#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cup h SER 2 N 0.00 -0.31 -1.63 1.61 4.64 -2.08 -3.40 113.55 112.38 2cup h SER 2 Ca 0.00 0.26 -0.59 0.00 -0.47 0.00 0.00 61.79 60.99 2cup h SER 2 Cb 0.00 0.42 -0.10 0.00 -0.31 0.00 0.00 62.40 62.41 2cup h SER 2 CO 0.00 -0.31 -0.53 -0.44 -0.87 0.00 0.00 176.83 174.67 2cup s SER 3 N -4.99 4.25 -0.43 4.97 0.01 -1.26 -5.09 113.70 111.16 2cup s SER 3 Ca -0.12 -1.16 0.08 0.00 1.31 0.00 0.00 55.95 56.05 2cup s SER 3 Cb 0.28 -0.46 0.34 0.00 0.21 0.00 0.00 66.02 66.40 2cup s SER 3 CO 0.78 -0.50 1.05 0.61 0.41 0.00 0.00 173.24 175.58 2cup n GLY 4 N -1.15 1.42 2.57 3.44 0.00 -1.26 -4.98 105.19 105.23 2cup n GLY 4 Ca -0.02 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 2cup n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cup n SER 5 N 0.23 7.55 -3.30 1.61 2.88 -1.26 -4.94 113.62 116.39 2cup n SER 5 Ca 0.10 -3.81 -0.09 0.00 -1.33 0.00 0.00 58.87 53.74 2cup n SER 5 Cb 0.71 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 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 -1.58 0.00 0.00 -3.46 0.01 -1.26 -5.14 113.70 102.28 2cup s SER 6 Ca 0.59 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2cup s SER 6 Cb 0.48 0.78 0.00 0.00 0.21 0.00 0.00 66.02 67.49 2cup s SER 6 CO -0.18 -1.52 0.00 0.61 0.41 0.00 0.00 173.24 172.56 2cup n GLY 7 N -0.50 1.75 3.86 3.44 0.00 -1.26 -4.48 105.19 107.99 2cup n GLY 7 Ca -0.06 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 1.24 0.00 -0.09 0.00 0.24 -1.11 -2.34 118.33 116.28 2cup n VAL 9 Ca -0.10 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.34 61.89 2cup n VAL 9 Cb 0.52 0.80 -0.06 0.00 -1.47 0.00 0.00 33.84 33.63 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 -0.52 0.52 -0.06 7.34 2.13 -1.26 -4.48 120.64 124.30 2cup n GLU 10 Ca 0.10 0.45 0.12 0.00 0.66 0.00 0.00 57.16 58.48 2cup n GLU 10 Cb 0.40 -1.63 0.20 0.00 0.27 0.00 0.00 31.44 30.67 2cup n GLU 10 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2cup n ARG 12 N 1.19 -1.88 -4.16 0.00 3.00 -0.99 -4.93 116.66 108.90 2cup n ARG 12 Ca 0.16 0.64 -0.24 0.00 -0.01 0.00 0.00 57.85 58.40 2cup n ARG 12 Cb 0.56 -5.11 -0.06 0.00 0.00 0.00 0.00 32.46 27.85 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 -4.31 2.70 0.37 5.56 1.02 -1.24 -4.82 119.74 119.01 2cup s LYS 13 Ca 0.00 -1.08 -0.27 0.00 0.02 0.00 0.00 55.97 54.64 2cup s LYS 13 Cb 0.00 -2.47 -0.09 0.00 -0.52 0.00 0.00 37.83 34.75 2cup s LYS 13 CO 0.00 0.43 1.20 -1.25 -0.92 0.00 0.00 175.35 174.81 2cup s PRO 14 N -3.43 4.20 0.05 -1.68 0.04 -1.26 -0.35 135.00 132.56 2cup s PRO 14 Ca 0.31 1.95 0.03 0.00 0.04 0.00 0.00 61.00 63.33 2cup s PRO 14 Cb -0.08 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 2cup s PRO 14 CO 0.22 -0.23 -0.00 0.42 0.04 0.00 0.00 177.00 177.45 2cup s ILE 15 N -1.30 4.05 -0.01 0.56 1.01 -1.26 -4.84 121.20 119.41 2cup s ILE 15 Ca 0.53 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 2cup s ILE 15 Cb -0.34 