#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cup s SER 2 N 0.00 6.72 -0.64 1.61 1.04 -1.26 -4.97 113.70 116.20 2cup s SER 2 Ca 0.00 -2.27 -0.17 0.00 0.48 0.00 0.00 55.95 53.99 2cup s SER 2 Cb 0.00 -2.38 0.14 0.00 0.10 0.00 0.00 66.02 63.88 2cup s SER 2 CO 0.00 -0.95 0.66 -0.44 0.98 0.00 0.00 173.24 173.49 2cup s SER 3 N 3.33 6.33 -0.30 7.02 0.01 -1.26 -4.96 113.70 123.87 2cup s SER 3 Ca 0.33 -1.88 -0.16 0.00 1.31 0.00 0.00 55.95 55.55 2cup s SER 3 Cb -0.05 -2.25 0.18 0.00 0.21 0.00 0.00 66.02 64.10 2cup s SER 3 CO -0.08 -0.90 1.09 -0.83 0.41 0.00 0.00 173.24 172.93 2cup s GLY 4 N 3.31 -0.11 -0.25 3.44 0.00 -1.26 -5.05 107.32 107.40 2cup s GLY 4 Ca 0.11 3.14 -0.02 0.00 0.00 0.00 0.00 44.72 47.94 2cup s GLY 4 CO 0.01 3.46 -0.25 -1.26 0.00 0.00 0.00 173.10 175.05 2cup n SER 5 N 5.02 2.03 -4.15 1.64 2.88 -1.26 -4.81 113.62 114.96 2cup n SER 5 Ca -0.08 -0.01 -0.39 0.00 -1.33 0.00 0.00 58.87 57.07 2cup n SER 5 Cb 0.54 -0.49 -0.08 0.00 -0.75 0.00 0.00 64.21 63.42 2cup n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cup s SER 6 N -6.65 5.56 0.17 -3.46 0.01 -1.26 -5.07 113.70 103.01 2cup s SER 6 Ca -0.34 -2.65 0.01 0.00 1.31 0.00 0.00 55.95 54.28 2cup s SER 6 Cb 0.10 -1.93 0.02 0.00 0.21 0.00 0.00 66.02 64.42 2cup s SER 6 CO 0.54 -0.46 0.14 0.61 0.41 0.00 0.00 173.24 174.48 2cup n GLY 7 N 3.83 1.66 3.67 3.44 0.00 -1.26 -2.06 105.19 114.47 2cup n GLY 7 Ca 0.06 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 2cup n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cup n VAL 9 N 1.45 0.00 -0.09 0.00 0.24 -0.96 -2.32 118.33 116.64 2cup n VAL 9 Ca -0.15 -0.28 -0.14 0.00 -2.04 0.00 0.00 64.34 61.74 2cup n VAL 9 Cb 0.53 0.91 -0.06 0.00 -1.47 0.00 0.00 33.84 33.75 2cup n VAL 9 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2cup n GLU 10 N 0.16 0.52 -0.35 7.34 0.00 -1.26 -4.52 120.64 122.52 2cup n GLU 10 Ca 0.13 0.47 0.08 0.00 0.00 0.00 0.00 57.16 57.84 2cup n GLU 10 Cb 0.44 -1.65 0.24 0.00 0.00 0.00 0.00 31.44 30.47 2cup n GLU 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2cup n ARG 12 N 0.64 -2.64 -4.27 0.00 3.00 -0.98 -4.92 116.66 107.49 2cup n ARG 12 Ca 0.18 0.30 -0.26 0.00 -0.01 0.00 0.00 57.85 58.06 2cup n ARG 12 Cb 0.64 -4.93 -0.08 0.00 0.00 0.00 0.00 32.46 28.08 2cup n ARG 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2cup s LYS 13 N -6.11 2.20 0.34 5.56 -0.14 -1.23 -4.81 119.74 115.55 2cup s LYS 13 Ca 0.43 -1.25 -0.28 0.00 -1.36 0.00 0.00 55.97 53.51 2cup s LYS 13 Cb -0.24 -2.22 -0.10 0.00 -1.68 0.00 0.00 37.83 33.60 2cup s LYS 13 CO 0.52 0.43 1.21 -1.25 -0.76 0.00 0.00 175.35 175.51 2cup s PRO 14 N -3.02 4.34 -0.21 -1.68 0.04 -1.26 0.10 135.00 133.32 2cup s PRO 14 Ca 0.27 2.01 -0.07 0.00 0.04 0.00 0.00 61.00 63.24 2cup s PRO 14 Cb -0.08 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 2cup s PRO 14 CO 0.17 -0.12 0.07 0.42 0.04 0.00 0.00 177.00 177.57 2cup s ILE 15 N -1.22 4.65 1.00 0.56 1.01 -0.87 -4.82 121.20 121.51 2cup s ILE 15 Ca 0.50 -0.07 -0.16 0.00 0.00 0.00 0.00 60.65 60.92 