#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cup n SER 2 N 0.00 -0.94 -4.39 1.61 3.41 -1.26 -4.63 113.62 107.43 2cup n SER 2 Ca 0.00 -1.11 -0.57 0.00 -0.26 0.00 0.00 58.87 56.92 2cup n SER 2 Cb 0.00 -1.41 -0.10 0.00 -0.26 0.00 0.00 64.21 62.44 2cup n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cup n SER 3 N -2.20 1.38 -4.40 4.04 2.88 -1.26 -4.83 113.62 109.23 2cup n SER 3 Ca -0.00 0.66 -0.44 0.00 -1.33 0.00 0.00 58.87 57.76 2cup n SER 3 Cb 0.46 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 2cup n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cup n GLY 4 N 6.65 3.64 3.77 0.46 0.00 -1.26 -5.01 105.19 113.44 2cup n GLY 4 Ca 0.46 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 2cup n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cup s SER 5 N 2.36 6.46 0.20 1.61 0.01 -1.26 -4.92 113.70 118.16 2cup s SER 5 Ca 0.40 2.24 -0.14 0.00 1.31 0.00 0.00 55.95 59.77 2cup s SER 5 Cb -0.03 -2.60 0.23 0.00 0.21 0.00 0.00 66.02 63.83 2cup s SER 5 CO -0.01 -0.71 1.31 -1.20 0.41 0.00 0.00 173.24 173.04 2cup n SER 6 N -0.18 -0.51 -0.06 2.44 7.64 -1.26 -4.71 113.62 116.98 2cup n SER 6 Ca 0.06 1.47 0.00 0.00 1.01 0.00 0.00 58.87 61.41 2cup n SER 6 Cb 0.48 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2cup n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cup n GLY 7 N -1.42 -1.12 3.85 0.23 0.00 -1.26 -4.91 105.19 100.56 2cup n GLY 7 Ca 0.09 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.11 0.00 0.24 -1.09 -2.44 118.33 116.37 2cup n VAL 9 Ca -0.12 -0.31 -0.16 0.00 -2.04 0.00 0.00 64.34 61.71 2cup n VAL 9 Cb 0.52 0.88 -0.06 0.00 -1.47 0.00 0.00 33.84 33.72 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 0.41 0.55 -0.19 7.34 0.00 -1.26 -4.56 120.64 122.93 2cup n GLU 10 Ca 0.15 0.27 0.11 0.00 0.00 0.00 0.00 57.16 57.70 2cup n GLU 10 Cb 0.44 -1.48 0.25 0.00 0.00 0.00 0.00 31.44 30.65 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 1.28 -2.10 -4.16 0.00 3.00 -1.02 -4.91 116.66 108.75 2cup n ARG 12 Ca 0.19 0.42 -0.26 0.00 -0.01 0.00 0.00 57.85 58.19 2cup n ARG 12 Cb 0.55 -4.87 -0.07 0.00 0.00 0.00 0.00 32.46 28.07 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 -4.33 2.57 0.31 5.56 1.02 -1.25 -4.83 119.74 118.79 2cup s LYS 13 Ca 0.00 -1.02 -0.29 0.00 0.02 0.00 0.00 55.97 54.68 2cup s LYS 13 Cb 0.00 -2.46 -0.10 0.00 -0.52 0.00 0.00 37.83 34.75 2cup s LYS 13 CO 0.00 0.47 1.23 -1.25 -0.92 0.00 0.00 175.35 174.88 2cup s PRO 14 N -2.99 4.46 -0.12 -1.68 0.04 -1.26 -0.48 135.00 132.97 2cup s PRO 14 Ca 0.29 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.29 2cup s PRO 14 Cb -0.10 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 2cup s PRO 14 CO 0.20 -0.04 0.17 0.42 0.04 0.00 0.00 177.00 177.79 2cup s ILE 15 N -1.08 5.43 0.69 0.56 1.01 -1.26 -4.86 121.20 121.70 2cup s ILE 15 Ca 0.48 0.29 -0.16 0.00 0.00 0.00 0.00 60.65 61.25 2cup s ILE 15 Cb -0.37 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 38.67 2cup s ILE 15 CO 