#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dip s SER 2 N 0.00 3.43 0.16 1.61 0.15 -1.26 -5.04 113.70 112.75 2dip s SER 2 Ca 0.00 -0.37 -0.18 0.00 0.70 0.00 0.00 55.95 56.10 2dip s SER 2 Cb 0.00 -0.57 0.06 0.00 -1.71 0.00 0.00 66.02 63.80 2dip s SER 2 CO 0.00 0.33 1.67 -1.28 1.20 0.00 0.00 173.24 175.16 2dip h SER 3 N 5.47 -0.38 0.00 5.45 0.87 -2.13 -3.48 113.55 119.35 2dip h SER 3 Ca -0.44 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2dip h SER 3 Cb 1.14 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2dip h SER 3 CO 0.48 -0.14 0.00 0.61 -0.53 0.00 0.00 176.83 177.25 2dip n GLY 4 N -1.29 1.11 3.64 5.77 0.00 -1.26 -4.96 105.19 108.19 2dip n GLY 4 Ca 0.01 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 44.96 2dip n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dip s SER 5 N -4.00 -0.64 -0.29 1.61 0.01 -1.26 -5.17 113.70 103.95 2dip s SER 5 Ca 0.00 1.07 -0.23 0.00 1.31 0.00 0.00 55.95 58.10 2dip s SER 5 Cb 0.00 1.22 0.17 0.00 0.21 0.00 0.00 66.02 67.62 2dip s SER 5 CO 0.00 -0.17 1.26 -0.94 0.41 0.00 0.00 173.24 173.79 2dip s SER 6 N 1.17 -0.21 0.52 2.44 1.04 -1.26 -5.19 113.70 112.22 2dip s SER 6 Ca -0.07 0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.78 2dip s SER 6 Cb -0.04 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.66 2dip s SER 6 CO -0.14 -0.07 0.21 0.61 0.98 0.00 0.00 173.24 174.84 2dip n GLY 7 N 2.19 3.14 3.44 7.32 0.00 -1.26 -5.16 105.19 114.86 2dip n GLY 7 Ca -0.13 -2.33 -0.23 0.00 0.00 0.00 0.00 46.02 43.33 2dip n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dip s LEU 8 N 0.00 1.91 0.55 0.99 1.43 -1.26 -5.17 118.68 117.13 2dip s LEU 8 Ca 0.16 -1.61 0.01 0.00 -1.03 0.00 0.00 54.13 51.66 2dip s LEU 8 Cb -0.01 -0.01 0.03 0.00 0.03 0.00 0.00 46.19 46.23 2dip s LEU 8 CO 0.10 -0.89 0.78 -1.61 0.23 0.00 0.00 176.35 174.96 2dip s GLU 9 N -3.75 2.55 0.19 1.70 0.41 -1.26 -5.09 118.70 113.45 2dip s GLU 9 Ca 0.30 -0.76 -0.11 0.00 -0.41 0.00 0.00 54.97 53.99 2dip s GLU 9 Cb 0.04 -2.48 -0.07 0.00 -1.78 0.00 0.00 34.13 29.84 2dip s GLU 9 CO 0.16 -0.71 0.54 -1.83 -0.49 0.00 0.00 175.26 172.93 2dip s GLU 10 N -4.77 3.86 -0.50 1.61 -1.05 -1.26 -5.03 118.70 111.56 2dip s GLU 10 Ca 0.57 0.34 -0.28 0.00 -0.15 0.00 0.00 54.97 55.45 2dip s GLU 10 Cb -0.10 -2.77 0.03 0.00 -0.44 0.00 0.00 34.13 30.84 2dip s GLU 10 CO 0.39 0.39 1.08 -0.06 0.95 0.00 0.00 175.26 178.01 2dip s PHE 11 N -1.66 2.79 -1.14 4.83 0.40 -1.26 -4.95 117.98 116.99 2dip s PHE 11 Ca 0.43 0.51 -0.22 0.00 -0.60 0.00 0.00 56.93 57.05 2dip s PHE 11 Cb -0.13 -4.32 0.00 0.00 0.51 0.00 0.00 43.02 39.08 2dip s PHE 11 CO 0.20 -1.31 1.77 0.15 0.70 0.00 0.00 175.22 176.74 2dip s LYS 12 N 4.36 3.23 -0.57 0.44 3.01 -1.26 -4.91 119.74 124.04 2dip s LYS 12 Ca 0.43 -1.28 -0.12 0.00 -1.01 0.00 0.00 55.97 53.99 2dip s LYS 12 Cb -0.08 -5.33 0.14 0.00 -1.01 0.00 0.00 37.83 31.55 2dip s LYS 12 CO 0.28 -2.94 0.47 1.21 0.51 0.00 0.00 175.35 174.88 2dip s ASN 13 N 5.70 6.00 -0.20 2.83 2.47 -1.26 -5.02 114.94 125.46 2dip s ASN 13 Ca 0.59 -2.09 -0.10 0.00 0.42 0.00 0.00 52.86 51.68 2dip s ASN 13 Cb -0.00 -2.09 0.07 0.00 -1.45 0.00 0.00 41.25 37.78 2dip s ASN 13 CO 0.04 -0.70 0.48 -0.44 -3.72 0.00 0.00 177.10 172.77 2dip s SER 14 N 2.70 -0.60 -0.56 -4.21 0.01 -1.26 -5.12 113.70 104.67 2dip s SER 14 Ca 0.08 1.07 -0.16 0.00 1.31 0.00 0.00 55.95 58.24 2dip s SER 14 Cb -0.24 1.04 0.13 0.00 0.21 0.00 0.00 66.02 67.16 2dip s SER 14 CO -0.01 -0.21 0.54 -0.44 0.41 0.00 0.00 173.24 173.53 2dip s SER 15 N 1.67 6.21 0.07 2.44 0.01 -1.26 -5.03 113.70 117.81 2dip s SER 15 Ca -0.08 -1.78 -0.31 0.00 1.31 0.00 0.00 55.95 55.08 2dip s SER 15 Cb -0.08 -2.22 -0.10 0.00 0.21 0.00 0.00 66.02 63.83 2dip s SER 15 CO -0.15 -0.88 1.90 1.17 0.41 0.00 0.00 173.24 175.70 2dip n LYS 16 N 5.33 2.79 -2.59 12.44 4.81 -1.26 -4.91 118.16 134.77 2dip n LYS 16 Ca -0.12 1.02 -0.42 0.00 -0.87 0.00 0.00 58.31 57.91 2dip n LYS 16 Cb 0.41 -2.94 -0.02 0.00 0.02 0.00 0.00 35.03 32.49 2dip n LYS 16 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2dip s LEU 17 N 3.60 3.46 0.33 3.14 2.01 -1.26 -5.01 118.68 124.94 2dip s LEU 17 Ca 0.86 0.06 -0.08 0.00 0.01 0.00 0.00 54.13 54.98 2dip s LEU 17 Cb -0.47 -3.12 -0.06 0.00 0.01 0.00 0.00 46.19 42.54 2dip s LEU 17 CO 0.40 -1.49 0.64 0.54 1.01 0.00 0.00 176.35 177.45 2dip s VAL 18 N 4.96 4.91 0.74 -1.59 0.11 -1.26 -5.05 120.40 123.22 2dip s VAL 18 Ca 0.42 0.34 -0.16 0.00 -2.93 0.00 0.00 61.98 59.66 2dip s VAL 18 Cb -0.08 -3.71 0.00 0.00 -1.53 0.00 0.00 36.38 31.06 2dip s VAL 18 CO 0.25 -0.36 0.87 0.00 -3.33 0.00 0.00 175.10 172.52 2dip n ALA 19 N -0.96 -0.59 -3.50 1.54 0.00 -1.26 -4.98 120.51 110.76 2dip n ALA 19 Ca 0.00 -0.23 -0.36 0.00 0.00 0.00 0.00 53.44 52.86 2dip n ALA 19 Cb 0.54 -2.06 -0.13 0.00 0.00 0.00 0.00 19.45 17.80 2dip n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dip s ALA 20 N -1.88 2.88 0.22 0.00 0.00 -1.26 -5.08 121.76 116.64 2dip s ALA 20 Ca 0.71 -1.66 -0.18 0.00 0.00 0.00 0.00 51.96 50.83 2dip s ALA 20 Cb -0.34 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 20.81 2dip s ALA 20 CO 0.53 -1.16 0.56 0.00 0.00 0.00 0.00 175.76 175.68 2dip s ALA 21 N 1.33 -0.91 0.10 0.00 0.00 -1.26 -5.10 121.76 115.92 2dip s ALA 21 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2dip s ALA 21 Cb -0.19 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2dip s ALA 21 CO -0.00 -0.86 0.00 -1.91 0.00 0.00 0.00 175.76 172.99 2dip n GLU 22 N -0.37 0.00 -3.61 0.00 2.13 -1.26 -5.13 120.64 112.40 2dip n GLU 22 Ca -0.08 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.66 2dip n GLU 22 Cb 0.62 -0.49 -0.06 0.00 0.27 0.00 0.00 31.44 31.78 2dip n GLU 22 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2dip s LYS 23 N -2.00 0.44 -0.39 5.31 2.47 -1.26 -5.11 119.74 119.21 2dip s LYS 23 Ca 0.00 0.26 -0.27 0.00 -1.56 0.00 0.00 55.97 54.40 2dip s LYS 23 Cb 0.00 0.21 -0.05 0.00 -1.46 0.00 0.00 37.83 36.53 2dip s LYS 23 CO 0.00 -0.11 2.19 -2.00 0.16 0.00 0.00 175.35 175.59 2dip s GLU 24 N -0.56 2.69 0.54 4.03 -6.30 -1.26 -4.95 118.70 112.89 2dip s GLU 24 Ca 