#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 5.75 -4.74 1.61 2.88 -1.26 -4.94 113.62 112.93 2cup n SER 2 Ca 0.00 -2.77 -0.41 0.00 -1.33 0.00 0.00 58.87 54.36 2cup n SER 2 Cb 0.00 -1.31 -0.04 0.00 -0.75 0.00 0.00 64.21 62.11 2cup n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cup s SER 3 N 1.31 7.13 0.00 -3.46 0.01 -1.26 -4.62 113.70 112.81 2cup s SER 3 Ca 0.58 2.24 0.00 0.00 1.31 0.00 0.00 55.95 60.07 2cup s SER 3 Cb 0.32 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2cup s SER 3 CO -0.08 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2cup n GLY 4 N 1.97 -1.09 3.27 3.44 0.00 -1.26 -5.15 105.19 106.37 2cup n GLY 4 Ca 0.03 0.46 -0.34 0.00 0.00 0.00 0.00 46.02 46.17 2cup n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cup n SER 5 N 0.00 -3.46 -4.59 1.61 3.41 -1.26 -4.78 113.62 104.55 2cup n SER 5 Ca 0.00 0.29 -0.42 0.00 -0.26 0.00 0.00 58.87 58.48 2cup n SER 5 Cb 0.00 -1.05 -0.03 0.00 -0.26 0.00 0.00 64.21 62.88 2cup n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cup s SER 6 N -1.64 5.80 0.51 4.04 0.01 -1.26 -4.97 113.70 116.19 2cup s SER 6 Ca 0.51 1.14 0.06 0.00 1.31 0.00 0.00 55.95 58.97 2cup s SER 6 Cb -0.21 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.51 2cup s SER 6 CO 0.73 -1.81 0.35 -0.83 0.41 0.00 0.00 173.24 172.08 2cup s GLY 7 N 6.39 2.38 0.32 3.44 0.00 -1.26 -3.53 107.32 115.06 2cup s GLY 7 Ca 0.77 -1.38 -0.21 0.00 0.00 0.00 0.00 44.72 43.90 2cup s GLY 7 CO 0.32 -1.93 0.85 0.00 0.00 0.00 0.00 173.10 172.34 2cup n VAL 9 N 0.15 0.00 -0.10 0.00 3.14 -0.17 -2.52 118.33 118.84 2cup n VAL 9 Ca 0.02 -0.25 -0.14 0.00 -2.96 0.00 0.00 64.34 61.02 2cup n VAL 9 Cb 0.52 0.98 -0.05 0.00 -1.06 0.00 0.00 33.84 34.22 2cup n VAL 9 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2cup n GLU 10 N -0.02 0.53 -0.23 1.45 0.00 -1.26 -4.54 120.64 116.56 2cup n GLU 10 Ca 0.11 0.36 0.12 0.00 0.00 0.00 0.00 57.16 57.75 2cup n GLU 10 Cb 0.44 -1.56 0.24 0.00 0.00 0.00 0.00 31.44 30.56 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 1.54 -2.07 -4.02 0.00 5.12 -1.05 -4.91 116.66 111.27 2cup n ARG 12 Ca 0.21 0.42 -0.24 0.00 -1.93 0.00 0.00 57.85 56.31 2cup n ARG 12 Cb 0.61 -4.86 -0.04 0.00 -1.16 0.00 0.00 32.46 27.02 2cup n ARG 12 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2cup s LYS 13 N -4.28 3.22 0.25 5.56 -0.14 -1.25 -4.78 119.74 118.31 2cup s LYS 13 Ca 0.00 -0.80 -0.30 0.00 -1.36 0.00 0.00 55.97 53.51 2cup s LYS 13 Cb 0.00 -2.79 -0.09 0.00 -1.68 0.00 0.00 37.83 33.27 2cup s LYS 13 CO 0.00 0.46 1.27 -1.25 -0.76 0.00 0.00 175.35 175.07 2cup s PRO 14 N -3.56 4.43 -0.06 -1.68 0.04 -1.26 -0.15 135.00 132.76 2cup s PRO 14 Ca 0.33 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.39 2cup s PRO 14 Cb -0.10 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2cup s PRO 14 CO 0.27 -0.15 0.12 0.42 0.04 0.00 0.00 177.00 177.71 2cup s ILE 15 N -0.48 5.17 0.31 0.56 1.01 -1.23 -4.85 121.20 121.70 2cup s ILE 15 Ca 0.52 