0.48 0.58 1.22 -0.83 0.00 0.00 0.00 174.94 176.38 2cup s GLY 16 N -0.74 2.50 0.48 6.18 0.00 -1.26 -4.09 107.32 110.39 2cup s GLY 16 Ca 0.15 0.96 0.28 0.00 0.00 0.00 0.00 44.72 46.10 2cup s GLY 16 CO 0.04 1.36 1.85 0.00 0.00 0.00 0.00 173.10 176.35 2cup h ALA 17 N 0.05 0.99 -0.22 3.20 0.00 -2.00 -2.92 119.26 118.37 2cup h ALA 17 Ca -0.49 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2cup h ALA 17 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2cup h ALA 17 CO 0.51 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 2cup n ASP 18 N -3.22 2.87 -4.79 0.00 5.68 -1.26 -5.00 116.55 110.83 2cup n ASP 18 Ca 0.01 -2.30 -0.38 0.00 -0.50 0.00 0.00 54.79 51.62 2cup n ASP 18 Cb 0.40 -0.26 -0.06 0.00 -1.14 0.00 0.00 41.12 40.06 2cup n ASP 18 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2cup s SER 19 N -1.35 6.77 -0.47 -1.12 0.01 -1.10 -5.00 113.70 111.43 2cup s SER 19 Ca 0.23 0.91 -0.27 0.00 1.31 0.00 0.00 55.95 58.13 2cup s SER 19 Cb 0.15 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 2cup s SER 19 CO 0.10 0.21 2.09 -1.59 0.41 0.00 0.00 173.24 174.46 2cup s LYS 20 N -0.49 2.61 0.34 12.44 0.00 -1.26 -4.82 119.74 128.56 2cup s LYS 20 Ca 0.24 1.21 0.08 0.00 0.00 0.00 0.00 55.97 57.50 2cup s LYS 20 Cb -0.16 -4.43 -0.04 0.00 0.00 0.00 0.00 37.83 33.20 2cup s LYS 20 CO 0.12 -2.71 0.11 -1.83 0.00 0.00 0.00 175.35 171.04 2cup s GLU 21 N 7.17 2.30 -0.30 1.78 4.04 -1.26 -3.24 118.70 129.19 2cup s GLU 21 Ca 0.84 -1.60 0.03 0.00 0.04 0.00 0.00 54.97 54.29 2cup s GLU 21 Cb -0.18 -2.11 0.08 0.00 0.02 0.00 0.00 34.13 31.94 2cup s GLU 21 CO 0.26 0.12 -0.02 0.08 -1.84 0.00 0.00 175.26 173.86 2cup s VAL 22 N -2.45 2.24 -0.29 1.83 1.01 -0.79 -4.95 120.40 116.99 2cup s VAL 22 Ca 0.37 -2.01 -0.18 0.00 0.00 0.00 0.00 61.98 60.16 2cup s VAL 22 Cb -0.02 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 2cup s VAL 22 CO 0.22 -0.33 0.53 -2.28 0.00 0.00 0.00 175.10 173.24 2cup s HIS 23 N 1.00 3.23 -0.19 5.22 5.04 -1.26 -2.24 115.29 126.09 2cup s HIS 23 Ca 0.01 0.50 -0.08 0.00 -1.54 0.00 0.00 55.06 53.95 2cup s HIS 23 Cb -0.19 -2.82 0.07 0.00 0.04 0.00 0.00 32.58 29.68 2cup s HIS 23 CO -0.07 -0.39 0.43 -0.47 -2.34 0.00 0.00 174.74 171.91 2cup s TYR 24 N 2.39 -0.72 -1.25 3.88 5.04 -1.15 -4.91 117.35 120.63 2cup s TYR 24 Ca 0.21 1.44 -0.05 0.00 -2.44 0.00 0.00 57.07 56.24 2cup s TYR 24 Cb -0.15 0.30 0.01 0.00 0.35 0.00 0.00 41.96 42.46 2cup s TYR 24 CO 0.11 -0.42 1.07 1.63 -1.34 0.00 0.00 175.55 176.60 2cup n LYS 25 N 4.80 -7.16 -3.10 4.97 4.76 -1.26 -2.10 118.16 119.07 2cup n LYS 25 Ca -0.16 0.82 -0.22 0.00 -2.87 0.00 0.00 58.31 55.88 2cup n LYS 25 Cb 0.53 -5.78 0.04 0.00 -1.84 0.00 0.00 35.03 27.98 2cup n LYS 25 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2cup n ASN 26 N -2.97 -6.01 -3.72 4.39 5.15 -1.26 -4.99 115.26 105.84 2cup n ASN 26 Ca -0.13 -0.33 -0.23 0.00 -0.60 0.00 0.00 54.58 53.29 2cup n ASN 26 Cb 0.61 -4.79 -0.06 0.00 -0.53 0.00 0.00 39.78 35.01 2cup n ASN 26 