0.02 1.53 -0.12 0.00 -2.50 0.00 0.00 54.97 53.91 2dip s GLU 24 Cb -0.02 -4.43 -0.05 0.00 0.00 0.00 0.00 34.13 29.62 2dip s GLU 24 CO -0.04 -2.61 0.95 0.50 0.02 0.00 0.00 175.26 174.08 2dip s ARG 25 N 7.08 3.72 -0.88 4.30 6.06 -1.26 -4.95 118.95 133.01 2dip s ARG 25 Ca 0.92 0.69 -0.09 0.00 -2.50 0.00 0.00 55.73 54.75 2dip s ARG 25 Cb -0.23 -2.18 0.23 0.00 0.06 0.00 0.00 34.95 32.83 2dip s ARG 25 CO 0.30 -0.36 0.81 -1.17 -2.50 0.00 0.00 175.30 172.38 2dip s LEU 26 N -4.61 6.25 0.21 -0.88 0.20 -1.26 -4.92 118.68 113.66 2dip s LEU 26 Ca 0.54 -3.11 -0.12 0.00 0.69 0.00 0.00 54.13 52.14 2dip s LEU 26 Cb -0.10 -2.11 0.25 0.00 -0.43 0.00 0.00 46.19 43.80 2dip s LEU 26 CO 0.43 -0.41 1.66 -0.78 -0.29 0.00 0.00 176.35 176.96 2dip h ASP 27 N 7.12 -0.34 -0.56 3.68 1.82 -2.00 -1.99 116.42 124.15 2dip h ASP 27 Ca 0.11 0.15 0.09 0.00 -0.39 0.00 0.00 57.03 57.00 2dip h ASP 27 Cb 0.95 0.29 -0.09 0.00 0.68 0.00 0.00 39.33 41.16 2dip h ASP 27 CO 0.83 -0.13 -0.20 1.17 -1.61 0.00 0.00 179.24 179.30 2dip n LYS 28 N -5.31 -0.11 -3.67 0.28 3.00 -1.26 -2.95 118.16 108.14 2dip n LYS 28 Ca 0.08 0.86 -0.29 0.00 -0.00 0.00 0.00 58.31 58.95 2dip n LYS 28 Cb 0.33 -1.28 -0.13 0.00 0.00 0.00 0.00 35.03 33.94 2dip n LYS 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2dip s HIS 29 N -5.57 1.66 -0.21 5.64 2.46 -0.75 -4.95 115.29 113.56 2dip s HIS 29 Ca -0.08 -2.07 -0.04 0.00 0.47 0.00 0.00 55.06 53.34 2dip s HIS 29 Cb 0.12 -1.65 -0.20 0.00 -0.13 0.00 0.00 32.58 30.72 2dip s HIS 29 CO 0.41 -0.82 -0.00 1.28 -2.47 0.00 0.00 174.74 173.14 2dip n LEU 30 N 4.01 2.72 0.00 8.88 4.77 -1.15 -4.55 117.00 131.68 2dip n LEU 30 Ca 0.06 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2dip n LEU 30 Cb 0.37 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2dip n LEU 30 CO 0.19 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 2dip n GLY 31 N 2.04 1.68 3.01 -0.72 0.00 -1.26 -4.46 105.19 105.49 2dip n GLY 31 Ca -0.41 0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 2dip n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dip s ILE 32 N 0.00 -0.00 0.73 -0.61 1.01 -1.26 -5.12 121.20 115.95 2dip s ILE 32 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.54 2dip s ILE 32 Cb 0.00 -0.20 0.04 0.00 0.01 0.00 0.00 42.46 42.30 2dip s ILE 32 CO 0.00 0.00 1.10 -2.16 0.00 0.00 0.00 174.94 173.88 2dip s PRO 33 N 0.15 2.46 0.58 2.79 0.04 -1.26 -4.71 135.00 135.05 2dip s PRO 33 Ca -0.01 1.25 -0.18 0.00 0.04 0.00 0.00 61.00 62.10 2dip s PRO 33 Cb -0.02 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2dip s PRO 33 CO -0.00 -1.50 1.14 0.00 0.04 0.00 0.00 177.00 176.68 2dip n ASN 35 N -1.62 0.66 0.00 0.00 2.85 0.21 -3.16 115.26 114.19 2dip n ASN 35 Ca 0.12 -0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.20 2dip n ASN 35 Cb 0.51 0.74 0.00 0.00 1.24 0.00 0.00 39.78 42.27 2dip n ASN 35 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2dip n ASN 36 N -1.76 0.00 0.21 1.20 5.15 -1.26 -4.69 115.26 114.10 2dip n ASN 36 Ca 0.03 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.11 