#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mjg s ILE 7 N 0.00 3.47 -0.68 12.58 1.01 -1.26 -5.05 121.20 131.26 3mjg s ILE 7 Ca 0.00 -0.55 -0.27 0.00 0.00 0.00 0.00 60.65 59.83 3mjg s ILE 7 Cb 0.00 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 40.05 3mjg s ILE 7 CO 0.00 0.57 1.58 0.00 0.00 0.00 0.00 174.94 177.08 3mjg s ALA 8 N -0.39 2.45 0.86 9.38 0.00 -1.26 -4.97 121.76 127.83 3mjg s ALA 8 Ca 0.05 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 3mjg s ALA 8 Cb -0.12 -4.29 0.11 0.00 0.00 0.00 0.00 23.12 18.81 3mjg s ALA 8 CO 0.02 -3.62 1.09 -1.21 0.00 0.00 0.00 175.76 172.05 3mjg s GLU 9 N 6.38 1.54 0.34 0.00 8.01 -1.26 -4.96 118.70 128.75 3mjg s GLU 9 Ca 0.51 0.86 -0.28 0.00 0.01 0.00 0.00 54.97 56.07 3mjg s GLU 9 Cb -0.10 -1.84 -0.10 0.00 -4.31 0.00 0.00 34.13 27.78 3mjg s GLU 9 CO 0.17 -2.05 1.25 -2.14 0.01 0.00 0.00 175.26 172.50 3mjg s PRO 10 N -4.96 4.34 0.33 0.39 0.02 -1.26 -4.96 135.00 128.90 3mjg s PRO 10 Ca 0.63 2.08 -0.28 0.00 0.02 0.00 0.00 61.00 63.45 3mjg s PRO 10 Cb -0.17 -3.01 -0.10 0.00 0.02 0.00 0.00 34.50 31.24 3mjg s PRO 10 CO 0.56 -0.15 1.21 0.00 -0.33 0.00 0.00 177.00 178.29 3mjg s ALA 11 N -1.19 3.39 -0.15 -1.55 0.00 -1.26 -5.03 121.76 115.98 3mjg s ALA 11 Ca 0.50 1.08 -0.02 0.00 0.00 0.00 0.00 51.96 53.52 3mjg s ALA 11 Cb -0.37 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 3mjg s ALA 11 CO 0.48 -0.47 -0.08 -1.64 0.00 0.00 0.00 175.76 174.06 3mjg s MET 12 N -1.79 3.53 0.47 0.00 -1.94 -1.26 -5.09 119.30 113.22 3mjg s MET 12 Ca 0.49 -0.60 -0.24 0.00 -1.71 0.00 0.00 55.69 53.64 3mjg s MET 12 Cb -0.35 -2.80 -0.08 0.00 2.01 0.00 0.00 34.83 33.61 3mjg s MET 12 CO 0.46 0.20 1.26 1.51 -0.01 0.00 0.00 175.02 178.45 3mjg n ILE 13 N 3.60 2.96 -2.80 2.53 3.06 -1.26 -4.90 119.36 122.55 3mjg n ILE 13 Ca -0.18 -0.50 -0.43 0.00 -2.50 0.00 0.00 62.75 59.14 3mjg n ILE 13 Cb 0.52 -1.55 -0.04 0.00 0.54 0.00 0.00 39.64 39.12 3mjg n ILE 13 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3mjg s ALA 14 N -1.25 3.17 0.69 1.51 0.00 -1.26 -5.01 121.76 119.61 3mjg s ALA 14 Ca 0.65 -1.01 -0.17 0.00 0.00 0.00 0.00 51.96 51.43 3mjg s ALA 14 Cb -0.48 -3.74 0.02 0.00 0.00 0.00 0.00 23.12 18.92 3mjg s ALA 14 CO 0.55 -2.29 1.26 -1.21 0.00 0.00 0.00 175.76 174.06 3mjg s GLU 15 N 4.00 2.30 -0.30 0.00 0.41 -1.26 -1.66 118.70 122.19 3mjg s GLU 15 Ca 0.35 1.94 -0.29 0.00 -0.41 0.00 0.00 54.97 56.56 3mjg s GLU 15 Cb -0.11 -1.83 -0.00 0.00 -1.78 0.00 0.00 34.13 30.41 3mjg s GLU 15 CO 0.23 -1.76 1.41 0.00 -0.49 0.00 0.00 175.26 174.65 3mjg s LYS 17 N 4.44 1.28 0.21 0.00 -2.85 -0.67 -4.80 119.74 117.36 3mjg s LYS 17 Ca 0.61 -0.80 -0.23 0.00 -1.00 0.00 0.00 55.97 54.55 3mjg s LYS 17 Cb -0.18 0.38 -0.08 0.00 -2.06 0.00 0.00 37.83 35.88 3mjg s LYS 17 CO 0.26 -0.60 0.78 0.95 0.10 0.00 0.00 175.35 176.85 3mjg s THR 18 N -2.48 4.42 0.02 3.79 -4.23 -1.26 -1.29 115.64 114.61 3mjg s THR 18 Ca 0.19 1.57 -0.03 0.00 -1.18 0.00 0.00 61.69 62.23 3mjg s THR 18 Cb -0.02 -4.01 -0.02 0.00 1.34 0.00 0.00 72.50 69.79 3mjg s THR 18 CO 0.04 