2cup s ILE 15 Cb -0.35 -3.12 0.20 0.00 0.01 0.00 0.00 42.46 39.19 2cup s ILE 15 CO 0.46 0.41 1.21 -0.83 0.00 0.00 0.00 174.94 176.20 2cup s GLY 16 N 0.80 1.67 -0.05 6.18 0.00 -1.26 -4.80 107.32 109.87 2cup s GLY 16 Ca 0.04 -0.93 -0.20 0.00 0.00 0.00 0.00 44.72 43.62 2cup s GLY 16 CO 0.02 -0.21 0.85 0.00 0.00 0.00 0.00 173.10 173.77 2cup h ALA 17 N -1.80 -0.06 -0.27 3.20 0.00 -1.99 -3.32 119.26 115.03 2cup h ALA 17 Ca -0.46 -0.79 -0.05 0.00 0.00 0.00 0.00 54.91 53.61 2cup h ALA 17 Cb 1.28 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2cup h ALA 17 CO 0.45 0.51 -0.03 0.22 0.00 0.00 0.00 179.25 180.40 2cup h ASP 18 N -0.28 0.39 -3.88 0.00 1.82 -2.06 -3.43 116.42 108.99 2cup h ASP 18 Ca -0.19 -0.07 -0.52 0.00 -0.39 0.00 0.00 57.03 55.86 2cup h ASP 18 Cb 1.75 -0.10 0.06 0.00 0.68 0.00 0.00 39.33 41.72 2cup h ASP 18 CO 0.16 0.48 0.61 -0.94 -1.61 0.00 0.00 179.24 177.93 2cup s SER 19 N -6.79 6.82 -0.64 2.28 1.04 -1.25 -4.95 113.70 110.21 2cup s SER 19 Ca -0.07 2.61 -0.27 0.00 0.48 0.00 0.00 55.95 58.70 2cup s SER 19 Cb 0.16 -2.64 0.03 0.00 0.10 0.00 0.00 66.02 63.66 2cup s SER 19 CO 0.75 -0.49 1.20 -0.54 0.98 0.00 0.00 173.24 175.13 2cup s LYS 20 N -1.78 3.37 0.30 4.02 3.01 -1.26 -4.82 119.74 122.57 2cup s LYS 20 Ca 0.49 -0.01 0.04 0.00 -1.01 0.00 0.00 55.97 55.48 2cup s LYS 20 Cb -0.38 -4.09 -0.02 0.00 -1.01 0.00 0.00 37.83 32.33 2cup s LYS 20 CO 0.50 -1.85 0.45 -1.83 0.51 0.00 0.00 175.35 173.13 2cup s GLU 21 N 5.14 3.34 -0.27 1.68 -1.05 -1.26 -3.15 118.70 123.12 2cup s GLU 21 Ca 0.38 -0.73 0.02 0.00 -0.15 0.00 0.00 54.97 54.49 2cup s GLU 21 Cb -0.08 -2.81 0.07 0.00 -0.44 0.00 0.00 34.13 30.87 2cup s GLU 21 CO 0.21 0.23 -0.02 0.08 0.95 0.00 0.00 175.26 176.70 2cup s VAL 22 N -2.13 1.78 -0.24 1.83 1.01 -0.75 -4.96 120.40 116.94 2cup s VAL 22 Ca 0.39 -1.61 -0.19 0.00 0.00 0.00 0.00 61.98 60.57 2cup s VAL 22 Cb -0.09 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 2cup s VAL 22 CO 0.31 -0.27 0.56 -2.28 0.00 0.00 0.00 175.10 173.42 2cup s HIS 23 N 1.23 3.31 -0.19 5.22 5.04 -1.26 -2.03 115.29 126.62 2cup s HIS 23 Ca -0.01 0.75 -0.11 0.00 -1.54 0.00 0.00 55.06 54.16 2cup s HIS 23 Cb -0.19 -2.75 0.06 0.00 0.04 0.00 0.00 32.58 29.74 2cup s HIS 23 CO -0.08 -0.24 0.45 -0.47 -2.34 0.00 0.00 174.74 172.06 2cup s TYR 24 N 2.16 -0.67 -1.36 3.88 5.04 -1.06 -4.91 117.35 120.45 2cup s TYR 24 Ca 0.24 1.41 -0.05 0.00 -2.44 0.00 0.00 57.07 56.23 2cup s TYR 24 Cb -0.16 0.32 0.02 0.00 0.35 0.00 0.00 41.96 42.49 2cup s TYR 24 CO 0.09 -0.37 0.88 1.63 -1.34 0.00 0.00 175.55 176.44 2cup n LYS 25 N 4.20 -5.69 -3.18 4.97 4.76 -1.26 -1.36 118.16 120.60 2cup n LYS 25 Ca -0.22 0.67 -0.23 0.00 -2.87 0.00 0.00 58.31 55.66 2cup n LYS 25 Cb 0.56 -5.45 0.04 0.00 -1.84 0.00 0.00 35.03 28.35 2cup n LYS 25 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2cup n ASN 26 N -3.01 -6.12 -3.36 4.39 4.13 -1.26 -4.98 115.26 105.05 2cup n ASN 26 Ca -0.17 -0.36 -0.20 0.00 1.68 0.00 0.00 54.58 55.53 2cup n ASN 26 Cb 0.62 -4.92 -0.06 0.00 -1.54 0.00 0.00 39.78 33.89 