2dip n ASN 36 Cb 0.39 -0.34 0.28 0.00 -0.53 0.00 0.00 39.78 39.58 2dip n ASN 36 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dip n LYS 38 N -3.20 -5.13 -2.50 0.00 4.76 -1.19 -4.96 118.16 105.94 2dip n LYS 38 Ca 0.02 0.53 -0.43 0.00 -2.87 0.00 0.00 58.31 55.56 2dip n LYS 38 Cb 0.53 -4.68 -0.02 0.00 -1.84 0.00 0.00 35.03 29.02 2dip n LYS 38 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2dip s GLN 39 N -5.84 4.22 -0.12 1.97 0.74 -1.26 -4.68 119.66 114.69 2dip s GLN 39 Ca 0.37 1.54 -0.05 0.00 0.05 0.00 0.00 55.36 57.27 2dip s GLN 39 Cb -0.17 -3.73 0.06 0.00 1.10 0.00 0.00 33.01 30.27 2dip s GLN 39 CO 0.47 -0.71 0.26 0.12 -0.55 0.00 0.00 175.29 174.88 2dip s PHE 40 N 3.46 -0.39 0.97 1.67 5.36 -1.26 -3.01 117.98 124.77 2dip s PHE 40 Ca 0.51 0.90 -0.12 0.00 -0.96 0.00 0.00 56.93 57.27 2dip s PHE 40 Cb -0.19 0.02 0.17 0.00 -0.34 0.00 0.00 43.02 42.67 2dip s PHE 40 CO 0.12 -0.30 1.09 -1.25 -1.46 0.00 0.00 175.22 173.43 2dip s PRO 41 N 1.85 0.68 -0.50 10.12 0.04 -1.26 -5.02 135.00 140.91 2dip s PRO 41 Ca -0.04 0.61 -0.19 0.00 0.04 0.00 0.00 61.00 61.43 2dip s PRO 41 Cb -0.11 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.73 2dip s PRO 41 CO -0.09 -2.58 0.59 0.42 0.04 0.00 0.00 177.00 175.38 2dip s ILE 42 N -2.95 4.93 0.02 0.56 1.01 -1.24 -4.94 121.20 118.59 2dip s ILE 42 Ca 0.65 -0.59 -0.25 0.00 0.00 0.00 0.00 60.65 60.45 2dip s ILE 42 Cb -0.18 -4.28 -0.18 0.00 0.01 0.00 0.00 42.46 37.83 2dip s ILE 42 CO 0.57 -0.78 1.44 -0.33 0.00 0.00 0.00 174.94 175.84 2dip h GLU 43 N 8.96 0.00 0.00 2.79 4.39 -1.93 -3.45 114.58 125.34 2dip h GLU 43 Ca -0.28 -0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.07 2dip h GLU 43 Cb 1.10 -0.00 0.18 0.00 -0.10 0.00 0.00 28.75 29.93 2dip h GLU 43 CO 0.95 0.31 0.07 0.41 -1.16 0.00 0.00 179.01 179.59 2dip n GLY 44 N -0.25 -2.93 3.25 -3.84 0.00 -1.26 -5.00 105.19 95.17 2dip n GLY 44 Ca -0.08 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 2dip n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dip n LYS 45 N -4.65 -2.65 -4.07 1.61 4.76 -1.26 -4.62 118.16 107.28 2dip n LYS 45 Ca 0.13 -0.77 -0.32 0.00 -2.87 0.00 0.00 58.31 54.49 2dip n LYS 45 Cb 0.53 -1.80 -0.15 0.00 -1.84 0.00 0.00 35.03 31.77 2dip n LYS 45 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dip s TYR 47 N 1.13 3.08 -0.01 0.00 1.51 -0.15 -2.61 117.35 120.29 2dip s TYR 47 Ca -0.07 -0.03 -0.03 0.00 -1.01 0.00 0.00 57.07 55.92 2dip s TYR 47 Cb -0.19 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.16 2dip s TYR 47 CO -0.06 0.52 0.07 0.21 -1.11 0.00 0.00 175.55 175.18 2dip s LYS 48 N -2.91 0.23 -0.28 -0.62 2.20 -0.77 -0.28 119.74 117.31 2dip s LYS 48 Ca 0.30 -0.14 -0.22 0.00 -0.36 0.00 0.00 55.97 55.54 2dip s LYS 48 Cb -0.10 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.30 2dip s LYS 48 CO 0.22 -0.04 0.71 0.00 -0.36 0.00 0.00 175.35 175.87 2dip n THR 50 N 5.36 0.12 -0.00 0.00 -2.24 0.15 -3.32 114.28 114.35 2dip n THR 50 Ca 0.02 -0.12 -0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2dip