0.35 0.04 -0.13 -0.54 0.00 0.00 174.62 174.38 3mjg s ARG 19 N -1.60 0.46 -0.01 3.99 0.52 -0.48 -4.89 118.95 116.93 3mjg s ARG 19 Ca 0.41 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.64 3mjg s ARG 19 Cb -0.20 0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.41 3mjg s ARG 19 CO 0.24 -0.10 1.17 0.99 0.02 0.00 0.00 175.30 177.62 3mjg s THR 20 N -2.05 4.27 0.41 0.02 2.01 -1.26 -1.36 115.64 117.69 3mjg s THR 20 Ca -0.10 1.61 0.03 0.00 0.31 0.00 0.00 61.69 63.54 3mjg s THR 20 Cb -0.05 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 3mjg s THR 20 CO -0.02 0.05 0.08 -1.61 -0.69 0.00 0.00 174.62 172.43 3mjg s GLU 21 N 1.70 1.93 -0.16 4.92 2.02 -0.23 -4.97 118.70 123.92 3mjg s GLU 21 Ca 0.56 -2.16 -0.02 0.00 0.02 0.00 0.00 54.97 53.36 3mjg s GLU 21 Cb -0.26 -0.93 -0.02 0.00 0.10 0.00 0.00 34.13 33.03 3mjg s GLU 21 CO 0.25 -0.36 -0.07 0.08 0.02 0.00 0.00 175.26 175.17 3mjg s VAL 22 N -3.13 3.48 -0.14 2.63 1.01 -1.26 -1.50 120.40 121.49 3mjg s VAL 22 Ca 0.23 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 3mjg s VAL 22 Cb 0.04 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3mjg s VAL 22 CO 0.12 0.49 -0.08 0.12 0.00 0.00 0.00 175.10 175.75 3mjg s PHE 23 N 0.56 2.92 -0.20 5.22 2.19 0.11 -4.95 117.98 123.82 3mjg s PHE 23 Ca -0.05 -0.47 -0.22 0.00 0.33 0.00 0.00 56.93 56.52 3mjg s PHE 23 Cb -0.15 -1.90 -0.02 0.00 -1.31 0.00 0.00 43.02 39.64 3mjg s PHE 23 CO 0.03 -0.12 0.67 -2.00 1.83 0.00 0.00 175.22 175.62 3mjg s GLU 24 N 0.36 4.22 -0.87 10.12 2.12 -1.26 -0.72 118.70 132.66 3mjg s GLU 24 Ca -0.07 0.69 -0.19 0.00 0.36 0.00 0.00 54.97 55.75 3mjg s GLU 24 Cb -0.15 -3.59 0.13 0.00 0.26 0.00 0.00 34.13 30.78 3mjg s GLU 24 CO 0.04 -0.28 1.07 0.42 -0.54 0.00 0.00 175.26 175.98 3mjg s ILE 25 N 2.03 4.71 0.57 -3.70 1.01 -0.30 -4.98 121.20 120.54 3mjg s ILE 25 Ca 0.30 -1.43 -0.14 0.00 0.00 0.00 0.00 60.65 59.38 3mjg s ILE 25 Cb -0.16 -4.74 -0.05 0.00 0.01 0.00 0.00 42.46 37.51 3mjg s ILE 25 CO 0.10 -1.46 1.01 -0.94 0.00 0.00 0.00 174.94 173.65 3mjg s SER 26 N 3.59 6.31 0.39 3.58 1.04 -1.26 -4.80 113.70 122.55 3mjg s SER 26 Ca 0.30 1.55 0.09 0.00 0.48 0.00 0.00 55.95 58.36 3mjg s SER 26 Cb -0.07 -2.50 0.80 0.00 0.10 0.00 0.00 66.02 64.35 3mjg s SER 26 CO -0.06 -0.81 1.95 0.03 0.98 0.00 0.00 173.24 175.33 3mjg h ARG 27 N 0.33 0.33 -0.99 4.02 3.08 -1.95 -2.49 114.38 116.72 3mjg h ARG 27 Ca -0.46 -0.06 0.23 0.00 0.07 0.00 0.00 59.98 59.77 3mjg h ARG 27 Cb 1.19 -0.05 -0.12 0.00 0.08 0.00 0.00 29.97 31.07 3mjg h ARG 27 CO 0.61 0.38 0.57 -0.09 -1.07 0.00 0.00 179.97 180.37 3mjg h ARG 28 N 0.32 0.57 -0.00 0.04 2.43 -1.92 0.46 114.38 116.28 3mjg h ARG 28 Ca 0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3mjg h ARG 28 Cb 0.25 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3mjg h ARG 28 CO 0.01 0.38 -0.00 1.47 -1.51 0.00 0.00 179.97 180.31 3mjg n LEU 29 N -4.89 0.00 -0.08 3.80 -0.00 -0.94 -3.84 117.00 111.06 3mjg n LEU 29 Ca 0.26 0.15 -0.11 0.00 -0.00 0.00 0.00 56.01 56.31 3mjg n LEU 29 Cb 0.71 -0.15 -0.08 0.00 -0.00 0.00 