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 2cup s ILE 15 CO 0.43 0.25 0.29 -0.83 0.00 0.00 0.00 174.94 175.08 2cup s GLY 16 N -1.93 2.29 0.17 6.18 0.00 -1.26 -4.79 107.32 107.98 2cup s GLY 16 Ca 0.23 -0.49 -0.16 0.00 0.00 0.00 0.00 44.72 44.30 2cup s GLY 16 CO 0.14 -0.25 1.69 0.00 0.00 0.00 0.00 173.10 174.69 2cup h ALA 17 N 4.26 0.37 -0.30 3.20 0.00 -1.99 -0.71 119.26 124.09 2cup h ALA 17 Ca -0.51 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2cup h ALA 17 Cb 1.21 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2cup h ALA 17 CO 0.64 -0.40 0.03 0.22 0.00 0.00 0.00 179.25 179.74 2cup h ASP 18 N 0.10 0.41 -2.99 0.00 3.58 -2.05 -3.43 116.42 112.04 2cup h ASP 18 Ca 0.20 -0.06 -0.53 0.00 0.42 0.00 0.00 57.03 57.06 2cup h ASP 18 Cb 0.29 -0.11 0.05 0.00 1.72 0.00 0.00 39.33 41.28 2cup h ASP 18 CO -0.34 0.46 0.84 -0.44 -2.88 0.00 0.00 179.24 176.88 2cup s SER 19 N -6.77 6.61 -0.43 2.28 0.01 -0.27 -4.89 113.70 110.24 2cup s SER 19 Ca -0.07 2.62 -0.27 0.00 1.31 0.00 0.00 55.95 59.54 2cup s SER 19 Cb 0.16 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 2cup s SER 19 CO 0.75 -0.79 2.13 -0.54 0.41 0.00 0.00 173.24 175.20 2cup s LYS 20 N 0.71 2.66 0.23 12.44 1.02 -1.26 -4.75 119.74 130.79 2cup s LYS 20 Ca 0.67 1.35 0.08 0.00 0.02 0.00 0.00 55.97 58.09 2cup s LYS 20 Cb -0.43 -4.42 -0.04 0.00 -0.52 0.00 0.00 37.83 32.42 2cup s LYS 20 CO 0.35 -2.65 0.03 -1.83 -0.92 0.00 0.00 175.35 170.32 2cup s GLU 21 N 7.11 2.43 -0.33 1.68 -1.05 -1.26 -2.66 118.70 124.62 2cup s GLU 21 Ca 0.88 -1.24 0.01 0.00 -0.15 0.00 0.00 54.97 54.47 2cup s GLU 21 Cb -0.20 -2.30 0.08 0.00 -0.44 0.00 0.00 34.13 31.27 2cup s GLU 21 CO 0.28 0.41 0.04 0.08 0.95 0.00 0.00 175.26 177.02 2cup s VAL 22 N -2.06 2.63 -0.30 1.83 1.01 -0.74 -4.95 120.40 117.83 2cup s VAL 22 Ca 0.30 -1.94 -0.20 0.00 0.00 0.00 0.00 61.98 60.15 2cup s VAL 22 Cb -0.08 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 2cup s VAL 22 CO 0.20 -0.40 0.59 -2.28 0.00 0.00 0.00 175.10 173.21 2cup s HIS 23 N 1.07 3.22 -0.20 5.22 5.04 -1.26 -2.18 115.29 126.20 2cup s HIS 23 Ca 0.03 0.55 -0.07 0.00 -1.54 0.00 0.00 55.06 54.03 2cup s HIS 23 Cb -0.20 -2.92 0.09 0.00 0.04 0.00 0.00 32.58 29.58 2cup s HIS 23 CO -0.05 -0.44 0.42 -0.47 -2.34 0.00 0.00 174.74 171.86 2cup s TYR 24 N 2.52 -0.78 -0.91 3.88 5.04 -1.11 -4.92 117.35 121.07 2cup s TYR 24 Ca 0.24 1.51 -0.00 0.00 -2.44 0.00 0.00 57.07 56.37 2cup s TYR 24 Cb -0.15 0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.46 2cup s TYR 24 CO 0.11 -0.47 0.76 1.63 -1.34 0.00 0.00 175.55 176.25 2cup n LYS 25 N 5.25 -5.05 -2.58 4.97 4.76 -1.26 -2.54 118.16 121.72 2cup n LYS 25 Ca -0.10 0.64 -0.19 0.00 -2.87 0.00 0.00 58.31 55.79 2cup n LYS 25 Cb 0.50 -5.04 -0.00 0.00 -1.84 0.00 0.00 35.03 28.65 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 -2.57 -5.19 -3.97 4.39 2.85 -1.26 -4.96 115.26 104.56 2cup n ASN 26 Ca -0.21 -0.02 -0.26 0.00 -0.11 0.00 0.00 54.58 53.98 2cup n ASN 26 Cb 0.62 -4.32 -0.06 0.00 1.24 