07 3jsr n GLN 18 Cb 0.52 -0.24 -0.07 0.00 2.41 0.00 0.00 30.24 32.86 3jsr n GLN 18 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3jsr h GLU 19 N 0.00 -0.47 -2.73 3.69 4.39 -1.14 -3.39 114.58 114.93 3jsr h GLU 19 Ca 0.00 0.03 -0.61 0.00 0.34 0.00 0.00 59.36 59.12 3jsr h GLU 19 Cb 0.04 0.11 -0.41 0.00 -0.10 0.00 0.00 28.75 28.38 3jsr h GLU 19 CO 0.00 -0.16 -0.66 -1.91 -1.16 0.00 0.00 179.01 175.13 3jsr n GLU 20 N -5.13 1.73 -1.70 2.33 4.07 0.83 -5.05 120.64 117.72 3jsr n GLU 20 Ca -0.09 -4.30 -0.44 0.00 -0.06 0.00 0.00 57.16 52.27 3jsr n GLU 20 Cb 0.27 -2.15 -0.02 0.00 -0.06 0.00 0.00 31.44 29.48 3jsr n GLU 20 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3jsr n PRO 21 N 1.78 2.30 -0.25 5.31 -0.04 -1.23 -4.48 135.00 138.40 3jsr n PRO 21 Ca 0.24 0.82 0.07 0.00 -0.04 0.00 0.00 63.50 64.58 3jsr n PRO 21 Cb 0.39 -2.53 0.19 0.00 -0.04 0.00 0.00 33.50 31.52 3jsr n PRO 21 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3jsr n ILE 22 N 2.05 1.14 0.04 0.52 -6.64 -1.18 -4.68 119.36 110.61 3jsr n ILE 22 Ca 0.11 -1.08 -0.11 0.00 -1.77 0.00 0.00 62.75 59.90 3jsr n ILE 22 Cb 0.33 0.42 -0.05 0.00 -1.44 0.00 0.00 39.64 38.91 3jsr n ILE 22 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 3jsr h GLU 23 N 2.42 -0.14 -0.89 6.28 4.81 -1.91 -1.65 114.58 123.49 3jsr h GLU 23 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3jsr h GLU 23 Cb 0.86 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 3jsr h GLU 23 CO 0.03 -0.09 0.49 0.93 -0.73 0.00 0.00 179.01 179.64 3jsr h GLU 24 N -0.15 1.24 0.03 1.92 4.39 -1.99 0.88 114.58 120.89 3jsr h GLU 24 Ca 0.04 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 3jsr h GLU 24 Cb 0.20 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3jsr h GLU 24 CO -0.11 0.90 -0.01 0.28 -1.16 0.00 0.00 179.01 178.91 3jsr h VAL 25 N 1.24 0.98 -0.26 3.13 2.07 -1.80 0.05 116.25 121.66 3jsr h VAL 25 Ca 0.31 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.74 3jsr h VAL 25 Cb 0.02 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3jsr h VAL 25 CO -0.05 0.00 -0.22 -0.07 0.02 0.00 0.00 177.57 177.25 3jsr h LEU 26 N -0.04 0.47 -0.26 2.57 3.38 -1.02 -1.72 115.31 118.69 3jsr h LEU 26 Ca -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3jsr h LEU 26 Cb 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3jsr h LEU 26 CO 0.01 0.70 0.08 0.50 0.09 0.00 0.00 178.44 179.81 3jsr h LYS 27 N 0.43 0.41 -0.01 1.13 3.64 -0.51 -0.69 116.57 120.97 3jsr h LYS 27 Ca 0.07 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3jsr h LYS 27 Cb 0.62 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3jsr h LYS 27 CO 0.04 0.49 0.00 1.49 -2.27 0.00 0.00 179.45 179.20 3jsr h GLU 28 N 0.26 0.01 -0.81 1.90 4.57 -0.79 -0.78 114.58 118.93 3jsr h GLU 28 Ca 0.08 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 3jsr h GLU 28 Cb 0.25 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 3jsr h GLU 28 CO -0.00 0.00 0.39 -0.09 -1.18 0.00 0.00 179.01 178.14 3jsr h ARG 29 N 0.01 1.17 -0.68 1.92 2.43 -1.26 -1.09 114.38 116.88 3jsr h ARG 29 Ca 0.00 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 3jsr h ARG 29 Cb 