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2cup n ARG 27 N -4.08 0.66 -3.61 1.20 5.12 -0.89 -5.13 116.66 109.92 2cup n ARG 27 Ca -0.08 -3.11 -0.01 0.00 -1.93 0.00 0.00 57.85 52.72 2cup n ARG 27 Cb 0.60 1.55 -0.04 0.00 -1.16 0.00 0.00 32.46 33.41 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 -2.87 -1.22 -0.02 -1.55 0.08 -1.25 -2.94 117.98 108.21 2cup s PHE 28 Ca 0.16 2.14 0.07 0.00 0.12 0.00 0.00 56.93 59.41 2cup s PHE 28 Cb 0.01 0.73 -0.02 0.00 -0.57 0.00 0.00 43.02 43.17 2cup s PHE 28 CO 0.11 -0.60 -0.22 -1.58 -0.10 0.00 0.00 175.22 172.83 2cup s TRP 29 N 2.70 1.98 0.66 0.36 0.51 -0.95 -2.69 118.94 121.52 2cup s TRP 29 Ca -0.06 -0.37 -0.16 0.00 -2.12 0.00 0.00 56.10 53.39 2cup s TRP 29 Cb -0.10 -1.28 0.00 0.00 -0.81 0.00 0.00 33.47 31.28 2cup s TRP 29 CO -0.19 -0.03 1.16 -1.01 -0.51 0.00 0.00 176.95 176.37 2cup s HIS 30 N -0.52 2.38 0.04 -1.98 3.76 -1.26 -1.89 115.29 115.81 2cup s HIS 30 Ca 0.09 1.56 0.16 0.00 -0.15 0.00 0.00 55.06 56.71 2cup s HIS 30 Cb -0.09 -3.35 0.84 0.00 1.11 0.00 0.00 32.58 31.10 2cup s HIS 30 CO -0.01 -2.11 1.39 0.22 -0.85 0.00 0.00 174.74 173.39 2cup h ASP 31 N 0.19 0.00 0.00 1.40 3.58 -1.92 0.62 116.42 120.29 2cup h ASP 31 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2cup h ASP 31 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2cup h ASP 31 CO 0.53 0.00 -1.34 1.07 -2.88 0.00 0.00 179.24 176.62 2cup n THR 32 N -2.14 0.00 -0.02 2.25 5.66 -1.26 -4.60 114.28 114.17 2cup n THR 32 Ca -0.01 -0.27 -0.22 0.00 -3.05 0.00 0.00 64.05 60.50 2cup n THR 32 Cb 0.28 0.41 -0.13 0.00 -1.55 0.00 0.00 70.33 69.34 2cup n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cup s PHE 34 N -2.48 1.17 0.27 0.00 5.36 0.55 -4.87 117.98 117.98 2cup s PHE 34 Ca -0.23 0.92 -0.20 0.00 -0.96 0.00 0.00 56.93 56.46 2cup s PHE 34 Cb 0.06 -3.82 0.06 0.00 -0.34 0.00 0.00 43.02 38.98 2cup s PHE 34 CO 0.73 -3.44 0.88 -0.98 -1.46 0.00 0.00 175.22 170.95 2cup s ARG 35 N 7.03 1.73 1.01 10.12 1.70 -1.26 -3.84 118.95 135.44 2cup s ARG 35 Ca 0.98 -1.07 -0.12 0.00 -0.47 0.00 0.00 55.73 55.05 2cup s ARG 35 Cb -0.26 0.51 0.20 0.00 -0.57 0.00 0.00 34.95 34.83 2cup s ARG 35 CO 0.31 -0.81 1.08 0.00 -1.08 0.00 0.00 175.30 174.81 2cup n ALA 37 N -4.31 3.58 -0.09 0.00 0.00 -1.05 -3.48 120.51 115.16 2cup n ALA 37 Ca 0.06 -0.38 -0.18 0.00 0.00 0.00 0.00 53.44 52.93 2cup n ALA 37 Cb 0.55 -0.50 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 2cup n ALA 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2cup n LYS 38 N -1.44 0.41 -0.13 0.00 4.81 -1.26 -4.65 118.16 115.89 2cup n LYS 38 Ca 0.02 0.18 0.11 0.00 -0.87 0.00 0.00 58.31 57.74 2cup n LYS 38 Cb 0.24 -1.19 0.17 0.00 0.02 0.00 0.00 35.03 34.27 2cup n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2cup n LEU 40 N 1.30 -1.48 -4.59 0.00 4.32 -1.23 -4.90 117.00 110.42 2cup n LEU 40 Ca 0.16 -1.16 -0.35 0.00 -0.02 0.00 0.00 56.01 54.65 2cup n LEU 40 Cb 0.56 -1.86 -0.10 0.00 -1.62 0.00 0.00 43.42 40.39 2cup n LEU 