0.00 0.00 39.78 37.26 2cup n ASN 26 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2cup n ARG 27 N -3.17 0.71 -3.63 1.20 1.74 -1.05 -5.14 116.66 107.32 2cup n ARG 27 Ca -0.18 -3.26 -0.05 0.00 -0.77 0.00 0.00 57.85 53.60 2cup n ARG 27 Cb 0.64 1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 33.45 2cup n ARG 27 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2cup s PHE 28 N -2.86 -1.07 -0.01 -1.55 0.40 -1.25 -2.75 117.98 108.89 2cup s PHE 28 Ca 0.12 2.04 0.06 0.00 -0.60 0.00 0.00 56.93 58.55 2cup s PHE 28 Cb 0.01 0.64 -0.01 0.00 0.51 0.00 0.00 43.02 44.16 2cup s PHE 28 CO 0.08 -0.53 -0.19 -1.58 0.70 0.00 0.00 175.22 173.70 2cup s TRP 29 N 1.98 1.69 0.76 0.36 0.51 -0.93 -2.73 118.94 120.58 2cup s TRP 29 Ca -0.09 -0.32 -0.13 0.00 -2.12 0.00 0.00 56.10 53.44 2cup s TRP 29 Cb -0.07 -1.08 0.06 0.00 -0.81 0.00 0.00 33.47 31.57 2cup s TRP 29 CO -0.19 -0.02 1.16 -1.01 -0.51 0.00 0.00 176.95 176.38 2cup s HIS 30 N -0.45 2.12 -0.30 -1.98 3.76 -1.26 -1.79 115.29 115.38 2cup s HIS 30 Ca 0.07 1.63 0.12 0.00 -0.15 0.00 0.00 55.06 56.73 2cup s HIS 30 Cb -0.07 -3.33 0.66 0.00 1.11 0.00 0.00 32.58 30.95 2cup s HIS 30 CO -0.01 -2.39 1.31 -0.40 -0.85 0.00 0.00 174.74 172.41 2cup n ASP 31 N -3.11 0.32 -0.00 1.40 5.75 -1.09 -0.24 116.55 119.58 2cup n ASP 31 Ca 0.12 0.58 0.04 0.00 -0.01 0.00 0.00 54.79 55.53 2cup n ASP 31 Cb 0.51 -0.59 -0.06 0.00 -1.03 0.00 0.00 41.12 39.95 2cup n ASP 31 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2cup n THR 32 N -1.93 0.00 0.06 2.12 5.66 -1.26 -4.62 114.28 114.31 2cup n THR 32 Ca -0.01 -0.23 -0.23 0.00 -3.05 0.00 0.00 64.05 60.54 2cup n THR 32 Cb 0.15 0.46 -0.15 0.00 -1.55 0.00 0.00 70.33 69.25 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 -2.57 1.52 0.23 0.00 5.36 0.20 -4.86 117.98 117.86 2cup s PHE 34 Ca -0.18 0.86 -0.22 0.00 -0.96 0.00 0.00 56.93 56.43 2cup s PHE 34 Cb 0.06 -3.97 0.04 0.00 -0.34 0.00 0.00 43.02 38.80 2cup s PHE 34 CO 0.83 -2.84 0.84 -0.98 -1.46 0.00 0.00 175.22 171.61 2cup s ARG 35 N 6.70 1.56 1.06 10.12 1.70 -1.26 -3.56 118.95 135.28 2cup s ARG 35 Ca 0.83 -0.89 -0.12 0.00 -0.47 0.00 0.00 55.73 55.08 2cup s ARG 35 Cb -0.20 0.52 0.23 0.00 -0.57 0.00 0.00 34.95 34.92 2cup s ARG 35 CO 0.29 -0.72 1.07 0.00 -1.08 0.00 0.00 175.30 174.85 2cup n ALA 37 N -4.57 3.12 -0.13 0.00 0.00 -1.11 -3.31 120.51 114.51 2cup n ALA 37 Ca 0.05 -0.36 -0.27 0.00 0.00 0.00 0.00 53.44 52.87 2cup n ALA 37 Cb 0.54 -0.48 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.66 0.58 0.00 0.00 4.81 -1.26 -4.60 118.16 116.03 2cup n LYS 38 Ca -0.00 0.23 0.10 0.00 -0.87 0.00 0.00 58.31 57.77 2cup n LYS 38 Cb 0.29 -1.46 -0.10 0.00 0.02 0.00 0.00 35.03 33.78 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 -1.24 -3.36 -4.47 0.00 7.99 -1.21 -4.94 117.00 109.77 2cup n LEU 40 Ca 0.05 -0.87 -0.32 0.00 -0.01 0.00 0.00 56.01 54.85 2cup n LEU 40 Cb 0.33 -2.64 -0.13 0.00 -0.11 0.00 0.00 43.42 40.87 2cup n LEU 40 CO 0.38 0.38 -0.46 -2.28 -1.51 0.00 0.00 