2cup n ASN 26 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2cup n ARG 27 N -4.27 0.60 -3.65 3.52 5.12 -0.46 -5.17 116.66 112.35 2cup n ARG 27 Ca -0.08 -2.83 -0.05 0.00 -1.93 0.00 0.00 57.85 52.96 2cup n ARG 27 Cb 0.60 1.64 -0.06 0.00 -1.16 0.00 0.00 32.46 33.48 2cup n ARG 27 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2cup s PHE 28 N -2.85 -1.12 0.04 -1.55 0.40 -1.25 -2.55 117.98 109.09 2cup s PHE 28 Ca 0.19 2.12 0.07 0.00 -0.60 0.00 0.00 56.93 58.71 2cup s PHE 28 Cb 0.01 0.66 -0.02 0.00 0.51 0.00 0.00 43.02 44.17 2cup s PHE 28 CO 0.14 -0.56 -0.20 -1.58 0.70 0.00 0.00 175.22 173.72 2cup s TRP 29 N 2.08 1.72 0.83 0.36 0.51 -0.86 -2.27 118.94 121.31 2cup s TRP 29 Ca -0.08 -0.37 -0.11 0.00 -2.12 0.00 0.00 56.10 53.42 2cup s TRP 29 Cb -0.08 -1.03 0.09 0.00 -0.81 0.00 0.00 33.47 31.64 2cup s TRP 29 CO -0.19 0.07 1.10 -1.01 -0.51 0.00 0.00 176.95 176.41 2cup s HIS 30 N -0.77 2.34 -0.03 -1.98 3.76 -1.26 -1.80 115.29 115.55 2cup s HIS 30 Ca 0.07 1.51 0.28 0.00 -0.15 0.00 0.00 55.06 56.76 2cup s HIS 30 Cb -0.08 -3.12 1.44 0.00 1.11 0.00 0.00 32.58 31.93 2cup s HIS 30 CO 0.01 -2.14 1.86 0.38 -0.85 0.00 0.00 174.74 174.00 2cup h ASP 31 N -1.38 0.00 -0.19 1.40 2.03 -1.93 -0.20 116.42 116.15 2cup h ASP 31 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2cup h ASP 31 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2cup h ASP 31 CO 0.51 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 179.07 2cup n THR 32 N -2.50 1.05 -0.03 1.15 -2.24 -1.26 -4.60 114.28 105.84 2cup n THR 32 Ca -0.01 -1.05 -0.04 0.00 -2.27 0.00 0.00 64.05 60.68 2cup n THR 32 Cb 0.10 0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 68.75 2cup n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cup s PHE 34 N -2.15 1.96 0.33 0.00 5.36 -0.54 -4.88 117.98 118.06 2cup s PHE 34 Ca -0.07 0.62 -0.13 0.00 -0.96 0.00 0.00 56.93 56.39 2cup s PHE 34 Cb 0.02 -4.22 0.03 0.00 -0.34 0.00 0.00 43.02 38.51 2cup s PHE 34 CO 0.21 -2.33 0.65 -0.98 -1.46 0.00 0.00 175.22 171.31 2cup s ARG 35 N 6.03 1.97 0.89 10.12 1.70 -1.26 -3.58 118.95 134.82 2cup s ARG 35 Ca 0.64 -1.41 -0.11 0.00 -0.47 0.00 0.00 55.73 54.38 2cup s ARG 35 Cb -0.14 0.55 0.13 0.00 -0.57 0.00 0.00 34.95 34.92 2cup s ARG 35 CO 0.26 -0.88 1.09 0.00 -1.08 0.00 0.00 175.30 174.69 2cup n ALA 37 N -3.90 3.79 -0.10 0.00 0.00 -0.99 -3.25 120.51 116.06 2cup n ALA 37 Ca 0.07 -0.41 -0.20 0.00 0.00 0.00 0.00 53.44 52.90 2cup n ALA 37 Cb 0.55 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 2cup n ALA 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2cup n LYS 38 N -1.25 0.44 -0.00 0.00 5.02 -1.26 -4.67 118.16 116.43 2cup n LYS 38 Ca 0.03 0.18 0.09 0.00 -2.02 0.00 0.00 58.31 56.58 2cup n LYS 38 Cb 0.23 -1.25 -0.11 0.00 -0.02 0.00 0.00 35.03 33.88 2cup n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cup n LEU 40 N -1.51 -4.43 -4.32 0.00 7.99 -1.20 -4.95 117.00 108.58 2cup n LEU 40 Ca 0.03 -0.67 -0.32 0.00 -0.01 0.00 0.00 56.01 55.04 2cup n LEU 40 Cb 0.31 -3.10 -0.16 0.00 -0.11 0.00 0.00 