0.00 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 3jsr h ARG 29 CO -0.01 0.90 0.21 1.15 -1.51 0.00 0.00 179.97 180.71 3jsr h THR 30 N 1.15 1.25 -0.36 0.20 2.02 -0.92 -0.77 112.91 115.47 3jsr h THR 30 Ca 0.28 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 3jsr h THR 30 Cb 0.11 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3jsr h THR 30 CO -0.04 0.33 0.12 -0.09 0.37 0.00 0.00 175.52 176.22 3jsr h ARG 31 N 1.00 0.56 -0.55 6.66 2.43 -0.52 -1.80 114.38 122.16 3jsr h ARG 31 Ca 0.22 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3jsr h ARG 31 Cb 0.28 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3jsr h ARG 31 CO -0.01 0.57 0.25 1.25 -1.51 0.00 0.00 179.97 180.52 3jsr h HIS 32 N 0.44 0.80 -0.50 2.20 2.76 -0.90 -2.12 115.15 117.83 3jsr h HIS 32 Ca 0.12 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3jsr h HIS 32 Cb 0.23 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 3jsr h HIS 32 CO 0.01 0.63 0.33 1.88 -1.30 0.00 0.00 177.93 179.48 3jsr h TYR 33 N 0.74 0.63 0.24 5.26 -1.99 -0.97 -1.57 116.97 119.30 3jsr h TYR 33 Ca 0.19 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.92 3jsr h TYR 33 Cb 0.14 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 38.66 3jsr h TYR 33 CO -0.00 0.40 -0.11 1.25 -0.00 0.00 0.00 178.16 179.69 3jsr h HIS 34 N 0.68 -0.30 0.00 4.88 2.76 -0.70 0.52 115.15 123.00 3jsr h HIS 34 Ca 0.18 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 3jsr h HIS 34 Cb -0.08 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 3jsr h HIS 34 CO 0.00 -0.02 -0.02 1.05 -1.30 0.00 0.00 177.93 177.64 3jsr h GLU 35 N -0.56 0.00 -0.02 5.26 4.11 -1.20 0.91 114.58 123.09 3jsr h GLU 35 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 3jsr h GLU 35 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3jsr h GLU 35 CO 0.05 0.02 -0.17 1.04 0.07 0.00 0.00 179.01 180.03 3jsr n GLN 36 N -3.19 1.51 -3.98 1.06 1.13 -0.61 -4.94 117.38 108.37 3jsr n GLN 36 Ca -0.01 -1.08 -0.30 0.00 -1.94 0.00 0.00 57.00 53.67 3jsr n GLN 36 Cb 0.20 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.08 3jsr n GLN 36 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3jsr n GLU 37 N 0.20 -4.42 -4.05 -1.09 1.02 0.31 -4.94 120.64 107.68 3jsr n GLU 37 Ca 0.14 0.51 -0.36 0.00 -0.02 0.00 0.00 57.16 57.42 3jsr n GLU 37 Cb 0.44 -5.17 -0.07 0.00 -0.02 0.00 0.00 31.44 26.61 3jsr n GLU 37 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3jsr s LYS 38 N -6.60 3.34 0.15 3.49 2.20 0.16 -5.02 119.74 117.47 3jsr s LYS 38 Ca 0.47 -0.24 -0.31 0.00 -0.36 0.00 0.00 55.97 55.54 3jsr s LYS 38 Cb -0.25 -3.07 -0.09 0.00 -1.51 0.00 0.00 37.83 32.92 3jsr s LYS 38 CO 0.86 0.71 1.41 -2.00 -0.36 0.00 0.00 175.35 175.98 3jsr s GLU 39 N -0.86 4.31 0.20 4.03 2.12 -1.26 -4.60 118.70 122.64 3jsr s GLU 39 Ca 0.13 2.15 -0.32 0.00 0.36 0.00 0.00 54.97 57.29 3jsr s GLU 39 Cb -0.12 -3.21 -0.13 0.00 0.26 0.00 0.00 34.13 30.94 3jsr s GLU 39 CO 0.03 -0.43 1.66 -0.89 -0.54 0.00 0.00 175.26 175.08 3jsr n ILE 40 N 3.54 0.10 -2.10 -3.70 2.08 -1.26 -4.90 119.36 113.12 3jsr n ILE 40 Ca 0.10 -0.03 0.04 0.00 0.56 0.00 0.00 62.75 63.43 3jsr n ILE 