177.39 173.90 2cup s HIS 41 N -3.59 2.66 -0.27 -1.77 2.46 -1.26 -4.69 115.29 108.83 2cup s HIS 41 Ca 0.21 -0.19 -0.29 0.00 0.47 0.00 0.00 55.06 55.26 2cup s HIS 41 Cb -0.06 -1.57 -0.02 0.00 -0.13 0.00 0.00 32.58 30.80 2cup s HIS 41 CO 0.82 0.22 1.64 -1.25 -2.47 0.00 0.00 174.74 173.70 2cup s PRO 42 N -1.02 3.66 -0.13 2.88 0.04 -1.26 0.38 135.00 139.54 2cup s PRO 42 Ca 0.13 1.53 0.07 0.00 0.04 0.00 0.00 61.00 62.77 2cup s PRO 42 Cb -0.11 -4.08 0.42 0.00 0.04 0.00 0.00 34.50 30.78 2cup s PRO 42 CO 0.03 -1.46 1.17 1.28 0.04 0.00 0.00 177.00 178.05 2cup n LEU 43 N 8.95 3.55 0.42 -3.56 7.99 -1.23 -4.43 117.00 128.69 2cup n LEU 43 Ca 0.20 -1.81 -0.16 0.00 -0.01 0.00 0.00 56.01 54.23 2cup n LEU 43 Cb 0.46 -0.60 -0.08 0.00 -0.11 0.00 0.00 43.42 43.09 2cup n LEU 43 CO 0.66 0.47 0.52 0.00 -1.51 0.00 0.00 177.39 177.53 2cup h ALA 44 N 2.93 -1.27 0.00 -1.18 0.00 -1.90 -3.18 119.26 114.67 2cup h ALA 44 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2cup h ALA 44 Cb 1.32 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2cup h ALA 44 CO 0.28 -1.20 -0.17 -2.95 0.00 0.00 0.00 179.25 175.21 2cup h ASN 45 N -1.08 0.00 -0.90 0.00 7.08 -1.99 -3.46 115.58 115.23 2cup h ASN 45 Ca -0.11 -0.01 -0.50 0.00 -3.08 0.00 0.00 56.30 52.60 2cup h ASN 45 Cb 0.82 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.07 2cup h ASN 45 CO 0.18 0.00 -0.18 -1.61 -2.08 0.00 0.00 177.43 173.74 2cup s GLU 46 N -3.22 2.39 0.49 4.14 0.41 -1.20 -5.11 118.70 116.60 2cup s GLU 46 Ca 0.06 -1.65 -0.13 0.00 -0.41 0.00 0.00 54.97 52.84 2cup s GLU 46 Cb 0.07 -2.54 -0.07 0.00 -1.78 0.00 0.00 34.13 29.82 2cup s GLU 46 CO 0.68 -0.68 0.91 0.99 -0.49 0.00 0.00 175.26 176.67 2cup s THR 47 N -2.63 4.66 0.15 3.63 2.01 -1.26 -4.74 115.64 117.46 2cup s THR 47 Ca 0.54 0.93 0.05 0.00 0.31 0.00 0.00 61.69 63.53 2cup s THR 47 Cb -0.05 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2cup s THR 47 CO 0.34 -0.70 -0.11 0.72 -0.69 0.00 0.00 174.62 174.17 2cup s PHE 48 N -2.62 1.34 -0.00 4.92 -0.12 -1.26 -4.52 117.98 115.72 2cup s PHE 48 Ca 0.55 -0.69 0.02 0.00 -0.05 0.00 0.00 56.93 56.76 2cup s PHE 48 Cb -0.10 -0.68 -0.01 0.00 -0.63 0.00 0.00 43.02 41.61 2cup s PHE 48 CO 0.35 0.13 -0.07 0.08 -0.05 0.00 0.00 175.22 175.66 2cup s VAL 49 N -3.05 0.58 -0.23 -2.49 1.01 0.90 -4.96 120.40 112.16 2cup s VAL 49 Ca 0.16 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2cup s VAL 49 Cb 0.01 -0.51 0.05 0.00 0.00 0.00 0.00 36.38 35.93 2cup s VAL 49 CO 0.02 0.12 -0.09 0.00 0.00 0.00 0.00 175.10 175.15 2cup s ALA 50 N -0.28 2.15 -0.02 5.51 0.00 -1.26 -0.23 121.76 127.63 2cup s ALA 50 Ca 0.02 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.56 2cup s ALA 50 Cb -0.03 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.69 2cup s ALA 50 CO -0.00 -1.05 0.05 0.15 0.00 0.00 0.00 175.76 174.91 2cup s LYS 51 N 1.31 0.02 -1.47 0.00 3.01 -0.83 -4.84 119.74 116.94 2cup s LYS 51 Ca -0.05 0.14 -0.04 0.00 -1.01 0.00 0.00 55.97 55.02 2cup s LYS 51 Cb -0.18 -0.10 0.00 0.00 -1.01 0.00 0.00 37.83 36.54 2cup s LYS 51 CO -0.07 -0.08 0.48 -0.25 0.51 0.00 0.00 175.35 175.94 2cup n ASP 52 N 3.60 -5.77 -3.55 2.83 8.00 -1.26 -2.07 116.55 118.33 2cup n ASP 52 Ca -0.20 -0.23 -0.23 0.00 0.71 0.00 0.00 54.79 54.85 2cup n ASP 52 Cb 0.55 -4.63 0.08 0.00 -0.02 0.00 0.00 41.12 37.10 2cup n ASP 52 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2cup n ASN 53 N -2.12 -5.88 -3.75 -2.24 4.13 -1.26 -5.00 115.26 99.14 2cup n ASN 53 Ca -0.12 -0.54 -0.13 0.00 1.68 0.00 0.00 54.58 55.47 2cup n ASN 53 Cb 0.62 -5.00 -0.13 0.00 -1.54 0.00 0.00 39.78 33.74 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 -6.20 0.21 0.04 3.52 1.02 -0.88 -5.14 119.74 112.31 2cup s LYS 54 Ca 0.52 0.44 -0.27 0.00 0.02 0.00 0.00 55.97 56.68 2cup s LYS 54 Cb -0.23 -0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 36.98 2cup s LYS 54 CO 0.72 -0.12 0.84 0.42 -0.92 0.00 0.00 175.35 176.30 2cup s ILE 55 N 0.87 4.73 0.19 2.17 -1.09 -1.26 -1.97 121.20 124.84 2cup s ILE 55 Ca -0.06 1.79 -0.08 0.00 -2.23 0.00 0.00 60.65 60.07 2cup s ILE 55 Cb -0.08 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.59 2cup s ILE 55 CO -0.05 0.30 0.28 -0.76 -1.23 0.00 0.00 174.94 173.48 2cup s LEU 56 N 0.24 0.90 0.23 2.97 1.43 0.69 -2.73 118.68 122.40 2cup s LEU 56 Ca 0.43 -1.03 0.08 0.00 -1.03 0.00 0.00 54.13 52.58 2cup s LEU 56 Cb -0.21 1.09 -0.04 0.00 0.03 0.00 0.00 46.19 47.06 2cup s LEU 56 CO 0.25 -0.93 0.04 0.00 0.23 0.00 0.00 176.35 175.94 2cup h ASN 58 N 2.05 0.17 -1.00 0.00 2.35 -1.93 0.24 115.58 117.47 2cup h ASN 58 Ca -0.46 0.10 0.24 0.00 -0.55 0.00 0.00 56.30 55.62 2cup h ASN 58 Cb 1.23 0.10 -0.09 0.00 0.05 0.00 0.00 38.32 39.61 2cup h ASN 58 CO 0.60 0.09 0.64 0.50 -1.65 0.00 0.00 177.43 177.61 2cup h LYS 59 N 0.37 0.46 0.00 0.81 3.64 -1.95 0.82 116.57 120.72 2cup h LYS 59 Ca 0.34 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2cup h LYS 59 Cb 0.48 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2cup h LYS 59 CO -0.37 0.30 -0.22 0.00 -2.27 0.00 0.00 179.45 176.90 2cup h THR 61 N -0.68 0.00 -3.57 0.00 1.35 -0.50 -3.41 112.91 106.11 2cup h THR 61 Ca 0.00 -0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.31 2cup h THR 61 Cb 0.22 0.00 0.19 0.00 -1.73 0.00 0.00 68.15 66.83 2cup h THR 61 CO 0.00 0.00 -0.17 1.07 -0.25 0.00 0.00 175.52 176.18 2cup n THR 62 N -5.39 1.79 -1.65 6.82 5.66 0.27 -4.82 114.28 116.97 2cup n THR 62 Ca 0.30 -0.32 -0.43 0.00 -3.05 0.00 0.00 64.05 60.55 2cup n THR 62 Cb 1.01 -0.89 -0.03 0.00 -1.55 0.00 0.00 70.33 68.86 2cup n THR 62 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2cup n ARG 63 N -1.64 2.64 -3.61 1.09 3.00 -1.26 -4.95 116.66 111.93 2cup n ARG 63 Ca 0.11 0.94 -0.12 0.00 -0.01 0.00 0.00 57.85 58.77 2cup n ARG 63 Cb 0.50 -2.99 -0.05 0.00 0.00 0.00 0.00 32.46 29.92 2cup n ARG 63 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2cup s GLU 64 N 4.70 1.03 -0.40 5.56 2.02 -1.26 -4.96 118.70 125.39 2cup s GLU 64 Ca 0.91 -0.45 -0.01 0.00 0.02 0.00 0.00 54.97 55.44 2cup s GLU 64 Cb -0.46 0.46 0.00 0.00 0.10 0.00 0.00 34.13 34.23 2cup s GLU 64 CO 0.43 -0.38 0.34 -3.47 0.02 0.00 0.00 175.26 172.19 2cup n ASP 65 N 0.16 -2.74 -3.85 -0.19 -0.08 -1.26 -4.93 116.55 103.67 2cup n ASP 65 Ca -0.17 -0.18 -0.42 0.00 -1.51 0.00 0.00 54.79 52.51 2cup n ASP 65 Cb 0.62 -1.93 -0.03 0.00 2.34 0.00 0.00 41.12 42.12 2cup n ASP 65 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2cup n SER 66 N -0.73 -1.08 -4.56 1.67 3.41 -1.26 -4.91 113.62 106.16 2cup n SER 66 Ca -0.04 0.99 -0.29 0.00 -0.26 0.00 0.00 58.87 59.27 2cup n SER 66 Cb 0.53 -0.83 0.19 0.00 -0.26 0.00 0.00 64.21 63.84 2cup n SER 66 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2cup s PRO 67 N -0.87 0.10 0.20 4.33 0.04 -1.26 -4.82 135.00 132.72 2cup s PRO 67 Ca 0.56 0.41 0.09 0.00 0.04 0.00 0.00 61.00 62.10 2cup s PRO 67 Cb -0.82 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 2cup s PRO 67 CO 0.49 -2.93 -0.18 -1.59 0.04 0.00 0.00 177.00 172.83 2cup s LYS 68 N -5.02 1.38 0.38 4.56 0.00 -1.26 -0.83 119.74 118.94 2cup s LYS 68 Ca 0.66 -1.54 0.04 0.00 0.00 0.00 0.00 55.97 55.13 2cup s LYS 68 Cb -0.18 -1.36 -0.01 0.00 0.00 0.00 0.00 37.83 36.28 2cup s LYS 68 CO 0.57 0.26 0.55 0.00 0.00 0.00 0.00 175.35 176.73 2cup n LYS 70 N -1.81 0.62 0.09 0.00 3.00 -1.26 -3.09 118.16 115.71 2cup n LYS 70 Ca -0.00 -0.08 -0.14 0.00 -0.00 0.00 0.00 58.31 58.09 2cup n LYS 70 Cb 0.58 -1.23 -0.10 0.00 0.00 0.00 0.00 35.03 34.28 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 1.74 0.33 0.00 3.14 0.00 -1.93 -3.39 103.07 102.97 2cup h GLY 71 Ca -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.56 2cup h GLY 71 CO 0.00 0.65 -0.90 0.00 0.00 0.00 0.00 176.54 176.29 2cup n PHE 73 N -1.59 -0.65 -4.50 0.00 7.35 -1.18 -5.03 117.46 111.86 2cup n PHE 73 Ca 0.00 0.27 -0.24 0.00 -0.76 0.00 0.00 57.45 56.72 2cup n PHE 73 Cb 0.22 -2.82 -0.10 0.00 0.35 0.00 0.00 39.48 37.13 2cup n PHE 73 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2cup s LYS 74 N -4.49 1.71 -0.54 -4.13 -0.14 -1.26 -4.82 119.74 106.07 2cup s LYS 74 Ca 0.02 -1.87 -0.28 0.00 -1.36 0.00 0.00 55.97 52.48 2cup s LYS 74 Cb -0.01 -1.53 0.01 0.00 -1.68 0.00 0.00 37.83 34.62 2cup s LYS 74 CO 0.21 0.13 1.49 0.00 -0.76 0.00 0.00 175.35 176.42 2cup s ALA 75 N -2.73 2.76 0.25 5.17 0.00 -1.26 -1.28 121.76 124.67 2cup s ALA 75 Ca 0.31 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.41 2cup s ALA 75 Cb 0.02 -4.11 -0.09 0.00 0.00 0.00 0.00 23.12 18.94 2cup s ALA 75 CO 0.15 -2.98 1.23 0.42 0.00 0.00 0.00 175.76 174.58 2cup s ILE 76 N 6.41 3.22 0.13 0.00 1.01 -0.01 -4.99 121.20 126.98 2cup s ILE 76 Ca 0.57 1.12 0.06 0.00 0.00 0.00 0.00 60.65 62.40 2cup s ILE 76 Cb -0.12 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2cup s ILE 76 CO 0.26 0.22 0.02 -0.69 0.00 0.00 0.00 174.94 174.75 2cup s VAL 77 N -0.59 3.95 0.11 2.92 1.01 -1.26 -4.00 120.40 122.53 2cup s VAL 77 Ca 0.51 -1.18 -0.33 0.00 0.00 0.00 0.00 