43.42 40.36 2cup n LEU 40 CO 0.37 0.30 -0.54 -2.28 -1.51 0.00 0.00 177.39 173.73 2cup s HIS 41 N -3.40 2.48 0.03 -1.77 2.46 -1.26 -4.66 115.29 109.17 2cup s HIS 41 Ca 0.15 -0.53 -0.30 0.00 0.47 0.00 0.00 55.06 54.85 2cup s HIS 41 Cb -0.02 -1.59 -0.06 0.00 -0.13 0.00 0.00 32.58 30.77 2cup s HIS 41 CO 0.74 -0.09 1.42 -1.25 -2.47 0.00 0.00 174.74 173.10 2cup s PRO 42 N -0.37 4.28 -0.36 2.88 0.04 -1.26 0.78 135.00 140.99 2cup s PRO 42 Ca 0.03 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.17 2cup s PRO 42 Cb -0.12 -3.51 0.64 0.00 0.04 0.00 0.00 34.50 31.55 2cup s PRO 42 CO 0.02 -0.56 1.75 1.28 0.04 0.00 0.00 177.00 179.53 2cup n LEU 43 N 5.10 5.77 0.48 -3.56 7.99 -1.23 -4.63 117.00 126.91 2cup n LEU 43 Ca 0.13 -3.53 -0.20 0.00 -0.01 0.00 0.00 56.01 52.41 2cup n LEU 43 Cb 0.43 -0.75 -0.10 0.00 -0.11 0.00 0.00 43.42 42.90 2cup n LEU 43 CO 0.59 1.02 0.56 0.00 -1.51 0.00 0.00 177.39 178.06 2cup h ALA 44 N 1.45 -1.21 0.00 -1.18 0.00 -1.91 -3.17 119.26 113.24 2cup h ALA 44 Ca 0.41 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2cup h ALA 44 Cb 2.36 0.47 0.00 0.00 0.00 0.00 0.00 17.79 20.62 2cup h ALA 44 CO 0.79 -1.17 -0.49 -0.91 0.00 0.00 0.00 179.25 177.46 2cup h ASN 45 N -1.23 0.00 -1.10 0.00 2.35 -2.00 -3.47 115.58 110.13 2cup h ASN 45 Ca -0.12 -0.03 -0.48 0.00 -0.55 0.00 0.00 56.30 55.11 2cup h ASN 45 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 2cup h ASN 45 CO 0.20 0.02 -0.23 -1.61 -1.65 0.00 0.00 177.43 174.16 2cup s GLU 46 N -3.25 2.50 0.37 0.81 0.41 -1.20 -5.11 118.70 113.24 2cup s GLU 46 Ca 0.04 -1.55 -0.20 0.00 -0.41 0.00 0.00 54.97 52.85 2cup s GLU 46 Cb 0.09 -2.55 -0.10 0.00 -1.78 0.00 0.00 34.13 29.79 2cup s GLU 46 CO 0.72 -0.51 0.88 0.99 -0.49 0.00 0.00 175.26 176.84 2cup s THR 47 N -2.55 4.46 0.24 3.63 2.01 -1.26 -4.72 115.64 117.45 2cup s THR 47 Ca 0.53 1.38 0.07 0.00 0.31 0.00 0.00 61.69 63.98 2cup s THR 47 Cb -0.06 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 2cup s THR 47 CO 0.32 -0.18 -0.10 0.72 -0.69 0.00 0.00 174.62 174.69 2cup s PHE 48 N -2.01 1.84 -0.02 4.92 -0.12 -1.26 -4.49 117.98 116.85 2cup s PHE 48 Ca 0.57 -0.64 0.03 0.00 -0.05 0.00 0.00 56.93 56.84 2cup s PHE 48 Cb -0.11 -0.96 -0.00 0.00 -0.63 0.00 0.00 43.02 41.32 2cup s PHE 48 CO 0.16 0.32 -0.10 0.08 -0.05 0.00 0.00 175.22 175.63 2cup s VAL 49 N -2.99 0.81 -0.25 -2.49 1.01 0.12 -4.96 120.40 111.66 2cup s VAL 49 Ca 0.26 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2cup s VAL 49 Cb 0.01 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.76 2cup s VAL 49 CO 0.10 0.24 -0.08 0.00 0.00 0.00 0.00 175.10 175.36 2cup s ALA 50 N -0.06 2.24 -0.04 5.51 0.00 -1.26 -0.05 121.76 128.11 2cup s ALA 50 Ca 0.01 -1.56 -0.01 0.00 0.00 0.00 0.00 51.96 50.40 2cup s ALA 50 Cb -0.06 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.58 2cup s ALA 50 CO -0.00 -1.20 0.04 0.15 0.00 0.00 0.00 175.76 174.75 2cup s LYS 51 N 1.26 0.03 -0.50 0.00 3.01 -0.94 -4.85 119.74 117.75 2cup s LYS 51 Ca -0.07 0.27 -0.03 0.00 -1.01 0.00 0.00 55.97 