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 61.08 2cup s ILE 15 Cb -0.36 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 2cup s ILE 15 CO 0.43 0.47 0.50 -0.83 0.00 0.00 0.00 174.94 175.51 2cup s GLY 16 N -1.45 1.40 0.07 6.18 0.00 -1.26 -4.93 107.32 107.33 2cup s GLY 16 Ca 0.20 -0.93 -0.21 0.00 0.00 0.00 0.00 44.72 43.78 2cup s GLY 16 CO 0.10 -0.88 1.55 0.00 0.00 0.00 0.00 173.10 173.88 2cup h ALA 17 N 1.00 0.19 -0.56 3.20 0.00 -1.99 -2.87 119.26 118.23 2cup h ALA 17 Ca -0.50 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.30 2cup h ALA 17 Cb 1.22 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2cup h ALA 17 CO 0.62 -0.17 0.37 0.22 0.00 0.00 0.00 179.25 180.29 2cup h ASP 18 N 0.03 0.55 -3.09 0.00 3.58 -2.06 -3.42 116.42 112.01 2cup h ASP 18 Ca 0.04 -0.01 -0.53 0.00 0.42 0.00 0.00 57.03 56.96 2cup h ASP 18 Cb 0.26 -0.13 0.02 0.00 1.72 0.00 0.00 39.33 41.21 2cup h ASP 18 CO 0.00 0.38 0.69 -0.44 -2.88 0.00 0.00 179.24 176.99 2cup s SER 19 N -6.46 6.88 -0.60 2.28 0.01 -1.08 -4.95 113.70 109.77 2cup s SER 19 Ca -0.09 2.29 -0.28 0.00 1.31 0.00 0.00 55.95 59.18 2cup s SER 19 Cb 0.18 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.84 2cup s SER 19 CO 0.75 -0.60 1.39 -0.54 0.41 0.00 0.00 173.24 174.65 2cup s LYS 20 N 0.90 3.26 0.39 12.44 1.02 -1.26 -4.75 119.74 131.74 2cup s LYS 20 Ca 0.62 0.29 0.06 0.00 0.02 0.00 0.00 55.97 56.96 2cup s LYS 20 Cb -0.36 -4.14 0.00 0.00 -0.52 0.00 0.00 37.83 32.82 2cup s LYS 20 CO 0.31 -2.01 0.55 -1.83 -0.92 0.00 0.00 175.35 171.45 2cup s GLU 21 N 5.59 2.98 -0.27 1.68 1.03 -1.26 -3.10 118.70 125.35 2cup s GLU 21 Ca 0.48 -1.01 0.02 0.00 0.03 0.00 0.00 54.97 54.49 2cup s GLU 21 Cb -0.10 -2.75 0.07 0.00 -0.80 0.00 0.00 34.13 30.56 2cup s GLU 21 CO 0.23 -0.14 -0.03 0.08 -1.33 0.00 0.00 175.26 174.07 2cup s VAL 22 N -2.32 1.78 -0.30 1.83 1.01 -0.48 -4.95 120.40 116.98 2cup s VAL 22 Ca 0.49 -1.59 -0.19 0.00 0.00 0.00 0.00 61.98 60.69 2cup s VAL 22 Cb -0.10 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 2cup s VAL 22 CO 0.33 -0.25 0.58 -2.28 0.00 0.00 0.00 175.10 173.48 2cup s HIS 23 N 1.24 3.22 -0.18 5.22 5.04 -1.26 -1.80 115.29 126.77 2cup s HIS 23 Ca -0.01 0.55 -0.07 0.00 -1.54 0.00 0.00 55.06 53.98 2cup s HIS 23 Cb -0.19 -2.91 0.08 0.00 0.04 0.00 0.00 32.58 29.60 2cup s HIS 23 CO -0.08 -0.43 0.39 -0.47 -2.34 0.00 0.00 174.74 171.81 2cup s TYR 24 N 2.50 -0.71 -0.84 3.88 5.04 -1.06 -4.92 117.35 121.24 2cup s TYR 24 Ca 0.23 1.40 -0.02 0.00 -2.44 0.00 0.00 57.07 56.25 2cup s TYR 24 Cb -0.15 0.25 -0.02 0.00 0.35 0.00 0.00 41.96 42.39 2cup s TYR 24 CO 0.11 -0.44 0.72 1.63 -1.34 0.00 0.00 175.55 176.23 2cup n LYS 25 N 5.21 -3.67 -2.64 4.97 4.76 -1.26 -2.67 118.16 122.86 2cup n LYS 25 Ca -0.10 0.63 -0.16 0.00 -2.87 0.00 0.00 58.31 55.81 2cup n LYS 25 Cb 0.50 -4.88 -0.00 0.00 -1.84 0.00 0.00 35.03 28.81 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 -2.65 -4.23 -3.74 4.39 3.02 -1.26 -4.93 115.26 105.86 