40 CO 0.14 0.44 -0.27 -2.28 -1.22 0.00 0.00 177.39 174.20 2cup s HIS 41 N -4.15 3.19 0.04 -1.77 2.46 -1.26 -4.61 115.29 109.19 2cup s HIS 41 Ca 0.05 -0.04 -0.31 0.00 0.47 0.00 0.00 55.06 55.23 2cup s HIS 41 Cb -0.03 -2.07 -0.06 0.00 -0.13 0.00 0.00 32.58 30.29 2cup s HIS 41 CO 0.95 0.07 1.41 -1.25 -2.47 0.00 0.00 174.74 173.46 2cup s PRO 42 N 0.49 4.29 -0.28 2.88 0.04 -1.26 -0.19 135.00 140.97 2cup s PRO 42 Ca 0.02 2.03 0.10 0.00 0.04 0.00 0.00 61.00 63.19 2cup s PRO 42 Cb -0.13 -3.47 0.53 0.00 0.04 0.00 0.00 34.50 31.47 2cup s PRO 42 CO 0.01 -0.54 1.50 1.28 0.04 0.00 0.00 177.00 179.29 2cup n LEU 43 N 4.91 4.30 -0.29 -3.56 7.99 -1.25 -4.69 117.00 124.42 2cup n LEU 43 Ca 0.13 -3.57 0.09 0.00 -0.01 0.00 0.00 56.01 52.65 2cup n LEU 43 Cb 0.43 -0.63 0.32 0.00 -0.11 0.00 0.00 43.42 43.43 2cup n LEU 43 CO 0.59 1.10 1.23 0.00 -1.51 0.00 0.00 177.39 178.79 2cup h ALA 44 N 1.21 1.70 -0.01 -1.18 0.00 -1.91 -2.28 119.26 116.79 2cup h ALA 44 Ca 0.20 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2cup h ALA 44 Cb 1.72 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2cup h ALA 44 CO 0.41 0.07 -0.11 0.09 0.00 0.00 0.00 179.25 179.71 2cup n ASN 45 N -4.57 1.35 -4.89 0.00 3.02 -1.26 -5.02 115.26 103.89 2cup n ASN 45 Ca 0.17 -1.17 -0.25 0.00 -0.03 0.00 0.00 54.58 53.29 2cup n ASN 45 Cb 0.40 0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.84 2cup n ASN 45 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2cup s GLU 46 N -1.04 2.29 0.27 3.52 2.02 -0.86 -5.12 118.70 119.78 2cup s GLU 46 Ca 0.08 -1.93 -0.14 0.00 0.02 0.00 0.00 54.97 53.00 2cup s GLU 46 Cb 0.07 -2.13 -0.08 0.00 0.10 0.00 0.00 34.13 32.09 2cup s GLU 46 CO 0.17 -0.52 0.66 0.99 0.02 0.00 0.00 175.26 176.59 2cup s THR 47 N -2.72 4.76 0.11 3.63 2.01 -1.26 -4.80 115.64 117.38 2cup s THR 47 Ca 0.37 0.83 0.02 0.00 0.31 0.00 0.00 61.69 63.22 2cup s THR 47 Cb -0.02 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2cup s THR 47 CO 0.22 -0.07 -0.07 0.72 -0.69 0.00 0.00 174.62 174.73 2cup s PHE 48 N -1.84 0.97 -0.07 4.92 -0.71 -1.26 -4.36 117.98 115.62 2cup s PHE 48 Ca 0.50 -0.90 0.02 0.00 -1.04 0.00 0.00 56.93 55.51 2cup s PHE 48 Cb -0.12 -0.55 0.01 0.00 -1.21 0.00 0.00 43.02 41.16 2cup s PHE 48 CO 0.19 -0.12 -0.13 0.08 -1.34 0.00 0.00 175.22 173.91 2cup s VAL 49 N -3.58 1.21 -0.42 -2.49 1.01 0.77 -4.98 120.40 111.92 2cup s VAL 49 Ca 0.13 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 2cup s VAL 49 Cb 0.05 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.35 2cup s VAL 49 CO -0.03 0.37 0.31 0.00 0.00 0.00 0.00 175.10 175.75 2cup s ALA 50 N 0.76 3.48 -0.00 5.51 0.00 -1.26 -1.53 121.76 128.71 2cup s ALA 50 Ca -0.13 -1.77 0.01 0.00 0.00 0.00 0.00 51.96 50.07 2cup s ALA 50 Cb -0.16 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2cup s ALA 50 CO 0.03 -1.49 -0.02 0.15 0.00 0.00 0.00 175.76 174.43 2cup s LYS 51 N 1.67 0.20 -1.47 0.00 1.02 -0.96 -4.85 119.74 115.35 2cup s LYS 51 Ca 0.05 -0.06 -0.10 0.00 