55.13 2cup s LYS 51 Cb -0.19 -0.48 0.00 0.00 -1.01 0.00 0.00 37.83 36.15 2cup s LYS 51 CO -0.06 -0.26 0.44 -3.47 0.51 0.00 0.00 175.35 172.51 2cup n ASP 52 N 4.86 -3.39 -3.02 2.83 2.03 -1.26 -3.12 116.55 115.47 2cup n ASP 52 Ca -0.13 -0.21 -0.21 0.00 0.52 0.00 0.00 54.79 54.77 2cup n ASP 52 Cb 0.50 -2.21 0.01 0.00 -0.72 0.00 0.00 41.12 38.69 2cup n ASP 52 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2cup n ASN 53 N -0.46 -4.61 -3.83 1.67 4.13 -1.26 -4.95 115.26 105.95 2cup n ASN 53 Ca -0.01 -0.22 -0.18 0.00 1.68 0.00 0.00 54.58 55.85 2cup n ASN 53 Cb 0.53 -3.80 -0.16 0.00 -1.54 0.00 0.00 39.78 34.81 2cup n ASN 53 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2cup s LYS 54 N -5.67 0.37 0.04 3.52 -0.14 -1.18 -5.13 119.74 111.55 2cup s LYS 54 Ca 0.27 0.05 -0.28 0.00 -1.36 0.00 0.00 55.97 54.65 2cup s LYS 54 Cb -0.13 -0.54 -0.05 0.00 -1.68 0.00 0.00 37.83 35.43 2cup s LYS 54 CO 0.33 -0.13 0.89 0.42 -0.76 0.00 0.00 175.35 176.10 2cup s ILE 55 N 1.03 4.74 0.23 2.17 -1.09 -1.26 -2.22 121.20 124.80 2cup s ILE 55 Ca -0.10 1.89 -0.08 0.00 -2.23 0.00 0.00 60.65 60.13 2cup s ILE 55 Cb -0.14 -4.24 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 2cup s ILE 55 CO -0.02 0.27 0.33 -0.76 -1.23 0.00 0.00 174.94 173.54 2cup s LEU 56 N 0.39 0.67 0.38 2.97 1.43 0.93 -2.34 118.68 123.12 2cup s LEU 56 Ca 0.45 -1.13 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 2cup s LEU 56 Cb -0.21 1.18 -0.04 0.00 0.03 0.00 0.00 46.19 47.15 2cup s LEU 56 CO 0.26 -1.01 0.22 0.00 0.23 0.00 0.00 176.35 176.05 2cup h ASN 58 N 1.36 0.50 -0.77 0.00 4.21 -1.93 0.19 115.58 119.15 2cup h ASN 58 Ca -0.43 -0.07 0.19 0.00 1.21 0.00 0.00 56.30 57.20 2cup h ASN 58 Cb 1.26 -0.13 -0.04 0.00 -1.12 0.00 0.00 38.32 38.28 2cup h ASN 58 CO 0.63 0.42 0.53 0.11 -1.29 0.00 0.00 177.43 177.83 2cup h LYS 59 N 0.54 0.22 0.00 0.81 1.79 -1.96 -1.83 116.57 116.14 2cup h LYS 59 Ca 0.15 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.56 2cup h LYS 59 Cb 0.02 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 2cup h LYS 59 CO -0.03 0.15 -0.45 0.00 -1.08 0.00 0.00 179.45 178.03 2cup n THR 61 N -4.63 -0.35 -1.25 0.00 -2.24 0.62 -4.58 114.28 101.85 2cup n THR 61 Ca -0.10 1.92 -0.45 0.00 -2.27 0.00 0.00 64.05 63.15 2cup n THR 61 Cb 0.29 -3.12 -0.04 0.00 -2.10 0.00 0.00 70.33 65.35 2cup n THR 61 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2cup n THR 62 N -5.02 1.12 -1.82 4.28 -1.04 -0.71 -4.77 114.28 106.31 2cup n THR 62 Ca 0.38 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.05 61.69 2cup n THR 62 Cb 1.37 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.85 2cup n THR 62 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2cup s ARG 63 N -0.56 4.17 -0.05 -2.82 6.06 -1.26 -5.00 118.95 119.49 2cup s ARG 63 Ca 0.64 2.48 0.06 0.00 -2.50 0.00 0.00 55.73 56.41 2cup s ARG 63 Cb -0.91 -3.30 -0.01 0.00 0.06 0.00 0.00 34.95 30.79 2cup s ARG 63 CO 0.49 -0.72 -0.23 -1.21 -2.50 0.00 0.00 175.30 171.12 2cup s GLU 64 N 1.76 2.31 -0.80 5.12 2.02 -1.26 -5.04 