61.98 60.98 2cup s VAL 77 Cb -0.35 -2.94 -0.13 0.00 0.00 0.00 0.00 36.38 32.95 2cup s VAL 77 CO 0.43 -0.00 1.53 0.00 0.00 0.00 0.00 175.10 177.05 2cup h ALA 78 N 3.00 -0.92 -0.82 5.51 0.00 -1.98 -1.65 119.26 122.40 2cup h ALA 78 Ca -0.47 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.41 2cup h ALA 78 Cb 1.18 0.96 -0.05 0.00 0.00 0.00 0.00 17.79 19.88 2cup h ALA 78 CO 0.59 -1.09 0.54 0.78 0.00 0.00 0.00 179.25 180.08 2cup h GLY 79 N -0.63 1.16 -6.62 0.00 0.00 -2.04 -3.40 103.07 91.54 2cup h GLY 79 Ca 0.02 -0.38 -0.57 0.00 0.00 0.00 0.00 47.33 46.39 2cup h GLY 79 CO -0.37 0.30 1.29 0.99 0.00 0.00 0.00 176.54 178.75 2cup s ASP 80 N -6.14 5.94 0.42 0.19 1.11 -0.62 -4.92 116.67 112.66 2cup s ASP 80 Ca -0.11 1.60 -0.20 0.00 0.18 0.00 0.00 52.55 54.02 2cup s ASP 80 Cb 0.19 -2.52 -0.15 0.00 1.07 0.00 0.00 42.92 41.51 2cup s ASP 80 CO 0.79 -1.62 0.03 0.00 1.18 0.00 0.00 175.17 175.55 2cup n GLN 81 N 8.28 0.00 -3.63 8.23 1.13 -1.26 -4.46 117.38 125.66 2cup n GLN 81 Ca 0.23 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.17 2cup n GLN 81 Cb 0.46 -0.99 -0.05 0.00 0.11 0.00 0.00 30.24 29.76 2cup n GLN 81 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2cup s ASN 82 N -0.99 -0.31 -0.24 1.08 2.20 -1.26 -3.85 114.94 111.57 2cup s ASN 82 Ca 0.58 -0.09 0.00 0.00 -0.94 0.00 0.00 52.86 52.41 2cup s ASN 82 Cb -0.60 0.46 0.07 0.00 -2.00 0.00 0.00 41.25 39.18 2cup s ASN 82 CO 0.63 -0.76 -0.01 -0.69 -2.94 0.00 0.00 177.10 173.33 2cup s VAL 83 N -3.03 1.35 -0.20 3.54 1.01 0.41 -4.67 120.40 118.81 2cup s VAL 83 Ca -0.02 -1.22 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 2cup s VAL 83 Cb 0.00 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 2cup s VAL 83 CO -0.06 -0.22 0.22 -0.70 0.00 0.00 0.00 175.10 174.34 2cup s GLU 84 N 1.46 4.18 0.00 2.72 2.12 -1.26 0.16 118.70 128.07 2cup s GLU 84 Ca -0.02 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.23 2cup s GLU 84 Cb -0.18 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.74 2cup s GLU 84 CO -0.09 0.18 0.00 0.98 -0.54 0.00 0.00 175.26 175.79 2cup n TYR 85 N 3.86 0.00 -3.56 5.30 9.36 -1.11 -4.98 117.16 126.02 2cup n TYR 85 Ca -0.13 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.80 2cup n TYR 85 Cb 0.52 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 39.11 2cup n TYR 85 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2cup s LYS 86 N -0.27 1.14 0.00 2.98 1.02 -1.26 -4.89 119.74 118.46 2cup s LYS 86 Ca 0.00 -2.08 0.00 0.00 0.02 0.00 0.00 55.97 53.91 2cup s LYS 86 Cb 0.00 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 2cup s LYS 86 CO 0.00 -1.28 0.00 0.41 -0.92 0.00 0.00 175.35 173.56 2cup n GLY 87 N 3.16 1.25 3.55 -3.33 0.00 -1.26 -4.93 105.19 103.64 2cup n GLY 87 Ca 0.19 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.11 4.47 -0.20 2.61 -4.23 -1.26 -5.09 115.64 111.83 2cup s THR 88 Ca 0.00 -0.14 -0.04 0.00 -1.18 0.00 0.00 61.69 60.33 2cup s THR 88 Cb 0.00 -3.03 -0.02 0.00 1.34 0.00 0.00 72.50 