0.02 0.00 0.00 55.97 55.87 2cup s LYS 51 Cb -0.20 -0.21 0.06 0.00 -0.52 0.00 0.00 37.83 36.96 2cup s LYS 51 CO 0.09 0.03 0.93 -0.25 -0.92 0.00 0.00 175.35 175.23 2cup n ASP 52 N 3.15 -4.00 -3.68 2.83 9.92 -1.26 -0.99 116.55 122.51 2cup n ASP 52 Ca -0.14 -0.78 -0.28 0.00 -0.53 0.00 0.00 54.79 53.06 2cup n ASP 52 Cb 0.58 -4.00 0.01 0.00 -0.64 0.00 0.00 41.12 37.07 2cup n ASP 52 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2cup n ASN 53 N -2.90 -4.27 -3.76 -2.24 4.13 -1.26 -4.95 115.26 100.00 2cup n ASN 53 Ca -0.04 -0.63 -0.15 0.00 1.68 0.00 0.00 54.58 55.44 2cup n ASN 53 Cb 0.57 -3.47 -0.15 0.00 -1.54 0.00 0.00 39.78 35.18 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 -6.37 0.01 -0.11 3.52 -0.14 -0.16 -5.13 119.74 111.36 2cup s LYS 54 Ca 0.55 0.26 -0.30 0.00 -1.36 0.00 0.00 55.97 55.13 2cup s LYS 54 Cb -0.28 -0.23 -0.01 0.00 -1.68 0.00 0.00 37.83 35.63 2cup s LYS 54 CO 0.68 -0.17 1.02 0.42 -0.76 0.00 0.00 175.35 176.54 2cup s ILE 55 N 1.13 4.75 0.06 2.17 -1.09 -1.26 -2.27 121.20 124.68 2cup s ILE 55 Ca -0.09 2.02 0.00 0.00 -2.23 0.00 0.00 60.65 60.35 2cup s ILE 55 Cb -0.12 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.42 2cup s ILE 55 CO -0.04 -0.00 -0.05 -0.76 -1.23 0.00 0.00 174.94 172.86 2cup s LEU 56 N 2.07 2.41 0.38 2.97 1.43 -0.58 -2.53 118.68 124.84 2cup s LEU 56 Ca 0.49 -0.84 0.05 0.00 -1.03 0.00 0.00 54.13 52.80 2cup s LEU 56 Cb -0.19 0.05 -0.00 0.00 0.03 0.00 0.00 46.19 46.08 2cup s LEU 56 CO 0.18 -0.44 0.55 0.00 0.23 0.00 0.00 176.35 176.86 2cup h ASN 58 N 0.70 0.63 -0.31 0.00 4.21 -1.94 -0.51 115.58 118.36 2cup h ASN 58 Ca -0.45 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.09 2cup h ASN 58 Cb 1.26 -0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 38.30 2cup h ASN 58 CO 0.53 0.40 0.13 0.50 -1.29 0.00 0.00 177.43 177.71 2cup h LYS 59 N 0.71 0.28 0.34 0.81 3.64 -1.94 -2.28 116.57 118.13 2cup h LYS 59 Ca 0.31 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 2cup h LYS 59 Cb 0.29 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2cup h LYS 59 CO -0.10 0.18 -0.17 0.00 -2.27 0.00 0.00 179.45 177.10 2cup n THR 61 N -5.10 -0.37 -2.57 0.00 -2.24 -0.27 -3.68 114.28 100.06 2cup n THR 61 Ca -0.08 2.01 -0.42 0.00 -2.27 0.00 0.00 64.05 63.29 2cup n THR 61 Cb 0.25 -2.84 -0.03 0.00 -2.10 0.00 0.00 70.33 65.62 2cup n THR 61 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2cup s THR 62 N -6.01 3.95 -1.07 4.28 -4.23 -0.86 -4.95 115.64 106.74 2cup s THR 62 Ca -0.13 0.80 -0.17 0.00 -1.18 0.00 0.00 61.69 61.01 2cup s THR 62 Cb 0.25 -4.76 0.14 0.00 1.34 0.00 0.00 72.50 69.47 2cup s THR 62 CO 0.69 -1.44 1.30 -0.60 -0.54 0.00 0.00 174.62 174.04 2cup s ARG 63 N 5.14 3.82 -0.28 3.99 3.00 -1.24 -4.73 118.95 128.65 2cup s ARG 63 Ca 0.42 -2.07 0.17 0.00 -1.00 0.00 0.00 55.73 53.24 2cup s ARG 63 Cb -0.08 -5.04 0.49 0.00 0.00 0.00 0.00 34.95 30.33 2cup s ARG 63 CO 0.23 -1.82 1.13 -1.91 0.00 0.00 0.00 175.30 172.93 2cup n GLU 64 N 6.42 2.42 -3.77 