0.00 43.42 43.90 3mjg n LEU 29 CO 0.17 0.00 -1.03 -0.38 -0.00 0.00 0.00 177.39 176.15 3mjg n ILE 30 N -1.15 0.95 -3.15 1.47 5.41 0.15 -4.99 119.36 118.05 3mjg n ILE 30 Ca 0.19 -0.39 0.05 0.00 1.00 0.00 0.00 62.75 63.60 3mjg n ILE 30 Cb 0.18 -1.03 -0.01 0.00 -0.71 0.00 0.00 39.64 38.06 3mjg n ILE 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3mjg s ASP 31 N -5.48 -0.84 0.00 4.38 3.68 -0.24 -5.03 116.67 113.14 3mjg s ASP 31 Ca -0.20 0.52 0.27 0.00 2.13 0.00 0.00 52.55 55.26 3mjg s ASP 31 Cb 0.06 1.70 0.73 0.00 -1.45 0.00 0.00 42.92 43.96 3mjg s ASP 31 CO 0.41 -0.16 1.57 -1.14 0.13 0.00 0.00 175.17 175.98 3mjg n ARG 32 N 5.45 1.91 0.12 4.34 0.63 -1.25 -4.34 116.66 123.52 3mjg n ARG 32 Ca -0.04 -1.32 -0.20 0.00 -0.92 0.00 0.00 57.85 55.36 3mjg n ARG 32 Cb 0.53 -1.47 -0.15 0.00 0.45 0.00 0.00 32.46 31.81 3mjg n ARG 32 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 3mjg h THR 33 N 3.22 1.35 -3.83 5.15 1.35 -1.95 -3.49 112.91 114.71 3mjg h THR 33 Ca 0.00 -2.86 -0.30 0.00 -0.55 0.00 0.00 66.41 62.70 3mjg h THR 33 Cb 0.68 2.97 -0.08 0.00 -1.73 0.00 0.00 68.15 70.00 3mjg h THR 33 CO 0.00 0.85 -0.28 -3.20 -0.25 0.00 0.00 175.52 172.64 3mjg n ASN 34 N -3.61 -0.56 -0.59 5.36 2.85 -1.26 -5.08 115.26 112.36 3mjg n ASN 34 Ca -0.14 -2.45 0.06 0.00 -0.11 0.00 0.00 54.58 51.94 3mjg n ASN 34 Cb 1.07 1.24 0.11 0.00 1.24 0.00 0.00 39.78 43.43 3mjg n ASN 34 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3mjg n ALA 35 N -1.45 2.64 -1.12 5.20 0.00 -1.26 -4.89 120.51 119.63 3mjg n ALA 35 Ca -0.08 -2.44 -0.17 0.00 0.00 0.00 0.00 53.44 50.75 3mjg n ALA 35 Cb 0.41 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 3mjg n ALA 35 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3mjg n ASN 36 N -0.67 5.91 -3.63 0.00 6.94 -1.26 -4.88 115.26 117.67 3mjg n ASN 36 Ca 0.12 -2.84 0.00 0.00 -0.02 0.00 0.00 54.58 51.84 3mjg n ASN 36 Cb 0.77 -1.26 0.01 0.00 -2.36 0.00 0.00 39.78 36.93 3mjg n ASN 36 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3mjg s PHE 37 N -0.58 0.01 0.18 -2.53 -0.71 -1.26 -4.32 117.98 108.77 3mjg s PHE 37 Ca 0.52 -0.22 0.01 0.00 -1.04 0.00 0.00 56.93 56.20 3mjg s PHE 37 Cb 0.30 0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 42.67 3mjg s PHE 37 CO -0.09 -0.51 0.02 -0.51 -1.34 0.00 0.00 175.22 172.79 3mjg s LEU 38 N -3.42 2.02 -0.00 -1.99 1.43 0.23 -4.93 118.68 112.01 3mjg s LEU 38 Ca 0.22 -1.20 0.05 0.00 -1.03 0.00 0.00 54.13 52.16 3mjg s LEU 38 Cb 0.00 -0.02 -0.01 0.00 0.03 0.00 0.00 46.19 46.19 3mjg s LEU 38 CO 0.01 -0.60 -0.15 0.68 0.23 0.00 0.00 176.35 176.51 3mjg s VAL 39 N -3.70 1.20 -0.01 -1.59 -7.23 -1.26 0.39 120.40 108.20 3mjg s VAL 39 Ca 0.26 -0.70 0.02 0.00 -1.81 0.00 0.00 61.98 59.75 3mjg s VAL 39 Cb 0.06 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 36.00 3mjg s VAL 39 CO 0.05 0.30 -0.06 0.86 -0.31 0.00 0.00 175.10 175.95 3mjg s TRP 40 N -0.41 0.56 0.71 2.82 -0.11 0.19 -4.11 118.94 118.59 3mjg s TRP 40 Ca 0.05 -0.11 -0.11 0.00 1.22 0.00 0.00 56.10 57.15 3mjg s TRP 40 Cb -0.06 -0.40 0.02 0.00 -1.50 0.00 0.00 33.47 31.53 3mjg s TRP 40 CO -0.00 -0.04 1.07 -1.25 -4.62 0.00 0.00 176.95 172.11 3mjg s PRO 41 N 0.06 2.83 0.41 5.86 0.04 -1.26 -0.10 135.00 142.84 3mjg s PRO 41 Ca -0.00 0.73 0.25 0.00 0.04 0.00 0.00 61.00 62.02 3mjg s PRO 41 Cb -0.05 -2.00 0.58 0.00 0.04 0.00 0.00 34.50 33.08 3mjg s PRO 41 CO -0.00 -1.12 1.69 -1.00 0.04 0.00 0.00 177.00 176.61 3mjg h PRO 42 N -0.72 0.00 -3.48 0.56 0.13 -1.89 -3.44 132.00 123.15 3mjg h PRO 42 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 3mjg h PRO 42 Cb 1.23 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.23 3mjg h PRO 42 CO 0.60 0.00 -0.15 0.00 -0.23 0.00 0.00 178.00 178.22 3mjg s VAL 44 N -3.77 0.11 0.40 0.00 -7.23 0.10 -4.92 120.40 105.08 3mjg s VAL 44 Ca 0.03 -1.47 -0.16 0.00 -1.81 0.00 0.00 61.98 58.57 3mjg s VAL 44 Cb 0.02 -1.69 -0.09 0.00 0.56 0.00 0.00 36.38 35.18 3mjg s VAL 44 CO -0.11 -0.51 0.84 -1.61 -0.31 0.00 0.00 175.10 173.39 3mjg s GLU 45 N -3.95 4.02 0.08 4.82 2.02 -1.26 0.04 118.70 124.47 3mjg s GLU 45 Ca 0.14 0.80 -0.09 0.00 0.02 0.00 0.00 54.97 55.84 3mjg s GLU 45 Cb 0.05 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.97 3mjg s GLU 45 CO -0.04 0.01 0.21 0.14 0.02 0.00 0.00 175.26 175.59 3mjg s VAL 46 N -2.20 0.13 -0.13 2.63 -7.23 -0.56 -4.84 120.40 108.19 3mjg s VAL 46 Ca 0.57 -1.07 -0.11 0.00 -1.81 0.00 0.00 61.98 59.56 3mjg s VAL 46 Cb -0.10 -1.22 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 3mjg s VAL 46 CO 0.21 -0.59 0.23 -1.10 -0.31 0.00 0.00 175.10 173.54 3mjg s GLN 47 N -3.52 3.95 -0.09 4.82 -1.52 -1.26 -1.07 119.66 120.98 3mjg s GLN 47 Ca 0.02 0.01 -0.08 0.00 -1.95 0.00 0.00 55.36 53.36 3mjg s GLN 47 Cb 0.03 -3.32 0.02 0.00 -0.22 0.00 0.00 33.01 29.52 3mjg s GLN 47 CO -0.09 0.48 0.23 1.03 -0.25 0.00 0.00 175.29 176.69 3mjg s ARG 48 N -0.23 0.27 0.42 2.91 1.81 -0.46 -1.26 118.95 122.41 3mjg s ARG 48 Ca 0.15 0.33 -0.26 0.00 -1.72 0.00 0.00 55.73 54.24 3mjg s ARG 48 Cb -0.13 0.12 -0.09 0.00 -0.45 0.00 0.00 34.95 34.40 3mjg s ARG 48 CO 0.04 -0.04 1.36 0.00 -0.68 0.00 0.00 175.30 175.98 3mjg s SER 50 N -0.61 -0.20 0.00 0.00 1.04 -0.41 -4.89 113.70 108.63 3mjg s SER 50 Ca 0.58 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3mjg s SER 50 Cb -0.41 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3mjg s SER 50 CO 0.53 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 174.01 3mjg n GLY 51 N -0.48 0.67 3.49 7.32 0.00 -1.26 -1.67 105.19 113.27 3mjg n GLY 51 Ca -0.05 -2.23 -0.23 0.00 0.00 0.00 0.00 46.02 43.51 3mjg n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mjg h ASN 54 N 0.89 0.13 -3.89 0.00 4.21 -2.02 -3.47 115.58 111.42 3mjg h ASN 54 Ca -0.39 -0.05 -0.32 0.00 1.21 0.00 0.00 56.30 56.75 3mjg h ASN 54 Cb 1.31 -0.03 -0.07 0.00 -1.12 0.00 0.00 38.32 38.41 3mjg h ASN 54 CO 0.62 0.14 -0.26 0.59 -1.29 0.00 0.00 177.43 177.23 3mjg n ASN 55 N -4.99 1.61 -0.21 5.81 3.02 -1.26 -5.03 115.26 114.21 3mjg n ASN 55 Ca -0.05 -2.20 0.12 0.00 -0.03 0.00 0.00 54.58 52.42 3mjg n ASN 55 Cb 0.05 0.45 0.25 0.00 -0.61 0.00 0.00 39.78 