118.70 122.81 2cup s GLU 64 Ca 0.74 -0.84 -0.22 0.00 0.02 0.00 0.00 54.97 54.67 2cup s GLU 64 Cb -0.45 -2.00 -0.15 0.00 0.10 0.00 0.00 34.13 31.62 2cup s GLU 64 CO 0.33 0.37 1.92 -0.25 0.02 0.00 0.00 175.26 177.65 2cup n ASP 65 N 2.93 2.56 -3.74 -0.19 8.00 -1.26 -4.80 116.55 120.05 2cup n ASP 65 Ca -0.17 -2.68 -0.10 0.00 0.71 0.00 0.00 54.79 52.55 2cup n ASP 65 Cb 0.52 -1.16 -0.06 0.00 -0.02 0.00 0.00 41.12 40.41 2cup n ASP 65 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2cup s SER 66 N 5.12 -0.09 1.13 -2.24 0.01 -1.26 -5.17 113.70 111.20 2cup s SER 66 Ca 0.58 -0.47 -0.17 0.00 1.31 0.00 0.00 55.95 57.20 2cup s SER 66 Cb 0.13 0.43 0.25 0.00 0.21 0.00 0.00 66.02 67.04 2cup s SER 66 CO 0.12 -0.82 1.10 -2.16 0.41 0.00 0.00 173.24 171.90 2cup s PRO 67 N -3.84 -0.62 0.05 12.44 0.04 -1.26 -4.96 135.00 136.85 2cup s PRO 67 Ca 0.05 0.15 -0.00 0.00 0.04 0.00 0.00 61.00 61.23 2cup s PRO 67 Cb 0.03 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.88 2cup s PRO 67 CO -0.11 -3.35 -0.03 0.15 0.04 0.00 0.00 177.00 173.69 2cup s LYS 68 N -5.23 0.59 0.45 4.56 1.02 -1.26 -3.17 119.74 116.70 2cup s LYS 68 Ca 0.69 -1.14 0.02 0.00 0.02 0.00 0.00 55.97 55.56 2cup s LYS 68 Cb -0.13 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 2cup s LYS 68 CO 0.57 -0.09 0.65 0.00 -0.92 0.00 0.00 175.35 175.56 2cup n LYS 70 N -2.03 1.81 0.05 0.00 3.00 -1.26 -3.36 118.16 116.36 2cup n LYS 70 Ca 0.03 -0.03 -0.20 0.00 -0.00 0.00 0.00 58.31 58.11 2cup n LYS 70 Cb 0.58 -1.15 -0.11 0.00 0.00 0.00 0.00 35.03 34.36 2cup n LYS 70 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2cup h GLY 71 N 1.14 0.76 0.00 3.14 0.00 -1.94 -3.38 103.07 102.80 2cup h GLY 71 Ca -0.09 -1.36 0.00 0.00 0.00 0.00 0.00 47.33 45.88 2cup h GLY 71 CO 0.00 1.20 -0.33 0.00 0.00 0.00 0.00 176.54 177.42 2cup n PHE 73 N -1.14 -2.21 -4.37 0.00 3.72 -1.21 -5.02 117.46 107.24 2cup n PHE 73 Ca 0.00 0.88 -0.25 0.00 -0.05 0.00 0.00 57.45 58.03 2cup n PHE 73 Cb 0.00 -4.78 -0.09 0.00 -0.94 0.00 0.00 39.48 33.67 2cup n PHE 73 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2cup s LYS 74 N -5.56 1.93 -0.03 -1.08 1.02 -1.26 -4.78 119.74 109.98 2cup s LYS 74 Ca 0.18 -1.50 -0.30 0.00 0.02 0.00 0.00 55.97 54.37 2cup s LYS 74 Cb -0.08 -1.99 -0.07 0.00 -0.52 0.00 0.00 37.83 35.17 2cup s LYS 74 CO 0.67 0.38 1.83 0.00 -0.92 0.00 0.00 175.35 177.30 2cup s ALA 75 N -2.13 3.53 0.35 5.17 0.00 -1.26 -1.95 121.76 125.47 2cup s ALA 75 Ca 0.28 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 53.16 2cup s ALA 75 Cb -0.07 -3.82 -0.09 0.00 0.00 0.00 0.00 23.12 19.14 2cup s ALA 75 CO 0.16 -1.59 0.78 0.42 0.00 0.00 0.00 175.76 175.52 2cup s ILE 76 N 4.55 4.63 0.07 0.00 1.01 -1.19 -4.96 121.20 125.31 2cup s ILE 76 Ca 0.82 1.02 0.09 0.00 0.00 0.00 0.00 60.65 62.58 2cup s ILE 76 Cb -0.37 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 2cup s ILE 76 CO 0.35 -0.24 -0.24 -0.69 0.00 0.00 0.00 174.94 174.13 2cup s VAL 77 N -2.05 1.96 0.08 2.92 1.01 -1.26 -4.58 120.40 118.47 2cup s VAL 77 Ca 0.55 -1.42 