5.12 2.13 -1.26 -4.97 120.64 126.73 2cup n GLU 64 Ca 0.31 -3.76 -0.32 0.00 0.66 0.00 0.00 57.16 54.05 2cup n GLU 64 Cb 0.46 -1.85 -0.09 0.00 0.27 0.00 0.00 31.44 30.23 2cup n GLU 64 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2cup s ASP 65 N -3.71 5.37 0.25 4.31 1.01 -1.26 -5.08 116.67 117.56 2cup s ASP 65 Ca 0.36 -3.68 -0.27 0.00 0.71 0.00 0.00 52.55 49.67 2cup s ASP 65 Cb 0.36 -1.78 -0.16 0.00 1.01 0.00 0.00 42.92 42.35 2cup s ASP 65 CO -0.01 -0.16 0.57 -1.20 0.21 0.00 0.00 175.17 174.58 2cup n SER 66 N 2.30 -0.92 -4.69 0.27 7.64 -1.26 -4.92 113.62 112.04 2cup n SER 66 Ca 0.19 1.10 -0.29 0.00 1.01 0.00 0.00 58.87 60.88 2cup n SER 66 Cb 0.36 -1.01 0.17 0.00 -1.01 0.00 0.00 64.21 62.71 2cup n SER 66 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2cup s PRO 67 N -1.13 0.62 0.17 1.43 0.04 -1.26 -4.96 135.00 129.90 2cup s PRO 67 Ca 0.63 0.59 0.05 0.00 0.04 0.00 0.00 61.00 62.31 2cup s PRO 67 Cb -0.85 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 2cup s PRO 67 CO 0.57 -2.62 -0.10 -1.59 0.04 0.00 0.00 177.00 173.31 2cup s LYS 68 N -4.95 1.14 0.31 4.56 -2.85 -1.26 -3.07 119.74 113.61 2cup s LYS 68 Ca 0.65 -1.50 0.06 0.00 -1.00 0.00 0.00 55.97 54.18 2cup s LYS 68 Cb -0.18 -0.70 -0.01 0.00 -2.06 0.00 0.00 37.83 34.87 2cup s LYS 68 CO 0.57 0.07 0.44 0.00 0.10 0.00 0.00 175.35 176.54 2cup n LYS 70 N -1.58 0.57 0.06 0.00 0.00 -1.26 -3.55 118.16 112.40 2cup n LYS 70 Ca -0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 58.31 58.15 2cup n LYS 70 Cb 0.58 -1.03 -0.02 0.00 0.00 0.00 0.00 35.03 34.56 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 0.24 0.46 0.00 3.14 0.00 -1.92 -3.38 103.07 101.61 2cup h GLY 71 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.58 2cup h GLY 71 CO 0.00 0.66 -0.23 0.00 0.00 0.00 0.00 176.54 176.97 2cup n PHE 73 N -0.73 -1.78 -4.21 0.00 3.01 -1.23 -5.04 117.46 107.47 2cup n PHE 73 Ca 0.00 0.69 -0.19 0.00 1.01 0.00 0.00 57.45 58.96 2cup n PHE 73 Cb 0.00 -4.07 -0.12 0.00 -0.01 0.00 0.00 39.48 35.29 2cup n PHE 73 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2cup s LYS 74 N -4.57 0.92 0.07 -1.08 1.02 -1.26 -4.88 119.74 109.97 2cup s LYS 74 Ca 0.17 -1.07 -0.30 0.00 0.02 0.00 0.00 55.97 54.79 2cup s LYS 74 Cb -0.02 -0.93 -0.09 0.00 -0.52 0.00 0.00 37.83 36.26 2cup s LYS 74 CO 0.56 0.20 1.86 0.00 -0.92 0.00 0.00 175.35 177.05 2cup s ALA 75 N -1.51 3.67 0.08 5.17 0.00 -1.26 -2.49 121.76 125.43 2cup s ALA 75 Ca 0.02 1.34 -0.18 0.00 0.00 0.00 0.00 51.96 53.15 2cup s ALA 75 Cb -0.09 -3.79 -0.07 0.00 0.00 0.00 0.00 23.12 19.18 2cup s ALA 75 CO 0.03 -1.37 0.55 0.42 0.00 0.00 0.00 175.76 175.39 2cup s ILE 76 N 3.52 4.79 0.01 0.00 1.01 -1.18 -4.97 121.20 124.39 2cup s ILE 76 Ca 0.83 1.10 0.00 0.00 0.00 0.00 0.00 60.65 62.58 2cup s ILE 76 Cb -0.43 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 2cup s ILE 76 CO 0.38 0.49 0.08 -0.69 0.00 0.00 0.00 174.94 175.20 2cup s VAL 77 N -1.18 4.70 0.30 2.92 1.01 -1.26 -4.55 120.40 