39.93 3mjg n ASN 55 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3mjg n ARG 56 N -0.56 0.65 -0.30 3.52 5.12 -1.26 -3.50 116.66 120.33 3mjg n ARG 56 Ca -0.06 -0.43 0.07 0.00 -1.93 0.00 0.00 57.85 55.51 3mjg n ARG 56 Cb 0.34 -1.49 0.22 0.00 -1.16 0.00 0.00 32.46 30.37 3mjg n ARG 56 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3mjg n ASN 57 N -0.80 2.82 -4.02 0.55 2.04 -1.26 -4.80 115.26 109.79 3mjg n ASN 57 Ca 0.10 -2.09 -0.10 0.00 -0.44 0.00 0.00 54.58 52.04 3mjg n ASN 57 Cb 0.36 -0.37 -0.11 0.00 -2.53 0.00 0.00 39.78 37.13 3mjg n ASN 57 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 3mjg s VAL 58 N -1.47 0.28 -0.07 3.53 -7.23 -1.23 -1.19 120.40 113.02 3mjg s VAL 58 Ca 0.33 -1.08 -0.06 0.00 -1.81 0.00 0.00 61.98 59.36 3mjg s VAL 58 Cb 0.18 -0.54 0.02 0.00 0.56 0.00 0.00 36.38 36.61 3mjg s VAL 58 CO 0.20 -0.52 0.18 -1.58 -0.31 0.00 0.00 175.10 173.07 3mjg s GLN 59 N -1.81 0.20 -0.32 4.82 0.74 -0.17 -4.72 119.66 118.40 3mjg s GLN 59 Ca -0.11 0.26 -0.29 0.00 0.05 0.00 0.00 55.36 55.27 3mjg s GLN 59 Cb -0.08 0.08 -0.00 0.00 1.10 0.00 0.00 33.01 34.11 3mjg s GLN 59 CO -0.02 -0.04 1.38 0.00 -0.55 0.00 0.00 175.29 176.07 3mjg s ARG 61 N 4.46 0.57 0.30 0.00 0.52 -0.83 -4.90 118.95 119.07 3mjg s ARG 61 Ca 0.60 -0.76 -0.29 0.00 -0.52 0.00 0.00 55.73 54.76 3mjg s ARG 61 Cb -0.17 -0.38 -0.10 0.00 0.52 0.00 0.00 34.95 34.82 3mjg s ARG 61 CO 0.27 0.07 1.39 -1.25 0.02 0.00 0.00 175.30 175.80 3mjg s PRO 62 N -1.53 4.28 0.09 3.54 0.04 -1.26 -2.09 135.00 138.07 3mjg s PRO 62 Ca -0.08 2.30 0.22 0.00 0.04 0.00 0.00 61.00 63.48 3mjg s PRO 62 Cb -0.10 -3.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.27 3mjg s PRO 62 CO 0.01 -0.34 0.86 2.41 0.04 0.00 0.00 177.00 179.97 3mjg n THR 63 N 1.52 0.30 -3.61 1.26 -1.04 0.12 -4.88 114.28 107.95 3mjg n THR 63 Ca 0.03 -0.45 -0.01 0.00 -2.04 0.00 0.00 64.05 61.59 3mjg n THR 63 Cb 0.41 -0.07 -0.04 0.00 -1.82 0.00 0.00 70.33 68.80 3mjg n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mjg s GLN 64 N -3.37 0.54 0.23 -2.82 -2.07 -1.21 -4.95 119.66 106.02 3mjg s GLN 64 Ca -0.02 1.33 0.10 0.00 -1.82 0.00 0.00 55.36 54.95 3mjg s GLN 64 Cb 0.12 0.76 -0.04 0.00 -1.09 0.00 0.00 33.01 32.76 3mjg s GLN 64 CO 0.83 -0.18 -0.08 0.14 -1.32 0.00 0.00 175.29 174.68 3mjg s VAL 65 N 2.74 3.14 -0.04 3.63 -7.23 -1.26 -0.26 120.40 121.11 3mjg s VAL 65 Ca -0.06 -1.88 0.01 0.00 -1.81 0.00 0.00 61.98 58.24 3mjg s VAL 65 Cb -0.11 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.24 3mjg s VAL 65 CO -0.19 -0.25 -0.04 -1.58 -0.31 0.00 0.00 175.10 172.73 3mjg s GLN 66 N -3.24 0.76 -0.16 4.82 0.74 -0.41 -4.94 119.66 117.24 3mjg s GLN 66 Ca 0.28 -0.09 -0.06 0.00 0.05 0.00 0.00 55.36 55.53 3mjg s GLN 66 Cb -0.07 -0.78 -0.04 0.00 1.10 0.00 0.00 33.01 33.22 3mjg s GLN 66 CO 0.17 -0.08 0.05 -0.51 -0.55 0.00 0.00 175.29 174.37 3mjg s LEU 67 N 0.87 3.79 0.01 3.68 1.43 -1.26 -1.28 118.68 125.92 3mjg s LEU 67 Ca -0.11 0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3mjg s LEU 67 Cb -0.14 