70.79 2cup s THR 88 CO 0.00 0.43 -0.02 0.54 -0.54 0.00 0.00 174.62 175.02 2cup s VAL 89 N 0.76 3.67 -0.09 2.29 0.11 -1.26 -2.77 120.40 123.12 2cup s VAL 89 Ca 0.02 -0.41 -0.03 0.00 -2.93 0.00 0.00 61.98 58.64 2cup s VAL 89 Cb -0.14 -2.66 -0.04 0.00 -1.53 0.00 0.00 36.38 32.02 2cup s VAL 89 CO 0.02 0.43 0.04 0.26 -3.33 0.00 0.00 175.10 172.53 2cup s TRP 90 N 1.14 3.29 0.89 1.54 0.52 0.42 -4.17 118.94 122.57 2cup s TRP 90 Ca 0.02 0.29 -0.14 0.00 0.02 0.00 0.00 56.10 56.28 2cup s TRP 90 Cb -0.15 -1.83 -0.02 0.00 -1.15 0.00 0.00 33.47 30.33 2cup s TRP 90 CO 0.00 0.55 0.22 0.72 0.02 0.00 0.00 176.95 178.46 2cup n HIS 91 N 2.03 -1.95 0.30 -1.98 8.25 -1.26 0.16 115.22 120.77 2cup n HIS 91 Ca -0.19 0.22 0.16 0.00 -0.26 0.00 0.00 57.72 57.66 2cup n HIS 91 Cb 0.54 -1.76 0.95 0.00 1.12 0.00 0.00 29.99 30.84 2cup n HIS 91 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2cup h LYS 92 N -1.13 0.00 0.08 -0.41 1.79 -1.83 0.80 116.57 115.86 2cup h LYS 92 Ca -0.44 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 57.71 2cup h LYS 92 Cb 1.31 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.93 2cup h LYS 92 CO 0.35 0.00 -1.77 0.22 -1.08 0.00 0.00 179.45 177.17 2cup h ASP 93 N 0.00 0.25 0.58 0.86 3.58 -1.91 -3.35 116.42 116.43 2cup h ASP 93 Ca 0.00 -0.50 -0.13 0.00 0.42 0.00 0.00 57.03 56.82 2cup h ASP 93 Cb 0.01 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 2cup h ASP 93 CO -0.00 1.44 -0.62 0.00 -2.88 0.00 0.00 179.24 177.17 2cup s PHE 95 N -3.62 3.94 -0.35 0.00 2.19 0.19 -4.82 117.98 115.51 2cup s PHE 95 Ca -0.02 -2.28 0.08 0.00 0.33 0.00 0.00 56.93 55.04 2cup s PHE 95 Cb 0.13 -3.90 0.45 0.00 -1.31 0.00 0.00 43.02 38.39 2cup s PHE 95 CO 0.77 -1.03 1.14 0.45 1.83 0.00 0.00 175.22 178.37 2cup n SER 96 N 3.68 4.34 -0.84 6.13 2.88 -1.26 -4.86 113.62 123.70 2cup n SER 96 Ca 0.21 -3.53 0.05 0.00 -1.33 0.00 0.00 58.87 54.26 2cup n SER 96 Cb 0.43 -0.41 -0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.57 -0.91 3.77 0.46 0.00 -1.26 -4.71 105.19 101.97 2cup n GLY 97 Ca 0.37 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.61 4.37 -0.24 1.61 0.04 -1.26 -5.03 135.00 133.88 2cup s PRO 98 Ca 0.00 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 62.79 2cup s PRO 98 Cb 0.00 -3.03 0.15 0.00 0.04 0.00 0.00 34.50 31.66 2cup s PRO 98 CO 0.00 -0.10 1.14 -1.54 0.04 0.00 0.00 177.00 176.54 2cup s SER 99 N -0.73 -0.29 0.45 6.66 1.04 -1.26 -5.18 113.70 114.39 2cup s SER 99 Ca 0.49 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.38 2cup s SER 99 Cb -0.36 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.18 2cup s SER 99 CO 0.47 -0.18 0.67 -0.55 0.98 0.00 0.00 173.24 174.63 2cup s SER 100 N -0.45 5.83 0.00 7.02 0.15 -1.26 -5.21 113.70 119.79 2cup s SER 100 Ca 0.03 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2cup s SER 100 Cb -0.03 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 2cup s SER 100 CO -0.05 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.30