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 2cup s VAL 77 Cb -0.10 -1.70 -0.10 0.00 0.00 0.00 0.00 36.38 34.47 2cup s VAL 77 CO 0.18 0.21 1.41 0.00 0.00 0.00 0.00 175.10 176.89 2cup h ALA 78 N 4.56 -0.84 -0.87 5.51 0.00 -1.99 -2.11 119.26 123.51 2cup h ALA 78 Ca -0.46 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.52 2cup h ALA 78 Cb 1.16 0.83 -0.09 0.00 0.00 0.00 0.00 17.79 19.68 2cup h ALA 78 CO 0.42 -0.96 0.48 0.78 0.00 0.00 0.00 179.25 179.97 2cup h GLY 79 N -0.51 1.42 -6.97 0.00 0.00 -2.05 -3.39 103.07 91.57 2cup h GLY 79 Ca 0.01 -0.29 -0.58 0.00 0.00 0.00 0.00 47.33 46.47 2cup h GLY 79 CO -0.25 0.02 1.40 0.99 0.00 0.00 0.00 176.54 178.69 2cup s ASP 80 N -5.49 5.60 0.23 0.19 1.11 -0.79 -4.90 116.67 112.62 2cup s ASP 80 Ca -0.12 1.58 -0.28 0.00 0.18 0.00 0.00 52.55 53.90 2cup s ASP 80 Cb 0.22 -2.52 -0.16 0.00 1.07 0.00 0.00 42.92 41.53 2cup s ASP 80 CO 0.78 -1.89 0.73 0.00 1.18 0.00 0.00 175.17 175.97 2cup n GLN 81 N 8.63 0.53 -4.15 8.23 3.00 -1.26 -4.54 117.38 127.82 2cup n GLN 81 Ca 0.27 0.19 -0.14 0.00 -0.01 0.00 0.00 57.00 57.31 2cup n GLN 81 Cb 0.46 -1.35 -0.07 0.00 0.00 0.00 0.00 30.24 29.28 2cup n GLN 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2cup s ASN 82 N -0.78 0.61 -0.22 1.08 2.20 -1.26 -2.94 114.94 113.62 2cup s ASN 82 Ca 0.63 -1.40 -0.03 0.00 -0.94 0.00 0.00 52.86 51.12 2cup s ASN 82 Cb -0.85 0.53 0.07 0.00 -2.00 0.00 0.00 41.25 39.00 2cup s ASN 82 CO 0.57 -1.06 0.06 -0.69 -2.94 0.00 0.00 177.10 173.05 2cup s VAL 83 N -3.71 0.44 -0.14 3.54 1.01 0.36 -4.62 120.40 117.28 2cup s VAL 83 Ca 0.34 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 2cup s VAL 83 Cb 0.03 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 2cup s VAL 83 CO 0.17 -0.36 0.34 -0.70 0.00 0.00 0.00 175.10 174.54 2cup s GLU 84 N 1.88 4.24 -0.67 2.72 2.12 -1.26 0.14 118.70 127.86 2cup s GLU 84 Ca 0.02 0.19 0.05 0.00 0.36 0.00 0.00 54.97 55.60 2cup s GLU 84 Cb -0.17 -3.41 0.22 0.00 0.26 0.00 0.00 34.13 31.03 2cup s GLU 84 CO -0.15 0.26 0.65 0.98 -0.54 0.00 0.00 175.26 176.47 2cup n TYR 85 N 3.45 3.51 -3.72 5.30 9.36 0.35 -4.86 117.16 130.54 2cup n TYR 85 Ca -0.11 -4.21 -0.26 0.00 3.32 0.00 0.00 57.90 56.63 2cup n TYR 85 Cb 0.52 -0.60 0.03 0.00 -0.63 0.00 0.00 39.34 38.66 2cup n TYR 85 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2cup n LYS 86 N 1.31 -2.74 0.00 2.98 4.76 -1.26 -3.95 118.16 119.25 2cup n LYS 86 Ca 0.26 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 2cup n LYS 86 Cb 0.38 -4.61 0.00 0.00 -1.84 0.00 0.00 35.03 28.97 2cup n LYS 86 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2cup n GLY 87 N -1.70 1.83 3.71 0.72 0.00 -1.26 -5.07 105.19 103.42 2cup n GLY 87 Ca -0.20 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2cup n GLY 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cup s THR 88 N 0.00 4.58 -0.12 2.61 -4.23 -1.25 -5.01 115.64 112.21 2cup s THR 88 Ca 0.00 1.85 0.02 0.00 -1.18 0.00 0.00 61.69 62.38 2cup s THR 88 Cb 0.00 -4.19 -0.01 0.00 1.34 0.00 0.00 72.50 69.65 2cup