122.34 2cup s VAL 77 Ca 0.30 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2cup s VAL 77 Cb -0.18 -3.17 0.18 0.00 0.00 0.00 0.00 36.38 33.20 2cup s VAL 77 CO 0.18 0.30 1.87 0.00 0.00 0.00 0.00 175.10 177.45 2cup h ALA 78 N 3.91 1.30 -0.21 5.51 0.00 -2.00 -2.64 119.26 125.14 2cup h ALA 78 Ca -0.48 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.12 2cup h ALA 78 Cb 1.18 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 2cup h ALA 78 CO 0.63 0.50 0.17 0.41 0.00 0.00 0.00 179.25 180.96 2cup n GLY 79 N -0.97 2.93 2.95 0.00 0.00 -1.26 -4.77 105.19 104.08 2cup n GLY 79 Ca 0.04 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 2cup n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cup s ASP 80 N 0.92 -0.14 0.04 1.61 1.01 -1.00 -5.12 116.67 113.99 2cup s ASP 80 Ca 0.13 0.35 -0.36 0.00 0.71 0.00 0.00 52.55 53.38 2cup s ASP 80 Cb 0.10 0.24 -0.15 0.00 1.01 0.00 0.00 42.92 44.12 2cup s ASP 80 CO 0.01 -0.15 1.53 0.00 0.21 0.00 0.00 175.17 176.77 2cup n GLN 81 N 4.20 1.57 -4.08 8.23 3.00 -1.26 -4.82 117.38 124.23 2cup n GLN 81 Ca -0.26 0.57 -0.08 0.00 -0.01 0.00 0.00 57.00 57.22 2cup n GLN 81 Cb 0.52 -2.28 -0.10 0.00 0.00 0.00 0.00 30.24 28.38 2cup n GLN 81 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2cup s ASN 82 N 1.44 0.38 -0.27 1.08 0.01 -1.26 -2.83 114.94 113.49 2cup s ASN 82 Ca 0.86 -1.02 0.02 0.00 -0.71 0.00 0.00 52.86 52.01 2cup s ASN 82 Cb -0.86 0.25 0.07 0.00 0.41 0.00 0.00 41.25 41.13 2cup s ASN 82 CO 0.47 -0.66 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.65 2cup s VAL 83 N -3.95 1.99 -0.21 1.60 1.01 0.10 -4.73 120.40 116.21 2cup s VAL 83 Ca 0.12 -1.65 -0.17 0.00 0.00 0.00 0.00 61.98 60.28 2cup s VAL 83 Cb 0.07 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2cup s VAL 83 CO -0.06 -0.17 0.46 -0.70 0.00 0.00 0.00 175.10 174.63 2cup s GLU 84 N 1.15 4.16 -0.09 2.72 2.12 -1.26 0.11 118.70 127.61 2cup s GLU 84 Ca -0.04 0.30 -0.04 0.00 0.36 0.00 0.00 54.97 55.54 2cup s GLU 84 Cb -0.19 -3.57 0.05 0.00 0.26 0.00 0.00 34.13 30.67 2cup s GLU 84 CO -0.06 -0.13 0.20 -0.47 -0.54 0.00 0.00 175.26 174.25 2cup s TYR 85 N 1.59 -0.25 -1.59 5.30 6.14 0.98 -4.88 117.35 124.64 2cup s TYR 85 Ca 0.21 0.66 -0.15 0.00 0.64 0.00 0.00 57.07 58.43 2cup s TYR 85 Cb -0.15 -0.05 0.11 0.00 0.42 0.00 0.00 41.96 42.29 2cup s TYR 85 CO 0.09 -0.22 0.91 1.17 0.64 0.00 0.00 175.55 178.14 2cup n LYS 86 N 4.45 -4.69 0.00 4.97 4.81 -1.26 -1.47 118.16 124.97 2cup n LYS 86 Ca -0.22 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 2cup n LYS 86 Cb 0.52 -5.34 0.00 0.00 0.02 0.00 0.00 35.03 30.23 2cup n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cup n GLY 87 N -1.60 2.16 3.71 3.14 0.00 -1.26 -4.98 105.19 106.37 2cup n GLY 87 Ca 0.05 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.06 4.56 -0.19 2.61 -4.23 -0.54 -5.01 115.64 112.78 2cup s THR 88 Ca 0.00 1.84 -0.03 0.00 -1.18 0.00 0.00 61.69 62.32 2cup s THR 88 Cb 0.00 -4.18 -0.01 0.00 1.34 0.00 0.00 72.50 