40 Cb 0.41 -1.81 0.07 0.00 -0.75 0.00 0.00 39.64 37.56 3jsr n ILE 40 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3jsr n ASP 41 N 3.60 1.10 -3.85 4.38 5.68 -1.26 -5.05 116.55 121.15 3jsr n ASP 41 Ca 0.16 -2.53 -0.12 0.00 -0.50 0.00 0.00 54.79 51.80 3jsr n ASP 41 Cb 0.33 -0.35 -0.11 0.00 -1.14 0.00 0.00 41.12 39.85 3jsr n ASP 41 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 3jsr s PHE 42 N -0.98 -0.05 -0.10 2.11 -0.12 -1.26 -2.30 117.98 115.27 3jsr s PHE 42 Ca 0.29 0.12 -0.09 0.00 -0.05 0.00 0.00 56.93 57.21 3jsr s PHE 42 Cb 0.31 -0.00 0.03 0.00 -0.63 0.00 0.00 43.02 42.73 3jsr s PHE 42 CO -0.10 -0.18 0.26 -1.58 -0.05 0.00 0.00 175.22 173.56 3jsr s TRP 43 N -0.66 -0.29 -0.22 3.49 0.51 0.97 -4.99 118.94 117.77 3jsr s TRP 43 Ca -0.07 0.70 -0.22 0.00 -2.12 0.00 0.00 56.10 54.39 3jsr s TRP 43 Cb -0.04 0.09 -0.02 0.00 -0.81 0.00 0.00 33.47 32.69 3jsr s TRP 43 CO 0.01 -0.14 0.68 -1.17 -0.51 0.00 0.00 176.95 175.82 3jsr s LEU 44 N 0.23 4.12 -0.31 2.99 2.96 -1.26 -0.85 118.68 126.55 3jsr s LEU 44 Ca -0.01 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 54.78 3jsr s LEU 44 Cb -0.02 -2.97 0.10 0.00 0.50 0.00 0.00 46.19 43.80 3jsr s LEU 44 CO -0.00 -0.35 0.07 -0.69 -1.32 0.00 0.00 176.35 174.06 3jsr s VAL 45 N 2.24 1.28 0.35 1.68 1.01 0.10 -5.00 120.40 122.06 3jsr s VAL 45 Ca 0.30 -1.61 -0.28 0.00 0.00 0.00 0.00 61.98 60.40 3jsr s VAL 45 Cb -0.16 -1.92 -0.10 0.00 0.00 0.00 0.00 36.38 34.20 3jsr s VAL 45 CO 0.10 -0.60 1.26 -2.84 0.00 0.00 0.00 175.10 173.01 3jsr s PRO 46 N 1.42 4.26 -0.94 2.72 0.02 -1.26 -1.47 135.00 139.75 3jsr s PRO 46 Ca 0.09 2.09 -0.18 0.00 0.02 0.00 0.00 61.00 63.02 3jsr s PRO 46 Cb -0.18 -2.96 0.02 0.00 0.02 0.00 0.00 34.50 31.41 3jsr s PRO 46 CO -0.19 -0.22 0.58 0.94 -0.33 0.00 0.00 177.00 177.78 3jsr n GLN 47 N 0.59 -0.78 -1.73 5.54 -0.06 0.12 -3.82 117.38 117.24 3jsr n GLN 47 Ca 0.01 0.30 -0.42 0.00 -2.00 0.00 0.00 57.00 54.89 3jsr n GLN 47 Cb 0.43 -2.05 -0.01 0.00 -4.06 0.00 0.00 30.24 24.55 3jsr n GLN 47 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 3jsr n PRO 48 N -3.69 2.45 0.21 3.69 -0.04 -1.24 -0.70 135.00 135.69 3jsr n PRO 48 Ca -0.19 0.86 0.05 0.00 -0.04 0.00 0.00 63.50 64.18 3jsr n PRO 48 Cb 0.56 -2.57 0.47 0.00 -0.04 0.00 0.00 33.50 31.92 3jsr n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jsr h ALA 49 N 3.72 1.55 0.00 0.55 0.00 -1.41 -2.62 119.26 121.05 3jsr h ALA 49 Ca -0.47 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 3jsr h ALA 49 Cb 1.25 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3jsr h ALA 49 CO 0.71 0.31 -0.02 0.27 0.00 0.00 0.00 179.25 180.52 3jsr h PHE 50 N 0.00 0.00 0.00 0.00 -5.15 -1.82 -0.68 116.94 109.29 3jsr h PHE 50 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3jsr h PHE 50 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.62 3jsr h PHE 50 CO 0.00 0.02 0.00 -0.07 -2.00 0.00 0.00 178.31 176.26 3jsr h LEU 51 N 0.00 0.00 0.00 2.10 3.38 -1.84 -2.45 115.31 116.50 3jsr h LEU 51 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jsr h LEU 51 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3jsr h LEU 51 CO 0.00 0.00 -0.47 -0.62 0.09 0.00 0.00 178.44 177.45 3jsr n GLU 52 N -2.69 0.14 -1.70 1.13 -0.58 -0.26 -4.53 120.64 112.14 3jsr n GLU 52 Ca 0.00 0.05 -0.40 0.00 -0.42 0.00 0.00 57.16 56.39 3jsr n GLU 52 Cb 0.22 -1.59 0.02 0.00 -0.57 0.00 0.00 31.44 29.51 3jsr n GLU 52 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3jsr n ALA 53 N -1.65 1.27 -0.34 0.62 0.00 -0.92 -4.86 120.51 114.62 3jsr n ALA 53 Ca 0.05 0.22 0.12 0.00 0.00 0.00 0.00 53.44 53.83 3jsr n ALA 53 Cb 0.38 -2.27 0.33 0.00 0.00 0.00 0.00 19.45 17.89 3jsr n ALA 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3jsr h PRO 54 N 1.84 0.75 0.00 0.00 0.11 -1.90 -0.49 132.00 132.31 3jsr h PRO 54 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3jsr h PRO 54 Cb 1.30 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3jsr h PRO 54 CO 0.59 0.50 0.00 -0.85 -0.21 0.00 0.00 178.00 178.02 3jsr n GLU 55 N -4.70 0.13 -0.32 1.05 0.00 -1.26 -2.11 120.64 113.42 3jsr n GLU 55 Ca 0.22 0.38 0.10 0.00 0.00 0.00 0.00 57.16 57.87 3jsr n GLU 55 Cb 0.54 -1.75 0.28 0.00 0.00 0.00 0.00 31.44 30.51 3jsr n GLU 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3jsr n PHE 56 N -1.99 0.84 -0.25 -1.84 3.72 -0.20 -4.62 117.46 113.13 3jsr n PHE 56 Ca 0.02 -0.48 0.01 0.00 -0.05 0.00 0.00 57.45 56.95 3jsr n PHE 56 Cb 0.19 -0.01 0.14 0.00 -0.94 0.00 0.00 39.48 38.86 3jsr n PHE 56 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jsr h ALA 57 N 3.83 0.99 -0.33 4.37 0.00 -1.42 0.67 119.26 127.37 3jsr h ALA 57 Ca 0.00 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3jsr h ALA 57 Cb 0.93 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3jsr h ALA 57 CO 0.00 -0.02 -0.46 -0.44 0.00 0.00 0.00 179.25 178.33 3jsr h ASP 58 N 0.63 0.96 -0.43 0.00 3.32 -1.84 -1.22 116.42 117.84 3jsr h ASP 58 Ca 0.35 -0.47 -0.08 0.00 0.02 0.00 0.00 57.03 56.84 3jsr h ASP 58 Cb 0.35 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3jsr h ASP 58 CO -0.26 1.26 -0.03 0.40 -1.72 0.00 0.00 179.24 178.89 3jsr h ILE 59 N 0.70 1.25 -0.39 0.35 2.04 -1.76 -1.44 117.51 118.26 3jsr h ILE 59 Ca 0.04 -1.09 -0.11 0.00 1.00 0.00 0.00 64.86 64.70 3jsr h ILE 59 Cb 1.06 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3jsr h ILE 59 CO 0.11 0.38 -0.20 0.50 0.00 0.00 0.00 178.15 178.94 3jsr h LYS 60 N 0.78 0.81 -0.71 2.37 3.64 -0.78 -1.86 116.57 120.82 3jsr h LYS 60 Ca 0.14 -0.36 0.02 0.00 -1.27 0.00 0.00 60.65 59.18 3jsr h LYS 60 Cb 0.52 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 3jsr h LYS 60 CO 0.03 0.99 0.47 0.00 -2.27 0.00 0.00 179.45 178.67 3jsr h ALA 61 N 0.80 1.52 0.00 5.00 0.00 -0.91 -2.17 119.26 123.50 3jsr h ALA 61 Ca 0.08 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3jsr h ALA 61 Cb 0.75 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3jsr h ALA 61 CO 0.06 0.43 -0.41 -0.22 0.00 0.00 0.00 179.25 179.11 3jsr h LYS 62 N 0.94 0.00 -5.69 0.00 1.63 -1.09 -3.45 116.57 108.91 3jsr h LYS 62 Ca 0.27 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.48 3jsr h LYS 62 Cb -0.06 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 31.48 3jsr h LYS 62 CO -0.06 0.41 0.02 0.00 -3.45 0.00 0.00 179.45 176.36 