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 3mjg s LEU 67 CO 0.00 0.22 -0.01 -0.60 0.23 0.00 0.00 176.35 176.19 3mjg s ARG 68 N 0.06 0.22 0.13 1.70 3.52 -0.29 -4.98 118.95 119.32 3mjg s ARG 68 Ca 0.05 -0.42 -0.19 0.00 -0.13 0.00 0.00 55.73 55.04 3mjg s ARG 68 Cb -0.12 0.08 -0.07 0.00 -1.56 0.00 0.00 34.95 33.28 3mjg s ARG 68 CO 0.01 -0.04 0.63 -1.25 -0.81 0.00 0.00 175.30 173.84 3mjg s PRO 69 N -1.02 4.22 0.04 5.12 0.04 -1.26 -0.89 135.00 141.25 3mjg s PRO 69 Ca -0.11 0.77 0.02 0.00 0.04 0.00 0.00 61.00 61.72 3mjg s PRO 69 Cb -0.07 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 3mjg s PRO 69 CO -0.01 0.54 -0.08 0.14 0.04 0.00 0.00 177.00 177.64 3mjg s VAL 70 N -1.28 0.54 -0.18 -0.36 -7.23 -0.08 -4.93 120.40 106.87 3mjg s VAL 70 Ca 0.35 -1.09 -0.14 0.00 -1.81 0.00 0.00 61.98 59.28 3mjg s VAL 70 Cb -0.18 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 3mjg s VAL 70 CO 0.20 -0.39 0.33 -1.58 -0.31 0.00 0.00 175.10 173.35 3mjg s GLN 71 N -1.63 4.22 0.40 4.82 0.74 -1.26 -0.46 119.66 126.49 3mjg s GLN 71 Ca -0.10 0.12 0.07 0.00 0.05 0.00 0.00 55.36 55.51 3mjg s GLN 71 Cb -0.10 -3.47 -0.08 0.00 1.10 0.00 0.00 33.01 30.46 3mjg s GLN 71 CO 0.00 0.12 -0.01 0.14 -0.55 0.00 0.00 175.29 175.00 3mjg s VAL 72 N 0.81 2.04 -0.19 1.34 -7.23 0.15 -4.94 120.40 112.38 3mjg s VAL 72 Ca 0.17 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.26 3mjg s VAL 72 Cb -0.14 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.85 3mjg s VAL 72 CO 0.06 -0.04 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.66 3mjg s ARG 73 N -3.69 3.59 -0.25 4.82 1.81 0.85 -1.47 118.95 124.62 3mjg s ARG 73 Ca 0.35 -0.54 -0.14 0.00 -1.72 0.00 0.00 55.73 53.68 3mjg s ARG 73 Cb 0.08 -3.03 -0.04 0.00 -0.45 0.00 0.00 34.95 31.52 3mjg s ARG 73 CO 0.18 0.04 0.32 0.21 -0.68 0.00 0.00 175.30 175.37 3mjg s LYS 74 N 0.91 4.05 -0.35 3.54 2.20 0.23 -0.63 119.74 129.69 3mjg s LYS 74 Ca 0.01 -0.01 -0.05 0.00 -0.36 0.00 0.00 55.97 55.55 3mjg s LYS 74 Cb -0.14 -3.61 0.06 0.00 -1.51 0.00 0.00 37.83 32.62 3mjg s LYS 74 CO 0.02 -0.16 0.11 0.42 -0.36 0.00 0.00 175.35 175.38 3mjg s ILE 75 N 1.72 3.56 -0.11 5.43 1.01 0.16 -1.46 121.20 131.52 3mjg s ILE 75 Ca 0.14 -1.37 -0.05 0.00 0.00 0.00 0.00 60.65 59.36 3mjg s ILE 75 Cb -0.15 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3mjg s ILE 75 CO 0.09 -0.28 0.09 -1.61 0.00 0.00 0.00 174.94 173.22 3mjg s GLU 76 N 1.33 3.30 0.13 2.79 2.02 -0.35 -0.60 118.70 127.32 3mjg s GLU 76 Ca -0.00 -0.24 0.03 0.00 0.02 0.00 0.00 54.97 54.77 3mjg s GLU 76 Cb -0.21 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 3mjg s GLU 76 CO 0.01 0.72 0.20 0.96 0.02 0.00 0.00 175.26 177.17 3mjg s ILE 77 N -0.90 4.96 -0.34 -1.63 -5.25 -1.26 0.35 121.20 117.13 3mjg s ILE 77 Ca 0.14 -0.79 0.05 0.00 -0.99 0.00 0.00 60.65 59.06 3mjg s ILE 77 Cb -0.12 -3.51 0.19 0.00 2.95 0.00 0.00 42.46 41.98 3mjg s ILE 77 CO 0.03 -0.04 0.65 0.54 -1.79 0.00 0.00 174.94 174.33 3mjg s VAL 78 N -1.67 -0.93 -0.57 8.37 0.11 0.11 -4.84 120.40 120.97 3mjg s VAL 78 Ca 0.33 