2cup n ASN 26 Ca -0.15 0.04 -0.24 0.00 -0.03 0.00 0.00 54.58 54.20 2cup n ASN 26 Cb 0.61 -3.55 -0.06 0.00 -0.61 0.00 0.00 39.78 36.16 2cup n ASN 26 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2cup n ARG 27 N -3.08 0.65 -3.64 3.52 5.12 -1.09 -5.13 116.66 113.01 2cup n ARG 27 Ca -0.13 -3.14 -0.05 0.00 -1.93 0.00 0.00 57.85 52.60 2cup n ARG 27 Cb 0.61 1.59 -0.06 0.00 -1.16 0.00 0.00 32.46 33.44 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 -2.89 -1.16 0.01 -1.55 0.40 -1.25 -2.55 117.98 108.98 2cup s PHE 28 Ca 0.16 2.19 0.07 0.00 -0.60 0.00 0.00 56.93 58.75 2cup s PHE 28 Cb 0.01 0.70 -0.02 0.00 0.51 0.00 0.00 43.02 44.21 2cup s PHE 28 CO 0.11 -0.58 -0.23 -1.58 0.70 0.00 0.00 175.22 173.65 2cup s TRP 29 N 2.12 2.03 0.97 0.36 0.51 -0.74 -1.00 118.94 123.19 2cup s TRP 29 Ca -0.08 -0.39 -0.11 0.00 -2.12 0.00 0.00 56.10 53.40 2cup s TRP 29 Cb -0.08 -1.27 0.17 0.00 -0.81 0.00 0.00 33.47 31.49 2cup s TRP 29 CO -0.19 0.02 1.10 -1.01 -0.51 0.00 0.00 176.95 176.35 2cup s HIS 30 N -0.64 1.77 -0.78 -1.98 3.76 -1.26 -1.38 115.29 114.78 2cup s HIS 30 Ca 0.09 1.49 0.11 0.00 -0.15 0.00 0.00 55.06 56.60 2cup s HIS 30 Cb -0.09 -3.21 0.52 0.00 1.11 0.00 0.00 32.58 30.91 2cup s HIS 30 CO 0.00 -2.94 1.34 -0.40 -0.85 0.00 0.00 174.74 171.90 2cup n ASP 31 N -4.30 0.19 -0.00 1.40 5.75 -1.18 -1.12 116.55 117.29 2cup n ASP 31 Ca 0.08 0.57 0.03 0.00 -0.01 0.00 0.00 54.79 55.46 2cup n ASP 31 Cb 0.53 -0.60 -0.04 0.00 -1.03 0.00 0.00 41.12 39.98 2cup n ASP 31 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2cup n THR 32 N -1.74 0.00 -0.03 2.12 -2.24 -1.26 -4.67 114.28 106.47 2cup n THR 32 Ca 0.01 -0.28 -0.22 0.00 -2.27 0.00 0.00 64.05 61.30 2cup n THR 32 Cb 0.08 0.76 -0.13 0.00 -2.10 0.00 0.00 70.33 68.94 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 -2.50 1.18 0.36 0.00 5.36 -0.28 -4.85 117.98 117.25 2cup s PHE 34 Ca -0.24 1.49 -0.14 0.00 -0.96 0.00 0.00 56.93 57.08 2cup s PHE 34 Cb 0.06 -3.64 0.04 0.00 -0.34 0.00 0.00 43.02 39.14 2cup s PHE 34 CO 0.71 -2.37 0.71 -0.98 -1.46 0.00 0.00 175.22 171.83 2cup s ARG 35 N 8.15 2.10 0.83 10.12 1.70 -1.26 -3.21 118.95 137.38 2cup s ARG 35 Ca 0.92 -1.45 -0.11 0.00 -0.47 0.00 0.00 55.73 54.62 2cup s ARG 35 Cb -0.16 0.58 0.09 0.00 -0.57 0.00 0.00 34.95 34.90 2cup s ARG 35 CO 0.22 -0.96 1.09 0.00 -1.08 0.00 0.00 175.30 174.58 2cup n ALA 37 N -3.62 3.17 -0.09 0.00 0.00 -1.14 -3.25 120.51 115.59 2cup n ALA 37 Ca 0.07 -0.44 -0.14 0.00 0.00 0.00 0.00 53.44 52.93 2cup n ALA 37 Cb 0.55 -0.45 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.51 0.40 0.00 0.00 5.02 -1.26 -4.67 118.16 117.13 2cup n LYS 38 Ca 0.04 0.12 0.06 0.00 -2.02 0.00 0.00 58.31 56.51 2cup n LYS 38 Cb 0.25 -1.26 0.02 0.00 -0.02 0.00 0.00 35.03 34.02 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 0.07 -3.06 -4.31 0.00 7.99 -1.20 -4.94 117.00 111.55 2cup n LEU 40 Ca 0.05 -0.92 -0.32 0.00 -0.01 0.00 0.00 56.01 54.81 2cup n LEU 40 Cb 0.26 -2.52 -0.16 0.00 -0.11 