3jsr n PRO 64 N 4.54 2.15 -4.17 0.00 -0.02 -1.26 -4.92 135.00 131.32 3jsr n PRO 64 Ca -0.03 0.76 -0.30 0.00 -2.02 0.00 0.00 63.50 61.91 3jsr n PRO 64 Cb 0.50 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.50 3jsr n PRO 64 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3jsr s GLN 65 N -1.06 2.42 0.68 -0.52 -1.52 -1.26 -3.91 119.66 114.48 3jsr s GLN 65 Ca 0.62 -0.89 -0.15 0.00 -1.95 0.00 0.00 55.36 52.99 3jsr s GLN 65 Cb -0.60 -2.47 0.01 0.00 -0.22 0.00 0.00 33.01 29.74 3jsr s GLN 65 CO 0.55 0.53 1.14 -2.14 -0.25 0.00 0.00 175.29 175.12 3jsr s PRO 66 N -2.24 2.62 0.43 2.91 0.02 -1.26 -4.97 135.00 132.51 3jsr s PRO 66 Ca 0.24 1.51 0.07 0.00 0.02 0.00 0.00 61.00 62.84 3jsr s PRO 66 Cb -0.11 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 3jsr s PRO 66 CO 0.16 -1.41 0.22 0.00 -0.33 0.00 0.00 177.00 175.64 3jsr s ALA 67 N -2.21 3.76 0.00 -1.55 0.00 -1.25 -0.73 121.76 119.79 3jsr s ALA 67 Ca 0.69 -1.91 -0.17 0.00 0.00 0.00 0.00 51.96 50.57 3jsr s ALA 67 Cb -0.23 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.45 3jsr s ALA 67 CO 0.42 -0.20 0.38 0.00 0.00 0.00 0.00 175.76 176.36 3jsr s ALA 68 N -2.62 -0.94 0.04 0.00 0.00 -0.26 0.14 121.76 118.12 3jsr s ALA 68 Ca 0.39 0.39 -0.06 0.00 0.00 0.00 0.00 51.96 52.69 3jsr s ALA 68 Cb 0.02 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 3jsr s ALA 68 CO 0.22 -0.34 0.10 0.00 0.00 0.00 0.00 175.76 175.74 3jsr s ALA 69 N -1.76 -0.10 -0.20 0.00 0.00 -0.54 -1.96 121.76 117.20 3jsr s ALA 69 Ca -0.10 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 3jsr s ALA 69 Cb -0.03 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 3jsr s ALA 69 CO 0.02 -0.31 -0.05 0.42 0.00 0.00 0.00 175.76 175.84 3jsr s ILE 70 N -2.52 3.47 0.00 0.00 1.01 -0.61 0.00 121.20 122.55 3jsr s ILE 70 Ca -0.06 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.17 3jsr s ILE 70 Cb -0.02 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 3jsr s ILE 70 CO -0.04 0.45 -0.14 -0.63 0.00 0.00 0.00 174.94 174.58 3jsr s ILE 71 N 1.13 3.10 0.01 2.92 1.01 -0.03 -1.52 121.20 127.82 3jsr s ILE 71 Ca 0.02 -0.94 -0.24 0.00 0.00 0.00 0.00 60.65 59.49 3jsr s ILE 71 Cb -0.15 -2.29 0.05 0.00 0.01 0.00 0.00 42.46 40.09 3jsr s ILE 71 CO -0.00 0.43 0.53 -0.55 0.00 0.00 0.00 174.94 175.34 3jsr s SER 72 N -1.23 -0.46 0.00 3.58 0.15 0.13 -0.02 113.70 115.86 3jsr s SER 72 Ca 0.14 0.31 0.27 0.00 0.70 0.00 0.00 55.95 57.38 3jsr s SER 72 Cb -0.11 0.48 1.08 0.00 -1.71 0.00 0.00 66.02 65.76 3jsr s SER 72 CO 0.05 -0.65 1.76 0.35 1.20 0.00 0.00 173.24 175.94 3jsr n THR 73 N 0.68 0.03 -3.45 6.45 -2.24 -0.97 -0.63 114.28 114.14 3jsr n THR 73 Ca -0.19 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 60.92 3jsr n THR 73 Cb 0.59 0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 69.14 3jsr n THR 73 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3jsr s ASN 74 N -1.94 5.97 0.22 3.42 3.84 -1.26 -4.89 114.94 120.30 3jsr s ASN 74 Ca 0.38 -1.48 -0.07 0.00 0.21 0.00 0.00 52.86 51.90 3jsr s ASN 74 Cb 0.21 -2.12 0.18 0.00 -0.55 0.00 0.00 41.25 38.97 3jsr s ASN 74 CO 0.33 -0.64 1.82 -1.28 -2.79 0.00 0.00 177.10 174.53 3jsr