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.38 3mjg s VAL 78 Cb -0.11 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 3mjg s VAL 78 CO 0.26 0.00 0.55 -1.14 -3.33 0.00 0.00 175.10 171.43 3mjg n ARG 79 N 4.97 -1.04 0.00 1.54 0.63 -1.26 -3.17 116.66 118.33 3mjg n ARG 79 Ca 0.08 1.29 0.00 0.00 -0.92 0.00 0.00 57.85 58.29 3mjg n ARG 79 Cb 0.56 -4.83 0.00 0.00 0.45 0.00 0.00 32.46 28.64 3mjg n ARG 79 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3mjg n LYS 80 N -1.59 0.00 -3.96 -0.14 0.00 -1.26 -4.86 118.16 106.35 3mjg n LYS 80 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 57.95 3mjg n LYS 80 Cb 0.50 -2.67 -0.07 0.00 0.00 0.00 0.00 35.03 32.78 3mjg n LYS 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 3mjg s LYS 81 N 0.00 3.54 0.27 1.64 -2.85 -1.19 -5.10 119.74 116.05 3mjg s LYS 81 Ca 0.00 -0.22 0.04 0.00 -1.00 0.00 0.00 55.97 54.79 3mjg s LYS 81 Cb 0.00 -3.16 -0.03 0.00 -2.06 0.00 0.00 37.83 32.58 3mjg s LYS 81 CO 0.00 0.63 0.41 -1.25 0.10 0.00 0.00 175.35 175.24 3mjg s PRO 82 N -0.62 3.43 -0.27 1.78 0.04 -1.26 0.06 135.00 138.16 3mjg s PRO 82 Ca 0.12 -0.67 -0.05 0.00 0.04 0.00 0.00 61.00 60.44 3mjg s PRO 82 Cb -0.12 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.60 3mjg s PRO 82 CO 0.02 0.34 0.03 0.42 0.04 0.00 0.00 177.00 177.85 3mjg s ILE 83 N -2.07 3.61 0.10 0.56 1.01 1.09 -4.86 121.20 120.64 3mjg s ILE 83 Ca 0.36 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 60.06 3mjg s ILE 83 Cb -0.09 -2.83 -0.07 0.00 0.01 0.00 0.00 42.46 39.48 3mjg s ILE 83 CO 0.31 0.16 0.63 -0.36 0.00 0.00 0.00 174.94 175.68 3mjg s PHE 84 N 1.45 3.83 -0.00 3.97 0.40 -1.26 -1.21 117.98 125.15 3mjg s PHE 84 Ca 0.02 1.37 -0.09 0.00 -0.60 0.00 0.00 56.93 57.63 3mjg s PHE 84 Cb -0.17 -2.57 0.01 0.00 0.51 0.00 0.00 43.02 40.80 3mjg s PHE 84 CO -0.00 0.56 0.18 0.15 0.70 0.00 0.00 175.22 176.81 3mjg s LYS 85 N -1.16 0.53 0.13 0.44 1.02 -0.53 -5.00 119.74 115.17 3mjg s LYS 85 Ca 0.31 -0.35 -0.07 0.00 0.02 0.00 0.00 55.97 55.89 3mjg s LYS 85 Cb -0.20 0.23 -0.06 0.00 -0.52 0.00 0.00 37.83 37.27 3mjg s LYS 85 CO 0.21 -0.13 0.41 0.15 -0.92 0.00 0.00 175.35 175.06 3mjg s LYS 86 N -1.37 3.69 -0.12 1.68 1.02 -1.26 -0.60 119.74 122.79 3mjg s LYS 86 Ca -0.14 0.06 -0.17 0.00 0.02 0.00 0.00 55.97 55.73 3mjg s LYS 86 Cb -0.07 -2.88 0.04 0.00 -0.52 0.00 0.00 37.83 34.40 3mjg s LYS 86 CO 0.02 0.48 0.44 0.00 -0.92 0.00 0.00 175.35 175.38 3mjg s ALA 87 N -1.58 -1.10 -0.09 5.17 0.00 -0.54 -4.81 121.76 118.80 3mjg s ALA 87 Ca 0.39 1.04 -0.05 0.00 0.00 0.00 0.00 51.96 53.34 3mjg s ALA 87 Cb -0.13 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 3mjg s ALA 87 CO 0.22 -0.24 0.11 0.99 0.00 0.00 0.00 175.76 176.83 3mjg s THR 88 N -0.30 5.16 0.02 0.00 2.01 -1.26 0.31 115.64 121.58 3mjg s THR 88 Ca -0.05 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.03 3mjg s THR 88 Cb -0.03 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.20 3mjg s THR 88 CO 0.03 0.57 -0.15 0.54 -0.69 0.00 0.00 174.62 174.91 3mjg s VAL 89 N -1.03 1.21 -0.30 3.82 0.11 0.40 -4.94 120.40 