s THR 88 CO 0.00 0.13 -0.18 0.54 -0.54 0.00 0.00 174.62 174.57 2cup s VAL 89 N 1.13 2.57 0.08 2.29 0.11 -1.26 -0.50 120.40 124.81 2cup s VAL 89 Ca 0.54 -0.83 0.05 0.00 -2.93 0.00 0.00 61.98 58.81 2cup s VAL 89 Cb -0.24 -2.04 -0.04 0.00 -1.53 0.00 0.00 36.38 32.53 2cup s VAL 89 CO 0.28 0.54 -0.04 0.26 -3.33 0.00 0.00 175.10 172.81 2cup s TRP 90 N 0.40 2.91 0.44 1.54 0.52 0.37 -4.02 118.94 121.11 2cup s TRP 90 Ca -0.14 -0.06 -0.25 0.00 0.02 0.00 0.00 56.10 55.68 2cup s TRP 90 Cb -0.17 -1.53 -0.09 0.00 -1.15 0.00 0.00 33.47 30.53 2cup s TRP 90 CO 0.06 0.45 1.25 0.72 0.02 0.00 0.00 176.95 179.45 2cup n HIS 91 N 0.80 2.03 -0.40 -1.98 8.25 -1.26 0.13 115.22 122.79 2cup n HIS 91 Ca -0.12 0.49 0.38 0.00 -0.26 0.00 0.00 57.72 58.21 2cup n HIS 91 Cb 0.52 -2.36 0.74 0.00 1.12 0.00 0.00 29.99 30.02 2cup n HIS 91 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2cup h LYS 92 N 1.90 0.04 0.11 -0.41 1.63 -1.79 0.30 116.57 118.36 2cup h LYS 92 Ca -0.48 -0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.11 2cup h LYS 92 Cb 1.30 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.93 2cup h LYS 92 CO 0.59 0.03 -1.02 0.38 -3.45 0.00 0.00 179.45 175.98 2cup h ASP 93 N 0.04 0.37 -0.87 4.20 2.03 -1.87 -3.34 116.42 116.97 2cup h ASP 93 Ca 0.65 -0.89 0.00 0.00 -0.73 0.00 0.00 57.03 56.07 2cup h ASP 93 Cb 2.51 -0.12 -0.04 0.00 -0.83 0.00 0.00 39.33 40.85 2cup h ASP 93 CO -0.06 1.46 0.56 0.00 -1.03 0.00 0.00 179.24 180.17 2cup s PHE 95 N -5.95 2.83 -0.32 0.00 2.19 0.72 -4.80 117.98 112.66 2cup s PHE 95 Ca -0.12 -0.99 0.12 0.00 0.33 0.00 0.00 56.93 56.27 2cup s PHE 95 Cb 0.18 -4.41 0.47 0.00 -1.31 0.00 0.00 43.02 37.94 2cup s PHE 95 CO 0.80 -1.67 1.12 0.45 1.83 0.00 0.00 175.22 177.76 2cup n SER 96 N 7.54 3.60 0.00 6.13 2.88 -1.26 -4.86 113.62 127.65 2cup n SER 96 Ca 0.19 -3.17 0.00 0.00 -1.33 0.00 0.00 58.87 54.56 2cup n SER 96 Cb 0.49 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 2cup n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cup n GLY 97 N -0.56 -1.14 3.75 0.46 0.00 -1.26 -5.00 105.19 101.44 2cup n GLY 97 Ca 0.29 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 2cup n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cup s PRO 98 N 0.00 1.81 -0.45 1.61 0.04 -1.26 -4.94 135.00 131.81 2cup s PRO 98 Ca 0.00 1.02 -0.02 0.00 0.04 0.00 0.00 61.00 62.04 2cup s PRO 98 Cb 0.00 -1.86 0.23 0.00 0.04 0.00 0.00 34.50 32.92 2cup s PRO 98 CO 0.00 -1.91 2.20 0.45 0.04 0.00 0.00 177.00 177.78 2cup n SER 99 N -3.69 6.79 -4.47 6.66 2.88 -1.26 -4.82 113.62 115.71 2cup n SER 99 Ca 0.08 -3.29 -0.40 0.00 -1.33 0.00 0.00 58.87 53.93 2cup n SER 99 Cb 0.54 -1.08 -0.08 0.00 -0.75 0.00 0.00 64.21 62.84 2cup n SER 99 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cup n SER 100 N 0.16 -1.43 0.00 -3.46 3.41 -1.26 -5.28 113.62 105.76 2cup n SER 100 Ca 0.43 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 2cup n SER 100 Cb 0.57 -1.72 0.00 0.00 -0.26 0.00 0.00 64.21 62.80 2cup n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49