h SER 75 N 8.65 1.11 -0.96 -4.21 0.87 -1.96 -3.04 113.55 114.01 3jsr h SER 75 Ca -0.26 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.16 3jsr h SER 75 Cb 1.10 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 3jsr h SER 75 CO 0.86 0.93 0.60 1.56 -0.53 0.00 0.00 176.83 180.25 3jsr h GLN 76 N 1.21 1.30 -0.65 2.24 7.50 -1.98 -1.06 115.11 123.66 3jsr h GLN 76 Ca 0.29 -0.11 -0.02 0.00 0.50 0.00 0.00 58.65 59.32 3jsr h GLN 76 Cb 0.11 -0.28 -0.03 0.00 0.05 0.00 0.00 27.48 27.34 3jsr h GLN 76 CO -0.04 0.89 0.34 0.35 -1.50 0.00 0.00 178.83 178.87 3jsr h PHE 77 N 1.32 0.92 -0.41 2.96 3.57 -1.97 -0.94 116.94 122.40 3jsr h PHE 77 Ca 0.35 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 3jsr h PHE 77 Cb -0.08 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 3jsr h PHE 77 CO 0.00 0.67 0.06 0.82 -2.23 0.00 0.00 178.31 177.64 3jsr h ILE 78 N 0.90 1.24 -0.72 1.41 1.08 -1.38 -0.93 117.51 119.11 3jsr h ILE 78 Ca 0.23 -0.88 -0.03 0.00 -0.39 0.00 0.00 64.86 63.79 3jsr h ILE 78 Cb 0.08 1.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 3jsr h ILE 78 CO -0.03 0.30 0.32 0.74 -0.69 0.00 0.00 178.15 178.79 3jsr h THR 79 N 0.53 1.24 -0.75 -0.27 2.02 -0.97 -1.75 112.91 112.95 3jsr h THR 79 Ca 0.12 -0.70 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 3jsr h THR 79 Cb 0.38 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3jsr h THR 79 CO 0.01 0.29 0.26 -0.25 0.37 0.00 0.00 175.52 176.20 3jsr h TRP 80 N 1.04 1.17 -0.50 3.16 7.01 -0.86 -1.93 115.95 125.05 3jsr h TRP 80 Ca 0.25 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 3jsr h TRP 80 Cb 0.15 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 3jsr h TRP 80 CO 0.01 0.91 0.25 -0.07 -2.79 0.00 0.00 178.44 176.75 3jsr h LEU 81 N 1.10 0.62 -0.43 0.65 3.38 -0.39 0.25 115.31 120.50 3jsr h LEU 81 Ca 0.25 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3jsr h LEU 81 Cb 0.27 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3jsr h LEU 81 CO -0.01 0.52 0.15 0.50 0.09 0.00 0.00 178.44 179.69 3jsr h LYS 82 N 0.70 0.66 -0.39 1.13 3.64 -0.60 0.49 116.57 122.19 3jsr h LYS 82 Ca 0.18 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 3jsr h LYS 82 Cb 0.06 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3jsr h LYS 82 CO -0.03 0.62 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.70 3jsr h LEU 83 N 0.55 0.59 0.01 5.20 3.38 -0.70 0.15 115.31 124.50 3jsr h LEU 83 Ca 0.14 -0.13 -0.27 0.00 0.09 0.00 0.00 57.88 57.71 3jsr h LEU 83 Cb 0.23 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.84 3jsr h LEU 83 CO -0.01 0.67 -1.08 -0.09 0.09 0.00 0.00 178.44 178.02 3jsr h ARG 84 N 0.59 0.67 0.04 1.13 9.65 -0.03 -3.38 114.38 123.05 3jsr h ARG 84 Ca 0.12 -0.75 -0.35 0.00 -1.10 0.00 0.00 59.98 57.90 3jsr h ARG 84 Cb 0.39 0.22 -0.05 0.00 -1.39 0.00 0.00 29.97 29.14 3jsr h ARG 84 CO 0.01 1.32 -2.08 1.28 2.80 0.00 0.00 179.97 183.31 3jsr n LEU 85 N -3.83 1.69 0.00 3.80 4.77 0.17 -5.00 117.00 118.60 3jsr n LEU 85 Ca -0.11 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3jsr n LEU 85 Cb 0.90 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3jsr n LEU 85 CO 0.56 