119.67 3mjg s VAL 89 Ca 0.16 -0.91 -0.19 0.00 -2.93 0.00 0.00 61.98 58.12 3mjg s VAL 89 Cb -0.12 -1.06 -0.01 0.00 -1.53 0.00 0.00 36.38 33.65 3mjg s VAL 89 CO 0.06 0.14 0.55 -0.89 -3.33 0.00 0.00 175.10 171.62 3mjg s THR 90 N -0.68 5.01 -0.08 5.04 2.01 -1.26 -0.90 115.64 124.78 3mjg s THR 90 Ca 0.04 0.70 -0.04 0.00 0.31 0.00 0.00 61.69 62.70 3mjg s THR 90 Cb -0.07 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3mjg s THR 90 CO 0.01 -0.07 0.09 -0.76 -0.69 0.00 0.00 174.62 173.19 3mjg s LEU 91 N 2.42 4.04 -0.15 4.42 1.43 -0.07 -4.94 118.68 125.84 3mjg s LEU 91 Ca 0.21 0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3mjg s LEU 91 Cb -0.15 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 3mjg s LEU 91 CO 0.11 0.37 -0.08 -0.70 0.23 0.00 0.00 176.35 176.28 3mjg s GLU 92 N -1.15 3.51 0.19 1.70 2.12 -1.26 -1.14 118.70 122.68 3mjg s GLU 92 Ca 0.16 -0.61 0.11 0.00 0.36 0.00 0.00 54.97 55.00 3mjg s GLU 92 Cb -0.12 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 3mjg s GLU 92 CO 0.06 0.20 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.23 3mjg s ASP 93 N 0.44 3.39 -0.09 -1.70 1.11 -0.41 -4.58 116.67 114.83 3mjg s ASP 93 Ca -0.07 -0.87 -0.00 0.00 0.18 0.00 0.00 52.55 51.79 3mjg s ASP 93 Cb -0.15 -0.25 -0.03 0.00 1.07 0.00 0.00 42.92 43.56 3mjg s ASP 93 CO 0.04 0.11 -0.07 -1.00 1.18 0.00 0.00 175.17 175.43 3mjg s HIS 94 N -1.69 2.94 -0.08 4.23 3.76 -0.39 -1.29 115.29 122.77 3mjg s HIS 94 Ca 0.20 -0.12 0.20 0.00 -0.15 0.00 0.00 55.06 55.20 3mjg s HIS 94 Cb -0.08 -1.77 -0.30 0.00 1.11 0.00 0.00 32.58 31.54 3mjg s HIS 94 CO 0.10 0.20 0.35 1.28 -0.85 0.00 0.00 174.74 175.81 3mjg n LEU 95 N 2.63 0.00 -3.58 0.89 4.32 0.64 -4.60 117.00 117.30 3mjg n LEU 95 Ca -0.18 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.73 3mjg n LEU 95 Cb 0.53 0.14 -0.02 0.00 -1.62 0.00 0.00 43.42 42.44 3mjg n LEU 95 CO 0.28 0.14 0.56 0.00 -1.22 0.00 0.00 177.39 177.15 3mjg s ALA 96 N -3.18 -1.62 0.30 -1.18 0.00 -1.24 -4.92 121.76 109.92 3mjg s ALA 96 Ca -0.08 0.45 -0.04 0.00 0.00 0.00 0.00 51.96 52.29 3mjg s ALA 96 Cb 0.11 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 3mjg s ALA 96 CO 0.85 -0.84 0.41 0.00 0.00 0.00 0.00 175.76 176.17 3mjg s LYS 98 N -3.48 0.91 -0.15 0.00 -2.85 -0.89 -4.76 119.74 108.51 3mjg s LYS 98 Ca 0.31 -0.10 -0.29 0.00 -1.00 0.00 0.00 55.97 54.89 3mjg s LYS 98 Cb 0.01 0.42 -0.01 0.00 -2.06 0.00 0.00 37.83 36.20 3mjg s LYS 98 CO 0.17 -0.35 1.07 0.00 0.10 0.00 0.00 175.35 176.34 3mjg s GLU 100 N 2.66 3.36 0.13 0.00 2.12 0.83 -4.85 118.70 122.96 3mjg s GLU 100 Ca 0.48 -0.46 -0.31 0.00 0.36 0.00 0.00 54.97 55.04 3mjg s GLU 100 Cb -0.18 -2.87 -0.09 0.00 0.26 0.00 0.00 34.13 31.25 3mjg s GLU 100 CO 0.13 0.46 1.48 -0.08 -0.54 0.00 0.00 175.26 176.71 3mjg s THR 101 N -0.21 2.99 0.00 -1.70 -1.32 -1.26 -1.00 115.64 113.14 3mjg s THR 101 Ca 0.05 0.70 0.00 0.00 -1.21 0.00 0.00 61.69 61.23 3mjg s THR 101 Cb -0.13 -3.45 0.00 0.00 -1.51 0.00 0.00 72.50 67.42 3mjg s THR 101 CO 0.02 0.05 0.43 0.55 -2.21 0.00 0.00 174.62 173.46