0.00 0.00 43.42 40.89 2cup n LEU 40 CO 0.12 0.41 -0.52 -2.28 -1.51 0.00 0.00 177.39 173.61 2cup s HIS 41 N -3.62 2.58 0.04 -1.77 2.46 -1.26 -4.71 115.29 109.02 2cup s HIS 41 Ca 0.23 -0.70 -0.31 0.00 0.47 0.00 0.00 55.06 54.76 2cup s HIS 41 Cb -0.07 -1.68 -0.07 0.00 -0.13 0.00 0.00 32.58 30.63 2cup s HIS 41 CO 0.84 -0.20 1.42 -1.25 -2.47 0.00 0.00 174.74 173.07 2cup s PRO 42 N -0.02 4.29 -0.43 2.88 0.04 -1.26 0.56 135.00 141.06 2cup s PRO 42 Ca -0.06 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.05 2cup s PRO 42 Cb -0.15 -3.47 0.55 0.00 0.04 0.00 0.00 34.50 31.47 2cup s PRO 42 CO 0.05 -0.54 1.73 1.28 0.04 0.00 0.00 177.00 179.56 2cup n LEU 43 N 4.92 5.92 -0.12 -3.56 7.99 -1.20 -4.64 117.00 126.32 2cup n LEU 43 Ca 0.13 -3.92 -0.06 0.00 -0.01 0.00 0.00 56.01 52.15 2cup n LEU 43 Cb 0.43 -0.76 0.02 0.00 -0.11 0.00 0.00 43.42 43.00 2cup n LEU 43 CO 0.59 1.31 0.97 0.00 -1.51 0.00 0.00 177.39 178.75 2cup h ALA 44 N 1.32 0.48 -0.01 -1.18 0.00 -1.92 -3.12 119.26 114.83 2cup h ALA 44 Ca 0.47 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2cup h ALA 44 Cb 1.92 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2cup h ALA 44 CO 0.94 -0.20 -0.01 0.09 0.00 0.00 0.00 179.25 180.07 2cup n ASN 45 N -4.96 1.61 -4.95 0.00 4.13 -1.26 -5.02 115.26 104.81 2cup n ASN 45 Ca 0.02 -1.30 -0.21 0.00 1.68 0.00 0.00 54.58 54.77 2cup n ASN 45 Cb 0.12 0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.39 2cup n ASN 45 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2cup s GLU 46 N -0.69 2.50 0.37 3.52 8.01 -1.18 -5.11 118.70 126.12 2cup s GLU 46 Ca 0.09 -1.58 -0.21 0.00 0.01 0.00 0.00 54.97 53.28 2cup s GLU 46 Cb 0.06 -2.48 -0.10 0.00 -4.31 0.00 0.00 34.13 27.30 2cup s GLU 46 CO 0.10 -0.45 0.89 0.99 0.01 0.00 0.00 175.26 176.81 2cup s THR 47 N -2.54 4.41 0.04 3.63 2.01 -1.26 -4.80 115.64 117.13 2cup s THR 47 Ca 0.50 1.45 -0.00 0.00 0.31 0.00 0.00 61.69 63.95 2cup s THR 47 Cb -0.05 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 2cup s THR 47 CO 0.30 -0.15 -0.03 0.72 -0.69 0.00 0.00 174.62 174.77 2cup s PHE 48 N -1.97 0.43 0.00 4.92 -0.12 -1.26 -4.33 117.98 115.64 2cup s PHE 48 Ca 0.57 -0.82 0.04 0.00 -0.05 0.00 0.00 56.93 56.66 2cup s PHE 48 Cb -0.12 -0.31 -0.01 0.00 -0.63 0.00 0.00 43.02 41.95 2cup s PHE 48 CO 0.17 -0.28 -0.12 0.08 -0.05 0.00 0.00 175.22 175.01 2cup s VAL 49 N -2.79 0.98 -0.33 -2.49 1.01 0.87 -5.00 120.40 112.64 2cup s VAL 49 Ca -0.03 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2cup s VAL 49 Cb -0.00 -0.83 0.05 0.00 0.00 0.00 0.00 36.38 35.59 2cup s VAL 49 CO -0.06 0.20 0.08 0.00 0.00 0.00 0.00 175.10 175.33 2cup s ALA 50 N -0.42 2.98 -0.01 5.51 0.00 -1.26 -1.27 121.76 127.29 2cup s ALA 50 Ca 0.04 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.19 2cup s ALA 50 Cb -0.05 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 20.90 2cup s ALA 50 CO -0.00 -1.35 0.02 0.15 0.00 0.00 0.00 175.76 174.58 2cup s LYS 51 N 1.34 -0.02 -1.30 