0.67 0.00 -0.62 -1.33 0.00 0.00 177.39 176.67 3jsr n GLU 86 N -3.17 0.00 -1.04 3.23 1.02 0.52 -4.66 120.64 116.53 3jsr n GLU 86 Ca -0.30 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.59 3jsr n GLU 86 Cb 1.06 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 32.40 3jsr n GLU 86 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3jsr n TYR 87 N 0.00 1.24 -4.05 -0.32 4.01 -1.26 -4.80 117.16 111.98 3jsr n TYR 87 Ca 0.00 -2.17 -0.12 0.00 -0.16 0.00 0.00 57.90 55.45 3jsr n TYR 87 Cb 0.00 -1.93 -0.05 0.00 -0.31 0.00 0.00 39.34 37.05 3jsr n TYR 87 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3jsr s VAL 88 N 1.98 0.00 0.15 -0.72 -7.23 -1.26 -4.80 120.40 108.52 3jsr s VAL 88 Ca 0.60 -1.53 0.07 0.00 -1.81 0.00 0.00 61.98 59.32 3jsr s VAL 88 Cb 0.21 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 3jsr s VAL 88 CO -0.03 0.00 -0.15 0.68 -0.31 0.00 0.00 175.10 175.29 3jsr s VAL 89 N -3.48 1.54 0.20 1.32 -7.23 -0.64 -4.96 120.40 107.15 3jsr s VAL 89 Ca 0.27 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.60 3jsr s VAL 89 Cb -0.00 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 3jsr s VAL 89 CO 0.15 -0.44 -0.08 0.42 -0.31 0.00 0.00 175.10 174.83 3jsr s THR 90 N -2.36 1.34 0.00 5.32 -4.23 -1.26 -0.09 115.64 114.36 3jsr s THR 90 Ca 0.14 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3jsr s THR 90 Cb -0.04 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.71 3jsr s THR 90 CO 0.05 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 3jsr n GLY 91 N -0.34 0.92 3.43 3.99 0.00 -0.75 -5.00 105.19 107.45 3jsr n GLY 91 Ca -0.08 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 3jsr n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3jsr s GLU 92 N -0.82 1.26 0.10 1.61 -1.05 -1.26 -1.11 118.70 117.42 3jsr s GLU 92 Ca 0.00 -0.95 -0.23 0.00 -0.15 0.00 0.00 54.97 53.64 3jsr s GLU 92 Cb 0.00 0.47 0.06 0.00 -0.44 0.00 0.00 34.13 34.22 3jsr s GLU 92 CO 0.00 -0.51 0.57 -0.59 0.95 0.00 0.00 175.26 175.69 3jsr s PHE 93 N -3.89 -0.50 -0.09 4.83 -0.71 -0.47 -4.99 117.98 112.16 3jsr s PHE 93 Ca 0.11 0.45 -0.09 0.00 -1.04 0.00 0.00 56.93 56.36 3jsr s PHE 93 Cb 0.01 0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 3jsr s PHE 93 CO -0.03 -0.75 0.20 -1.12 -1.34 0.00 0.00 175.22 172.18 3jsr s SER 94 N -2.32 6.48 0.17 1.98 0.01 -1.26 -0.89 113.70 117.87 3jsr s SER 94 Ca -0.02 0.58 -0.23 0.00 1.31 0.00 0.00 55.95 57.59 3jsr s SER 94 Cb -0.00 -2.11 0.06 0.00 0.21 0.00 0.00 66.02 64.18 3jsr s SER 94 CO -0.07 0.39 0.65 0.00 0.41 0.00 0.00 173.24 174.62 3jsr s ALA 95 N -1.05 -1.56 0.42 1.44 0.00 -0.79 -4.51 121.76 115.72 3jsr s ALA 95 Ca 0.17 0.40 -0.23 0.00 0.00 0.00 0.00 51.96 52.30 3jsr s ALA 95 Cb -0.13 0.84 -0.09 0.00 0.00 0.00 0.00 23.12 23.74 3jsr s ALA 95 CO 0.06 -0.81 1.04 -2.14 0.00 0.00 0.00 175.76 173.91 3jsr s PRO 96 N -3.72 4.07 0.34 0.00 0.02 -1.26 -1.20 135.00 133.26 3jsr s PRO 96 Ca 0.03 1.46 0.07 0.00 0.02 0.00 0.00 61.00 62.58 3jsr s PRO 96 Cb -0.02 -2.42 -0.03 0.00 0.02 0.00 0.00 34.50 32.06 3jsr s PRO 96 CO -0.09 -0.21 0.26 -1.13 -0.33 0.00 0.00 177.00 175.50 3jsr n SER 97 N -0.32 -0.43 -0.20 2.53 3.41 -0.04 -4.93 113.62 113.64 3jsr n SER 97 Ca 0.06 -3.16 -0.04 0.00 -0.26 0.00 0.00 58.87 55.48 3jsr n SER 97 Cb 0.50 1.56 0.15 0.00 -0.26 0.00 0.00 64.21 66.17 3jsr n SER 97 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3jsr h GLU 98 N 0.00 0.99 0.00 4.33 4.81 -1.98 -1.89 114.58 120.84 3jsr h GLU 98 Ca -0.24 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 58.76 3jsr h GLU 98 Cb 1.18 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3jsr h GLU 98 CO 0.36 0.82 -0.98 1.79 -0.73 0.00 0.00 179.01 180.27 3jsr h THR 99 N 0.97 0.17 -2.25 0.32 1.35 -1.98 -3.39 112.91 108.11 3jsr h THR 99 Ca 0.22 -1.32 -0.59 0.00 -0.55 0.00 0.00 66.41 64.18 3jsr h THR 99 Cb 0.22 1.73 -0.40 0.00 -1.73 0.00 0.00 68.15 67.97 3jsr h THR 99 CO -0.02 0.10 -0.83 -0.38 -0.25 0.00 0.00 175.52 174.14 3jsr n ILE 100 N -2.80 0.68 0.22 6.82 5.41 -1.12 -4.48 119.36 124.08 3jsr n ILE 100 Ca -0.02 -4.50 0.09 0.00 1.00 0.00 0.00 62.75 59.32 3jsr n ILE 100 Cb 0.63 -2.00 0.45 0.00 -0.71 0.00 0.00 39.64 38.01 3jsr n ILE 100 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3jsr h PRO 101 N 4.43 0.00 -2.64 0.38 0.13 -1.55 -0.06 132.00 132.69 3jsr h PRO 101 Ca 0.15 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.68 3jsr h PRO 101 Cb 0.79 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.52 3jsr h PRO 101 CO 0.62 0.26 -0.84 -0.80 -0.23 0.00 0.00 178.00 177.01 3jsr s ASN 102 N -6.27 2.68 0.51 1.44 -0.87 -1.26 -4.72 114.94 106.45 3jsr s ASN 102 Ca 0.00 -3.05 0.30 0.00 -1.57 0.00 0.00 52.86 48.54 3jsr s ASN 102 Cb 0.11 -0.78 1.41 0.00 -0.02 0.00 0.00 41.25 41.97 3jsr s ASN 102 CO 0.65 -0.19 1.85 1.55 -2.57 0.00 0.00 177.10 178.40 3jsr h PRO 103 N 5.94 0.09 -0.48 -0.60 0.13 -1.97 -1.42 132.00 133.68 3jsr h PRO 103 Ca 0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3jsr h PRO 103 Cb 0.89 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3jsr h PRO 103 CO 0.45 0.06 0.00 1.28 -0.23 0.00 0.00 178.00 179.56 3jsr n LEU 104 N -4.32 3.42 -4.77 1.56 4.77 -1.26 -4.64 117.00 111.76 3jsr n LEU 104 Ca 0.21 -1.77 -0.39 0.00 -0.03 0.00 0.00 56.01 54.03 3jsr n LEU 104 Cb 0.98 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.74 3jsr n LEU 104 CO 0.37 0.81 0.88 0.00 -1.33 0.00 0.00 177.39 178.12 3jsr s ALA 105 N -1.15 3.22 -0.09 -1.18 0.00 -0.54 -4.94 121.76 117.09 3jsr s ALA 105 Ca 0.37 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.40 3jsr s ALA 105 Cb 0.20 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 3jsr s ALA 105 CO 0.27 -0.60 -0.09 0.45 0.00 0.00 0.00 175.76 175.79 3jsr s SER 106 N -0.96 4.47 -0.94 0.00 0.15 -1.26 -1.07 113.70 114.09 3jsr s SER 106 Ca 0.56 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.10 3jsr s SER 106 Cb -0.34 -1.26 0.32 0.00 -1.71 0.00 0.00 66.02 63.04 3jsr s SER 106 CO 0.43 0.31 1.64 0.18 1.20 0.00 0.00 173.24 176.99 3jsr n LEU 107 N 2.60 6.76 0.00 3.45 4.77 0.12 -4.86 117.00 129.84 3jsr n LEU 107 Ca -0.18 -5.45 0.00 0.00 -0.03 0.00 0.00 56.01 50.36 3jsr n LEU 107 Cb 0.53 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 3jsr n LEU 107 CO 0.28 2.10 0.00 0.00 -1.33 0.00 0.00 177.39 178.44