n THR 50 Cb 0.48 0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.76 2dip n THR 50 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dip n GLU 51 N -0.23 2.39 -1.92 -0.78 1.02 -1.26 -4.97 120.64 114.89 2dip n GLU 51 Ca 0.03 -0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.07 2dip n GLU 51 Cb 0.08 -1.02 0.04 0.00 -0.02 0.00 0.00 31.44 30.51 2dip n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dip s ILE 53 N -0.92 2.14 -1.32 0.00 -1.09 -1.26 -4.74 121.20 114.02 2dip s ILE 53 Ca 0.31 -0.98 -0.05 0.00 -2.23 0.00 0.00 60.65 57.70 2dip s ILE 53 Cb -0.02 -1.83 -0.00 0.00 -1.58 0.00 0.00 42.46 39.02 2dip s ILE 53 CO 0.20 0.55 0.58 -0.62 -1.23 0.00 0.00 174.94 174.43 2dip n GLU 54 N 3.61 -3.31 -4.97 2.79 1.02 -1.26 -4.98 120.64 113.55 2dip n GLU 54 Ca -0.19 0.48 -0.29 0.00 -0.02 0.00 0.00 57.16 57.14 2dip n GLU 54 Cb 0.53 -4.64 -0.17 0.00 -0.02 0.00 0.00 31.44 27.14 2dip n GLU 54 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2dip s TYR 55 N -3.77 2.09 -0.10 -0.32 5.04 -1.26 -5.00 117.35 114.02 2dip s TYR 55 Ca 0.11 -0.79 -0.07 0.00 -2.44 0.00 0.00 57.07 53.88 2dip s TYR 55 Cb -0.04 -1.42 0.04 0.00 0.35 0.00 0.00 41.96 40.88 2dip s TYR 55 CO 0.86 -0.33 0.25 -1.01 -1.34 0.00 0.00 175.55 173.98 2dip s HIS 56 N 0.37 -0.31 0.42 4.97 3.76 -1.26 -2.36 115.29 120.88 2dip s HIS 56 Ca -0.15 0.74 0.07 0.00 -0.15 0.00 0.00 55.06 55.58 2dip s HIS 56 Cb -0.16 0.07 -0.04 0.00 1.11 0.00 0.00 32.58 33.56 2dip s HIS 56 CO 0.06 -0.19 0.21 -0.51 -0.85 0.00 0.00 174.74 173.46 2dip s LEU 57 N 0.74 3.11 0.07 0.89 1.43 0.62 0.64 118.68 126.18 2dip s LEU 57 Ca -0.05 -1.06 0.08 0.00 -1.03 0.00 0.00 54.13 52.07 2dip s LEU 57 Cb -0.06 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 2dip s LEU 57 CO -0.05 -0.59 -0.20 0.00 0.23 0.00 0.00 176.35 175.74 2dip n GLN 59 N 1.36 -0.03 0.10 0.00 -0.06 -1.16 -0.36 117.38 117.21 2dip n GLN 59 Ca -0.16 0.97 -0.04 0.00 -2.00 0.00 0.00 57.00 55.77 2dip n GLN 59 Cb 0.52 -1.82 -0.02 0.00 -4.06 0.00 0.00 30.24 24.86 2dip n GLN 59 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2dip h GLU 60 N 0.00 -0.24 -0.89 3.69 4.81 -1.94 -2.30 114.58 117.71 2dip h GLU 60 Ca 0.64 0.02 0.23 0.00 -0.13 0.00 0.00 59.36 60.12 2dip h GLU 60 Cb 1.89 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 31.27 2dip h GLU 60 CO -0.45 -0.16 0.61 0.00 -0.73 0.00 0.00 179.01 178.29 2dip h PHE 62 N 0.20 0.06 -0.05 0.00 3.57 -0.88 -2.03 116.94 117.80 2dip h PHE 62 Ca 0.45 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.96 2dip h PHE 62 Cb 1.44 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.16 2dip h PHE 62 CO -0.00 0.25 0.05 0.22 -2.23 0.00 0.00 178.31 176.59 2dip h ASP 63 N 0.05 0.00 1.55 0.41 1.82 0.45 0.26 116.42 120.96 2dip h ASP 63 Ca 0.01 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.60 2dip h ASP 63 Cb 0.37 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 2dip h ASP 63 CO 0.03 0.00 -0.46 -1.28 -1.61 0.00 0.00 179.24 175.91 2dip h SER 64 N 0.00 0.00 -6.02 2.28 0.87 -1.44 -3.48 113.55 105.76 2dip h SER 64 Ca 0.02 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 60.16 2dip h SER 64 Cb 0.12 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.15 2dip h SER 64 CO -0.00 0.23 -0.75 -1.22 -0.53 0.00 0.00 176.83 174.56 2dip n TYR 65 N -3.06 -2.40 -0.04 2.24 4.02 0.08 -4.93 117.16 113.06 2dip n TYR 65 Ca 0.01 0.93 -0.03 0.00 -0.01 0.00 0.00 57.90 58.81 2dip n TYR 65 Cb 0.63 -4.56 -0.03 0.00 -0.02 0.00 0.00 39.34 35.37 2dip n TYR 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dip n HIS 67 N -4.77 0.44 -0.03 0.00 -0.00 -1.26 -3.85 115.22 105.75 2dip n HIS 67 Ca -0.02 0.13 0.20 0.00 -0.00 0.00 0.00 57.72 58.03 2dip n HIS 67 Cb 0.11 -0.70 0.39 0.00 -0.00 0.00 0.00 29.99 29.79 2dip n HIS 67 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2dip h LEU 68 N 0.00 0.00 -1.72 0.27 -0.00 -1.95 0.12 115.31 112.03 2dip h LEU 68 Ca 0.00 0.00 0.41 0.00 -0.00 0.00 0.00 57.88 58.29 2dip h LEU 68 Cb 0.62 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.19 2dip h LEU 68 CO 0.00 0.00 0.95 0.28 -0.00 0.00 0.00 178.44 179.67 2dip h SER 69 N 0.00 0.14 -1.42 -0.43 0.02 -1.82 -3.40 113.55 106.65 2dip h SER 69 Ca 0.33 0.05 -0.47 0.00 -0.84 0.00 0.00 61.79 60.86 2dip h SER 69 Cb 2.42 0.04 0.05 0.00 0.14 0.00 0.00 62.40 65.04 2dip h SER 69 CO -0.00 -0.04 -0.05 -1.00 -1.14 0.00 0.00 176.83 174.60 2dip s HIS 70 N -5.12 1.72 -0.64 3.45 3.76 0.43 -5.04 115.29 113.85 2dip s HIS 70 Ca -0.06 -0.50 -0.25 0.00 -0.15 0.00 0.00 55.06 54.10 2dip s HIS 70 Cb 0.26 -2.52 0.05 0.00 1.11 0.00 0.00 32.58 31.48 2dip s HIS 70 CO 0.83 -1.23 1.05 0.99 -0.85 0.00 0.00 174.74 175.53 2dip s THR 71 N -2.79 4.17 0.44 1.30 2.01 -1.26 -5.00 115.64 114.50 2dip s THR 71 Ca 0.62 0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.82 2dip s THR 71 Cb -0.06 -4.70 0.02 0.00 0.01 0.00 0.00 72.50 67.76 2dip s THR 71 CO 0.40 -1.44 0.60 -0.36 -0.69 0.00 0.00 174.62 173.13 2dip s PHE 72 N 4.51 2.70 -0.18 4.92 0.40 -1.26 -0.68 117.98 128.40 2dip s PHE 72 Ca 0.29 -0.40 -0.15 0.00 -0.60 0.00 0.00 56.93 56.08 2dip s PHE 72 Cb -0.13 -2.39 0.05 0.00 0.51 0.00 0.00 43.02 41.06 2dip s PHE 72 CO 0.15 -0.51 0.46 0.95 0.70 0.00 0.00 175.22 176.98 2dip s THR 73 N -2.40 -0.00 -0.05 0.64 -4.23 -0.69 -4.21 115.64 104.70 2dip s THR 73 Ca 0.56 0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 61.07 2dip s THR 73 Cb -0.10 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 73.06 2dip s THR 73 CO 0.34 0.01 0.05 0.72 -0.54 0.00 0.00 174.62 175.20 2dip s PHE 74 N 0.51 3.27 0.57 3.99 -0.71 -1.10 -1.85 117.98 122.65 2dip s PHE 74 Ca -0.02 0.24 0.08 0.00 -1.04 0.00 0.00 56.93 56.19 2dip s PHE 74 Cb -0.04 -1.78 0.08 0.00 -1.21 0.00 0.00 43.02 40.07 2dip s PHE 74 CO -0.03 0.54 0.69 2.89 -1.34 0.00 0.00 175.22 177.97 2dip n ARG 75 N 1.67 0.63 -4.41 1.99 1.85 -1.07 0.23 116.66 117.54 2dip n ARG 75 Ca -0.16 -3.22 -0.20 0.00 -1.00 0.00 0.00 57.85 53.27 2dip n ARG 75 Cb 0.53 -0.06 -0.10 0.00 -1.05 0.00 0.00 32.46 31.78 2dip n ARG 75 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2dip