0.00 1.02 -1.02 -4.86 119.74 114.90 2cup s LYS 51 Ca -0.02 0.11 -0.06 0.00 0.02 0.00 0.00 55.97 56.02 2cup s LYS 51 Cb -0.20 -0.15 0.01 0.00 -0.52 0.00 0.00 37.83 36.97 2cup s LYS 51 CO 0.01 -0.10 1.12 -3.47 -0.92 0.00 0.00 175.35 172.00 2cup n ASP 52 N 3.72 -4.94 -3.32 2.83 -0.08 -1.26 -1.85 116.55 111.64 2cup n ASP 52 Ca -0.21 -0.56 -0.23 0.00 -1.51 0.00 0.00 54.79 52.28 2cup n ASP 52 Cb 0.54 -5.05 -0.01 0.00 2.34 0.00 0.00 41.12 38.95 2cup n ASP 52 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2cup n ASN 53 N -3.04 -3.66 -3.76 1.67 4.13 -1.26 -4.93 115.26 104.41 2cup n ASN 53 Ca -0.09 -0.36 -0.15 0.00 1.68 0.00 0.00 54.58 55.66 2cup n ASN 53 Cb 0.60 -3.04 -0.16 0.00 -1.54 0.00 0.00 39.78 35.64 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 -5.97 -0.03 0.13 3.52 -0.14 -0.77 -5.14 119.74 111.35 2cup s LYS 54 Ca 0.38 0.23 -0.30 0.00 -1.36 0.00 0.00 55.97 54.92 2cup s LYS 54 Cb -0.20 -0.26 -0.07 0.00 -1.68 0.00 0.00 37.83 35.62 2cup s LYS 54 CO 0.47 -0.19 1.05 0.42 -0.76 0.00 0.00 175.35 176.35 2cup s ILE 55 N 1.20 4.16 0.07 2.17 -1.09 -1.26 -2.43 121.20 124.03 2cup s ILE 55 Ca -0.08 1.78 -0.08 0.00 -2.23 0.00 0.00 60.65 60.05 2cup s ILE 55 Cb -0.13 -4.14 -0.00 0.00 -1.58 0.00 0.00 42.46 36.61 2cup s ILE 55 CO -0.03 0.27 0.17 -0.76 -1.23 0.00 0.00 174.94 173.36 2cup s LEU 56 N -0.02 1.49 0.41 2.97 1.43 -0.40 -2.87 118.68 121.69 2cup s LEU 56 Ca 0.50 -0.61 0.08 0.00 -1.03 0.00 0.00 54.13 53.06 2cup s LEU 56 Cb -0.27 0.95 -0.01 0.00 0.03 0.00 0.00 46.19 46.89 2cup s LEU 56 CO 0.32 -0.68 0.43 0.00 0.23 0.00 0.00 176.35 176.65 2cup h ASN 58 N 0.93 -0.86 -1.14 0.00 2.35 -1.95 0.26 115.58 115.18 2cup h ASN 58 Ca -0.41 0.09 0.40 0.00 -0.55 0.00 0.00 56.30 55.82 2cup h ASN 58 Cb 1.27 0.31 -0.15 0.00 0.05 0.00 0.00 38.32 39.80 2cup h ASN 58 CO 0.54 -0.42 0.68 0.11 -1.65 0.00 0.00 177.43 176.70 2cup h LYS 59 N -0.59 0.12 0.00 0.81 6.56 -1.96 0.03 116.57 121.55 2cup h LYS 59 Ca 0.01 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2cup h LYS 59 Cb 0.57 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 2cup h LYS 59 CO -0.12 0.08 -0.11 0.00 -2.06 0.00 0.00 179.45 177.24 2cup n THR 61 N -4.66 -0.22 -0.31 0.00 -2.24 0.85 -0.57 114.28 107.12 2cup n THR 61 Ca -0.02 1.70 0.05 0.00 -2.27 0.00 0.00 64.05 63.52 2cup n THR 61 Cb 0.06 -2.79 0.12 0.00 -2.10 0.00 0.00 70.33 65.62 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 -4.56 -0.36 -4.46 4.28 -1.04 -0.09 -4.51 114.28 103.55 2cup n THR 62 Ca 0.39 1.98 -0.27 0.00 -2.04 0.00 0.00 64.05 64.11 2cup n THR 62 Cb 1.54 -2.74 -0.09 0.00 -1.82 0.00 0.00 70.33 67.21 2cup n THR 62 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cup s ARG 63 N -6.09 2.07 0.27 -2.82 1.70 0.27 -5.15 118.95 109.20 2cup s ARG 63 Ca -0.13 -2.04 -0.12 0.00 -0.47 0.00 0.00 55.73 52.97 2cup s ARG 63 Cb 0.23 -1.75 0.00 0.00 -0.57 0.00 0.00 34.95 32.86 2cup s ARG 63 CO 0.67 -0.10 0.52 -1.83 -1.08 0.00 0.00 175.30 173.49 2cup s GLU 64 N -3.79 1.67 -0.13 3.89 4.04 -1.26 -4.95 118.70 118.16 2cup s GLU 64 Ca 0.35 -1.31 0.17 0.00 0.04 0.00 0.00 54.97 54.22 2cup s GLU 64 Cb 0.07 0.49 0.43 0.00 0.02 0.00 0.00 34.13 35.14 2cup s GLU 64 CO 0.19 -0.71 1.20 -0.40 -1.84 0.00 0.00 175.26 173.70 2cup n ASP 65 N -0.60 1.49 -4.90 0.83 5.68 -1.26 -5.08 116.55 112.72 2cup n ASP 65 Ca -0.02 -3.18 -0.28 0.00 -0.50 0.00 0.00 54.79 50.81 2cup n ASP 65 Cb 0.61 -0.44 0.01 0.00 -1.14 0.00 0.00 41.12 40.17 2cup n ASP 65 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2cup s SER 66 N -2.79 6.03 1.07 -1.12 0.01 -1.26 -5.08 113.70 110.57 2cup s SER 66 Ca 0.37 0.97 -0.14 0.00 1.31 0.00 0.00 55.95 58.45 2cup s SER 66 Cb 0.38 -2.12 0.22 0.00 0.21 0.00 0.00 66.02 64.71 2cup s SER 66 CO -0.11 -0.80 1.10 -2.16 0.41 0.00 0.00 173.24 171.68 2cup s PRO 67 N -4.92 -0.14 0.26 12.44 0.04 -1.26 -4.91 135.00 136.50 2cup s PRO 67 Ca 0.51 0.32 0.04 0.00 0.04 0.00 0.00 61.00 61.91 2cup s PRO 67 Cb -0.11 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 2cup s PRO 67 CO 0.47 -3.07 -0.01 -1.59 0.04 0.00 0.00 177.00 172.83 2cup s LYS 68 N -5.09 1.43 0.37 4.56 -2.85 -1.26 -2.29 119.74 114.61 2cup s LYS 68 Ca 0.67 -1.73 0.08 0.00 -1.00 0.00 0.00 55.97 53.98 2cup s LYS 68 Cb -0.16 -0.80 -0.03 0.00 -2.06 0.00 0.00 37.83 34.78 2cup s LYS 68 CO 0.57 -0.07 0.32 0.00 0.10 0.00 0.00 175.35 176.27 2cup n LYS 70 N -1.44 1.81 -0.01 0.00 3.00 -1.25 -3.51 118.16 116.76 2cup n LYS 70 Ca 0.01 -0.02 -0.17 0.00 -0.00 0.00 0.00 58.31 58.12 2cup n LYS 70 Cb 0.61 -1.11 -0.09 0.00 0.00 0.00 0.00 35.03 34.44 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 0.81 0.63 0.00 3.14 0.00 -1.94 -3.37 103.07 102.35 2cup h GLY 71 Ca -0.06 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.32 2cup h GLY 71 CO 0.00 0.85 0.00 0.00 0.00 0.00 0.00 176.54 177.39 2cup n PHE 73 N -0.61 -2.02 -4.29 0.00 3.72 -1.23 -5.00 117.46 108.02 2cup n PHE 73 Ca 0.00 0.75 -0.22 0.00 -0.05 0.00 0.00 57.45 57.94 2cup n PHE 73 Cb 0.00 -4.14 -0.13 0.00 -0.94 0.00 0.00 39.48 34.27 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 -5.66 1.02 -0.18 -1.08 1.02 -1.26 -4.84 119.74 108.76 2cup s LYS 74 Ca 0.20 -1.02 -0.29 0.00 0.02 0.00 0.00 55.97 54.89 2cup s LYS 74 Cb -0.05 -1.15 -0.06 0.00 -0.52 0.00 0.00 37.83 36.04 2cup s LYS 74 CO 0.81 0.27 2.18 0.00 -0.92 0.00 0.00 175.35 177.69 2cup n ALA 75 N 1.33 1.73 -2.19 5.17 0.00 -1.26 -2.29 120.51 123.01 2cup n ALA 75 Ca -0.20 -0.17 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 2cup n ALA 75 Cb 0.54 -2.87 -0.03 0.00 0.00 0.00 0.00 19.45 17.08 2cup n ALA 75 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2cup s ILE 76 N 7.66 3.73 0.08 0.00 1.01 -0.97 -4.98 121.20 127.74 2cup s ILE 76 Ca 0.99 1.36 -0.22 0.00 0.00 0.00 0.00 60.65 62.79 2cup s ILE 76 Cb -0.37 -3.87 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 2cup s ILE 76 CO 0.37 0.17 0.66 -0.69 0.00 0.00 0.00 174.94 175.46 2cup s VAL 77 N 0.39 4.66 0.30 2.92 1.01 -1.26 -4.40 120.40 124.03 2cup s VAL 77 Ca 0.55 1.43 0.06 0.00 0.00 0.00 0.00 61.98 64.02 2cup s VAL 77 Cb -0.32 -4.01 0.30 0.00 0.00 0.00 0.00 36.38 32.35 2cup s VAL 77 CO 0.33 0.49 1.77 0.00 0.00 0.00 0.00 175.10 177.69 2cup h ALA 78 N 4.86 1.65 -0.68 5.51 0.00 -1.99 -1.64 119.26 126.98 2cup h ALA 78 Ca -0.47 0.09 -0.59 0.00 0.00 0.00 0.00 54.91 53.93 2cup h ALA 78 Cb 1.21 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.73 2cup h ALA 78 CO 0.66 -0.08 0.71 0.41 0.00 0.00 0.00 179.25 180.95 2cup n GLY 79 N -1.33 4.75 2.93 0.00 0.00 -1.26 -4.89 105.19 105.39 2cup n GLY 79 Ca 0.23 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 2cup n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cup s ASP 80 N -0.06 -0.06 -0.20 1.61 2.15 -0.62 -5.11 116.67 114.38 2cup s ASP 80 Ca 0.56 0.15 -0.29 0.00 0.43 0.00 0.00 52.55 53.40 2cup s ASP 80 Cb 0.38 0.13 -0.04 0.00 -0.30 0.00 0.00 42.92 43.09 2cup s ASP 80 CO -0.26 -0.05 1.84 -1.10 -0.17 0.00 0.00 175.17 175.43 2cup s GLN 81 N 0.26 3.60 0.47 4.34 -1.52 -1.26 -4.89 119.66 120.67 2cup s GLN 81 Ca -0.02 1.84 0.02 0.00 -1.95 0.00 0.00 55.36 55.25 2cup s GLN 81 Cb -0.03 -4.16 -0.02 0.00 -0.22 0.00 0.00 33.01 28.58 2cup s GLN 81 CO -0.01 -1.54 0.06 0.54 -0.25 0.00 0.00 175.29 174.09 2cup s ASN 82 N 5.55 3.58 -0.23 5.90 2.20 -1.26 0.07 114.94 130.76 2cup s ASN 82 Ca 0.82 -1.66 -0.04 0.00 -0.94 0.00 0.00 52.86 51.04 2cup s ASN 82 Cb -0.29 0.51 0.08 0.00 -2.00 0.00 0.00 41.25 39.55 2cup s ASN 82 CO 0.33 -0.88 0.10 -0.69 -2.94 0.00 0.00 177.10 173.01 2cup s VAL 83 N -3.01 0.08 -0.16 3.54 1.01 0.46 -4.51 120.40 117.81 2cup s VAL 83 Ca 0.13 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 2cup s VAL 83 Cb 0.02 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2cup s VAL 83 CO 0.08 -0.46 0.38 -0.70 0.00 0.00 0.00 175.10 174.39 2cup s GLU 84 N 2.04 4.25 -0.69 2.72 2.12 -1.26 0.11 118.70 127.98 2cup s GLU 84 Ca 0.05 0.22 0.04 0.00 0.36 0.00 0.00 54.97 55.64 2cup s GLU 84 Cb -0.16 -3.47 0.27 0.00 0.26 0.00 0.00 34.13 31.03 2cup s GLU 84 CO -0.20 0.12 0.89 0.98 -0.54 0.00 0.00 175.26 176.51 2cup n TYR 85 N 3.93 3.53 -3.49 5.30 9.36 -0.32 -4.86 117.16 130.62 2cup n TYR 85 Ca -0.09 -3.91 -0.20 0.00 3.32 0.00 0.00 57.90 57.02 2cup n TYR 85 Cb 0.51 -0.65 0.06 0.00 -0.63 0.00 0.00 39.34 38.64 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 0.72 -3.82 0.00 2.98 5.02 -1.26 -4.17 118.16 117.63 2cup n LYS 86 Ca 0.30 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 57.32 2cup n LYS 86 Cb 0.39 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.03 2cup n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cup n GLY 87 N -1.38 1.80 3.69 0.72 0.00 -1.26 -5.07 105.19 103.69 2cup n GLY 87 Ca -0.19 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 4.56 -0.09 2.61 -4.23 -1.26 -5.01 115.64 112.22 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 -0.02 0.00 1.34 0.00 0.00 72.50 69.63 2cup s THR 88 CO 0.00 0.01 -0.14 0.54 -0.54 0.00 0.00 174.62 174.49 2cup s VAL 89 N 2.04 3.04 0.05 2.29 0.11 -1.26 -1.17 120.40 125.51 2cup s VAL 89 Ca 0.52 -0.70 0.08 0.00 -2.93 0.00 0.00 61.98 58.95 2cup s VAL 89 Cb -0.21 -2.23 -0.03 0.00 -1.53 0.00 0.00 36.38 32.37 2cup s VAL 89 CO 0.20 0.56 -0.19 0.26 -3.33 0.00 0.00 175.10 172.59 2cup s TRP 90 N -0.14 2.52 0.37 1.54 0.52 0.29 -3.92 118.94 120.12 2cup s TRP 90 Ca -0.01 -0.28 -0.26 0.00 0.02 0.00 0.00 56.10 55.57 2cup s TRP 90 Cb -0.14 -1.43 -0.12 0.00 -1.15 0.00 0.00 33.47 30.64 2cup s TRP 90 CO 0.03 0.26 1.05 0.72 0.02 0.00 0.00 176.95 179.04 2cup n HIS 91 N 1.45 1.38 -0.57 -1.98 8.25 -1.26 0.17 115.22 122.66 2cup n HIS 91 Ca -0.16 0.59 0.46 0.00 -0.26 0.00 0.00 57.72 58.35 2cup n HIS 91 Cb 0.52 -2.26 0.73 0.00 1.12 0.00 0.00 29.99 30.10 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 0.37 -0.02 -0.01 -0.41 3.00 0.11 0.87 118.16 122.07 2cup n LYS 92 Ca 0.09 1.17 -0.19 0.00 -0.00 0.00 0.00 58.31 59.38 2cup n LYS 92 Cb 0.37 -2.46 -0.14 0.00 0.00 0.00 0.00 35.03 32.80 2cup n LYS 92 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2cup h ASP 93 N 0.00 0.27 -0.92 3.14 1.82 -1.86 -3.34 116.42 115.53 2cup h ASP 93 Ca 0.90 -0.91 0.06 0.00 -0.39 0.00 0.00 57.03 56.69 2cup h ASP 93 Cb 3.22 -0.09 -0.06 0.00 0.68 0.00 0.00 39.33 43.08 2cup h ASP 93 CO -0.27 1.34 0.58 0.00 -1.61 0.00 0.00 179.24 179.28 2cup s PHE 95 N -6.06 3.87 -0.24 0.00 2.19 0.66 -4.91 117.98 113.49 2cup s PHE 95 Ca -0.13 1.81 -0.08 0.00 0.33 0.00 0.00 56.93 58.87 2cup s PHE 95 Cb 0.19 -3.00 0.10 0.00 -1.31 0.00 0.00 43.02 39.00 2cup s PHE 95 CO 0.80 0.32 0.51 0.45 1.83 0.00 0.00 175.22 179.12 2cup s SER 96 N -0.48 -0.59 0.00 6.13 0.15 -1.26 -4.85 113.70 112.79 2cup s SER 96 Ca 0.44 1.21 0.00 0.00 0.70 0.00 0.00 55.95 58.30 2cup s SER 96 Cb -0.24 1.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.76 2cup s SER 96 CO 0.30 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2cup n GLY 97 N 5.37 2.14 0.00 9.45 0.00 -1.26 -4.92 105.19 115.97 2cup n GLY 97 Ca -0.10 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.85 2cup n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cup n PRO 98 N 0.00 0.40 -2.63 1.61 -0.04 -1.26 -4.78 135.00 128.30 2cup n PRO 98 Ca 0.00 0.05 -0.33 0.00 -0.04 0.00 0.00 63.50 63.17 2cup n PRO 98 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 2cup n PRO 98 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cup s SER 99 N -2.18 6.60 0.59 3.54 0.01 -1.26 -5.06 113.70 115.94 2cup s SER 99 Ca 0.20 1.79 -0.06 0.00 1.31 0.00 0.00 55.95 59.19 2cup s SER 99 Cb 0.10 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2cup s SER 99 CO 0.19 -0.60 0.91 -0.55 0.41 0.00 0.00 173.24 173.60 2cup s SER 100 N -2.20 5.71 0.00 2.44 0.15 -1.26 -5.08 113.70 113.46 2cup s SER 100 Ca 0.64 0.81 0.04 0.00 0.70 0.00 0.00 55.95 58.15 2cup s SER 100 Cb -0.13 -1.84 0.03 0.00 -1.71 0.00 0.00 66.02 62.38 2cup s SER 100 CO 0.19 -1.01 0.63 0.61 1.20 0.00 0.00 173.24 174.86