69.65 2cup s THR 88 CO 0.00 0.14 -0.06 0.54 -0.54 0.00 0.00 174.62 174.70 2cup s VAL 89 N 1.03 3.40 -0.07 2.29 0.11 -1.26 -0.01 120.40 125.89 2cup s VAL 89 Ca 0.54 -0.51 -0.03 0.00 -2.93 0.00 0.00 61.98 59.06 2cup s VAL 89 Cb -0.24 -2.51 -0.04 0.00 -1.53 0.00 0.00 36.38 32.07 2cup s VAL 89 CO 0.28 0.46 0.06 0.26 -3.33 0.00 0.00 175.10 172.83 2cup s TRP 90 N 0.99 3.30 0.22 1.54 0.52 0.30 -4.30 118.94 121.51 2cup s TRP 90 Ca -0.00 0.28 -0.32 0.00 0.02 0.00 0.00 56.10 56.08 2cup s TRP 90 Cb -0.15 -1.81 -0.14 0.00 -1.15 0.00 0.00 33.47 30.23 2cup s TRP 90 CO 0.00 0.56 1.35 0.72 0.02 0.00 0.00 176.95 179.60 2cup n HIS 91 N 1.79 1.96 -0.40 -1.98 8.25 -1.26 0.01 115.22 123.59 2cup n HIS 91 Ca -0.17 0.49 0.32 0.00 -0.26 0.00 0.00 57.72 58.09 2cup n HIS 91 Cb 0.54 -2.42 0.51 0.00 1.12 0.00 0.00 29.99 29.74 2cup n HIS 91 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2cup n LYS 92 N 2.00 -0.02 0.01 -0.41 3.00 -1.13 0.24 118.16 121.85 2cup n LYS 92 Ca 0.13 0.83 -0.20 0.00 -0.00 0.00 0.00 58.31 59.07 2cup n LYS 92 Cb 0.30 -1.74 -0.14 0.00 0.00 0.00 0.00 35.03 33.45 2cup n LYS 92 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2cup h ASP 93 N 0.00 0.34 -0.38 3.14 3.04 -1.87 -3.34 116.42 117.36 2cup h ASP 93 Ca 0.63 -0.88 -0.01 0.00 -3.24 0.00 0.00 57.03 53.53 2cup h ASP 93 Cb 2.25 -0.11 -0.02 0.00 -1.04 0.00 0.00 39.33 40.41 2cup h ASP 93 CO -0.20 1.45 0.21 0.00 -2.04 0.00 0.00 179.24 178.66 2cup s PHE 95 N -5.37 3.32 -0.06 0.00 5.36 0.92 -4.88 117.98 117.28 2cup s PHE 95 Ca -0.08 1.43 -0.05 0.00 -0.96 0.00 0.00 56.93 57.27 2cup s PHE 95 Cb 0.17 -3.29 -0.03 0.00 -0.34 0.00 0.00 43.02 39.54 2cup s PHE 95 CO 0.74 -0.63 0.23 0.66 -1.46 0.00 0.00 175.22 174.77 2cup h SER 96 N 7.43 -0.14 -2.62 6.13 4.64 -1.86 -3.46 113.55 123.66 2cup h SER 96 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2cup h SER 96 Cb 1.10 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2cup h SER 96 CO 0.93 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 177.72 2cup n GLY 97 N 1.30 3.46 3.59 -0.77 0.00 -1.26 -5.01 105.19 106.50 2cup n GLY 97 Ca -0.02 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -4.48 3.25 -0.67 1.61 0.04 -1.26 -4.96 135.00 128.54 2cup s PRO 98 Ca 0.00 1.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.06 2cup s PRO 98 Cb 0.00 -4.20 0.16 0.00 0.04 0.00 0.00 34.50 30.50 2cup s PRO 98 CO 0.00 -1.97 0.64 0.45 0.04 0.00 0.00 177.00 176.16 2cup s SER 99 N 6.05 6.43 -0.22 6.66 0.15 -1.26 -5.01 113.70 126.50 2cup s SER 99 Ca 0.74 -2.12 0.01 0.00 0.70 0.00 0.00 55.95 55.28 2cup s SER 99 Cb -0.19 -2.22 0.05 0.00 -1.71 0.00 0.00 66.02 61.95 2cup s SER 99 CO 0.31 -0.78 -0.09 -0.44 1.20 0.00 0.00 173.24 173.44 2cup s SER 100 N 3.04 3.67 0.00 5.45 0.01 -1.26 -5.33 113.70 119.29 2cup s SER 100 Ca 0.10 -1.04 0.11 0.00 1.31 0.00 0.00 55.95 56.44 2cup s SER 100 Cb -0.21 -1.26 0.09 0.00 0.21 0.00 0.00 66.02 64.85 2cup s SER 100 CO -0.02 -0.18 0.85 0.61 0.41 0.00 0.00 173.24 174.92