s GLU 76 N -4.52 1.54 1.02 2.89 2.02 -1.26 -4.71 118.70 115.68 2dip s GLU 76 Ca 0.52 -1.82 -0.17 0.00 0.02 0.00 0.00 54.97 53.52 2dip s GLU 76 Cb -0.04 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 33.30 2dip s GLU 76 CO 0.33 -0.10 -0.21 0.36 0.02 0.00 0.00 175.26 175.66 2dip n LYS 77 N -0.59 -0.59 -0.92 1.61 2.85 -1.26 -4.62 118.16 114.64 2dip n LYS 77 Ca -0.04 -0.15 -0.32 0.00 -1.05 0.00 0.00 58.31 56.75 2dip n LYS 77 Cb 0.65 -1.53 0.03 0.00 -0.65 0.00 0.00 35.03 33.53 2dip n LYS 77 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2dip n ARG 78 N -0.45 0.00 -3.34 -1.58 3.00 -1.26 -2.95 116.66 110.08 2dip n ARG 78 Ca 0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.67 2dip n ARG 78 Cb 0.60 -0.87 0.06 0.00 0.00 0.00 0.00 32.46 32.25 2dip n ARG 78 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2dip n ASN 79 N 2.85 -5.70 -2.10 6.15 3.02 -1.26 -4.99 115.26 113.24 2dip n ASN 79 Ca 0.00 -0.42 -0.09 0.00 -0.03 0.00 0.00 54.58 54.04 2dip n ASN 79 Cb 0.47 -4.34 -0.02 0.00 -0.61 0.00 0.00 39.78 35.27 2dip n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dip n GLN 80 N -4.20 0.33 -3.90 3.52 1.13 -1.15 -5.12 117.38 107.99 2dip n GLN 80 Ca -0.01 -1.57 -0.09 0.00 -1.94 0.00 0.00 57.00 53.39 2dip n GLN 80 Cb 0.56 1.45 -0.08 0.00 0.11 0.00 0.00 30.24 32.27 2dip n GLN 80 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2dip s LYS 81 N -2.51 0.71 0.99 -1.09 0.00 -1.26 -4.90 119.74 111.68 2dip s LYS 81 Ca 0.17 -0.86 -0.16 0.00 0.00 0.00 0.00 55.97 55.13 2dip s LYS 81 Cb -0.00 0.28 -0.04 0.00 0.00 0.00 0.00 37.83 38.07 2dip s LYS 81 CO 0.12 -0.20 -0.21 0.91 0.00 0.00 0.00 175.35 175.98 2dip n TRP 82 N 0.37 -2.75 -3.81 1.78 7.02 -1.26 -4.23 117.44 114.56 2dip n TRP 82 Ca -0.17 0.16 -0.18 0.00 -1.02 0.00 0.00 57.50 56.29 2dip n TRP 82 Cb 0.60 -1.61 -0.17 0.00 -2.42 0.00 0.00 31.31 27.72 2dip n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2dip s ARG 83 N -2.93 0.17 -0.42 -0.99 0.52 0.14 -4.93 118.95 110.52 2dip s ARG 83 Ca 0.49 0.18 -0.28 0.00 -0.52 0.00 0.00 55.73 55.60 2dip s ARG 83 Cb -0.17 -0.50 -0.02 0.00 0.52 0.00 0.00 34.95 34.78 2dip s ARG 83 CO 0.73 -0.21 1.86 -1.54 0.02 0.00 0.00 175.30 176.15 2dip s SER 84 N 1.42 5.62 0.82 0.23 1.04 -1.26 -2.73 113.70 118.84 2dip s SER 84 Ca -0.04 1.02 -0.14 0.00 0.48 0.00 0.00 55.95 57.27 2dip s SER 84 Cb -0.13 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.49 2dip s SER 84 CO -0.03 -1.97 0.74 0.18 0.98 0.00 0.00 173.24 173.14 2dip n LEU 85 N 11.35 1.86 -4.80 2.42 4.77 -1.26 -4.96 117.00 126.37 2dip n LEU 85 Ca 0.23 0.51 -0.32 0.00 -0.03 0.00 0.00 56.01 56.41 2dip n LEU 85 Cb 0.49 -1.32 0.04 0.00 -2.33 0.00 0.00 43.42 40.30 2dip n LEU 85 CO 0.69 -2.74 0.71 -1.61 -1.33 0.00 0.00 177.39 173.12 2dip s GLU 86 N -3.52 2.98 -0.34 3.23 0.41 -1.26 -4.91 118.70 115.29 2dip s GLU 86 Ca 0.66 1.10 -0.27 0.00 -0.41 0.00 0.00 54.97 56.04 2dip s GLU 86 Cb -0.29 -1.99 -0.05 0.00 -1.78 0.00 0.00 34.13 30.02 2dip s GLU 86 CO 0.58 -1.08 2.25 0.21 -0.49 0.00 0.00 175.26 176.74 2dip s LYS 87 N -4.63 2.75 1.30 1.61 2.47 -1.26 -4.95 119.74 117.04 2dip s LYS 87 Ca 0.61 1.72 -0.18 0.00 -1.56 0.00 0.00 55.97 56.56 2dip s LYS 87 Cb -0.15 -4.44 0.33 0.00 -1.46 0.00 0.00 37.83 32.10 2dip s LYS 87 CO 0.48 -2.54 0.98 -0.98 0.16 0.00 0.00 175.35 173.45 2dip s ARG 88 N 7.03 -2.00 -0.57 4.03 1.04 -1.26 -4.90 118.95 122.32 2dip s ARG 88 Ca 0.97 0.43 -0.27 0.00 -1.04 0.00 0.00 55.73 55.82 2dip s ARG 88 Cb -0.26 -1.46 0.03 0.00 -2.04 0.00 0.00 34.95 31.22 2dip s ARG 88 CO 0.31 -4.33 1.13 0.00 -0.04 0.00 0.00 175.30 172.37 2dip s ALA 89 N -2.39 3.04 -0.05 7.88 0.00 -1.26 -4.99 121.76 123.99 2dip s ALA 89 Ca 0.69 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 2dip s ALA 89 Cb -0.18 -3.96 0.04 0.00 0.00 0.00 0.00 23.12 19.02 2dip s ALA 89 CO 0.61 -2.57 0.11 0.34 0.00 0.00 0.00 175.76 174.24 2dip s ASP 90 N 2.90 0.05 0.57 0.00 2.15 -1.26 -5.16 116.67 115.92 2dip s ASP 90 Ca 0.40 0.21 0.02 0.00 0.43 0.00 0.00 52.55 53.62 2dip s ASP 90 Cb -0.09 0.10 0.05 0.00 -0.30 0.00 0.00 42.92 42.69 2dip s ASP 90 CO 0.24 -0.15 0.79 -1.61 -0.17 0.00 0.00 175.17 174.27 2dip s GLU 91 N 1.26 2.40 0.47 4.34 8.01 -1.26 -5.08 118.70 128.84 2dip s GLU 91 Ca -0.08 -0.95 -0.20 0.00 0.01 0.00 0.00 54.97 53.75 2dip s GLU 91 Cb -0.12 -2.50 -0.09 0.00 -4.31 0.00 0.00 34.13 27.11 2dip s GLU 91 CO -0.05 -0.81 1.00 0.54 0.01 0.00 0.00 175.26 175.95 2dip s VAL 92 N -2.78 4.11 -0.16 2.63 0.11 -1.26 -5.07 120.40 117.99 2dip s VAL 92 Ca 0.59 1.27 -0.29 0.00 -2.93 0.00 0.00 61.98 60.62 2dip s VAL 92 Cb -0.09 -3.53 0.10 0.00 -1.53 0.00 0.00 36.38 31.32 2dip s VAL 92 CO 0.39 -0.33 0.84 -0.55 -3.33 0.00 0.00 175.10 172.12 2dip s SER 93 N -2.21 -0.55 0.00 3.54 0.15 -1.26 -5.13 113.70 108.24 2dip s SER 93 Ca 0.64 0.77 0.00 0.00 0.70 0.00 0.00 55.95 58.06 2dip s SER 93 Cb -0.13 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2dip s SER 93 CO 0.19 -0.39 0.03 0.61 1.20 0.00 0.00 173.24 174.87 2dip n GLY 94 N 1.37 1.25 3.58 9.45 0.00 -1.26 -4.75 105.19 114.83 2dip n GLY 94 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2dip n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dip s PRO 95 N -0.05 3.03 0.45 1.61 0.04 -1.26 -4.98 135.00 133.83 2dip s PRO 95 Ca 0.00 0.98 -0.21 0.00 0.04 0.00 0.00 61.00 61.81 2dip s PRO 95 Cb 0.00 -4.26 -0.10 0.00 0.04 0.00 0.00 34.50 30.18 2dip s PRO 95 CO 0.00 -2.23 0.99 -1.54 0.04 0.00 0.00 177.00 174.26 2dip s SER 96 N 6.74 6.72 -0.02 6.66 1.04 -1.26 -5.06 113.70 128.51 2dip s SER 96 Ca 0.71 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.95 2dip s SER 96 Cb -0.17 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.37 2dip s SER 96 CO 0.27 -0.52 0.03 -0.55 0.98 0.00 0.00 173.24 173.45 2dip s SER 97 N -2.05 5.32 0.00 7.02 0.15 -1.26 -5.26 113.70 117.62 2dip s SER 97 Ca 0.63 0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.36 2dip s SER 97 Cb -0.13 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.72 2dip s SER 97 CO 0.17 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.52