#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kct h ALA 44 N 0.00 1.02 -2.07 3.17 0.00 -2.11 -3.41 119.26 115.86 2kct h ALA 44 Ca 0.00 -0.10 -0.57 0.00 0.00 0.00 0.00 54.91 54.24 2kct h ALA 44 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2kct h ALA 44 CO 0.00 0.51 1.28 0.99 0.00 0.00 0.00 179.25 182.03 2kct s THR 45 N -5.92 3.31 0.00 0.00 2.01 -1.26 -5.01 115.64 108.76 2kct s THR 45 Ca -0.13 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.21 2kct s THR 45 Cb 0.15 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.34 2kct s THR 45 CO 0.80 -0.15 0.00 -0.81 -0.69 0.00 0.00 174.62 173.77 2kct n PRO 46 N 8.07 3.63 -0.79 4.92 -0.04 -1.26 -4.82 135.00 144.70 2kct n PRO 46 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2kct n PRO 46 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 2kct n PRO 46 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2kct n GLN 47 N 0.00 -0.13 -2.12 0.54 7.27 -1.26 -4.98 117.38 116.70 2kct n GLN 47 Ca 0.00 0.03 -0.31 0.00 0.07 0.00 0.00 57.00 56.79 2kct n GLN 47 Cb 0.00 -3.53 -0.01 0.00 2.41 0.00 0.00 30.24 29.11 2kct n GLN 47 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 2kct s ASP 48 N -2.45 6.40 -0.25 1.69 -4.77 -1.26 -4.99 116.67 111.05 2kct s ASP 48 Ca 0.00 1.47 0.10 0.00 -3.30 0.00 0.00 52.55 50.83 2kct s ASP 48 Cb 0.00 -2.48 0.69 0.00 -1.09 0.00 0.00 42.92 40.04 2kct s ASP 48 CO 0.00 -0.74 1.64 0.29 0.70 0.00 0.00 175.17 177.06 2kct n LYS 49 N -2.22 3.95 -0.11 2.11 5.02 -1.26 -4.36 118.16 121.29 2kct n LYS 49 Ca 0.06 -2.73 0.03 0.00 -2.02 0.00 0.00 58.31 53.65 2kct n LYS 49 Cb 0.54 -2.15 0.09 0.00 -0.02 0.00 0.00 35.03 33.49 2kct n LYS 49 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kct n LEU 50 N 0.24 1.15 -0.06 -0.35 4.77 -1.26 -3.57 117.00 117.92 2kct n LEU 50 Ca 0.30 -0.58 -0.06 0.00 -0.03 0.00 0.00 56.01 55.65 2kct n LEU 50 Cb 1.17 -0.17 0.13 0.00 -2.33 0.00 0.00 43.42 42.22 2kct n LEU 50 CO 0.34 0.26 0.73 -0.74 -1.33 0.00 0.00 177.39 176.65 2kct h HIS 51 N 1.11 0.76 -4.15 -1.77 2.76 -2.02 -3.43 115.15 108.41 2kct h HIS 51 Ca 0.00 -0.16 -0.50 0.00 -2.20 0.00 0.00 60.37 57.50 2kct h HIS 51 Cb 0.32 -0.19 0.09 0.00 1.55 0.00 0.00 27.41 29.18 2kct h HIS 51 CO 0.14 0.83 0.40 0.99 -1.30 0.00 0.00 177.93 179.00 2kct s THR 52 N -4.61 3.23 -0.48 6.26 2.01 -1.23 -5.01 115.64 115.81 2kct s THR 52 Ca -0.08 0.66 -0.17 0.00 0.31 0.00 0.00 61.69 62.40 2kct s THR 52 Cb 0.13 -3.20 0.06 0.00 0.01 0.00 0.00 72.50 69.51 2kct s THR 52 CO 0.82 -0.27 0.51 -0.69 -0.69 0.00 0.00 174.62 174.30 2kct s VAL 53 N -2.09 5.04 -0.13 3.82 1.01 -0.44 -4.96 120.40 122.65 2kct s VAL 53 Ca 0.69 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 2kct s VAL 53 Cb -0.22 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2kct s VAL 53 CO 0.35 -0.67 0.58 -0.60 0.00 0.00 0.00 175.10 174.76 2kct s ARG 54 N 2.19 4.32 -0.05 2.72 6.06 -1.26 -1.90 118.95 131.03 2kct s ARG 54 Ca 0.10 0.61 0.01 0.00 -2.50 0.00 0.00 55.73 53.96 2kct s ARG 54 Cb -0.21 -3.48 0.02 0.00 0.06 0.00 0.00 34.95 31.34 2kct s ARG 54 CO 0.10 0.01 -0.07 -1.17 -2.50 0.00 0.00 175.30 171.67 2kct s LEU 55 N 1.07 1.46 -0.09 -0.88 0.20 -0.89 -5.04 118.68 114.51 2kct s LEU 55 Ca 0.30 -0.18 -0.01 0.00 0.69 0.00 0.00 54.13 54.93 2kct s LEU 55 Cb -0.16 -0.55 -0.03 0.00 -0.43 0.00 0.00 46.19 45.02 2kct s LEU 55 CO 0.12 -0.02 -0.03 -0.36 -0.29 0.00 0.00 176.35 175.77 2kct s PHE 56 N 0.78 3.06 0.00 5.38 0.40 -1.26 -1.58 117.98 124.76 2kct s PHE 56 Ca -0.12 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.29 2kct s PHE 56 Cb -0.14 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.61 2kct s PHE 56 CO 0.01 0.37 0.00 0.41 0.70 0.00 0.00 175.22 176.71 2kct n GLY 57 N 2.31 0.78 3.24 4.36 0.00 -0.86 -3.02 105.19 112.00 2kct n GLY 57 Ca -0.18 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.76 2kct n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kct s THR 58 N -2.20 1.67 -0.20 2.61 2.01 -0.95 -0.95 115.64 117.63 2kct s THR 58 Ca 0.00 -1.10 -0.29 0.00 0.31 0.00 0.00 61.69 60.61 2kct s THR 58 Cb 0.00 -1.43 -0.00 0.00 0.01 0.00 0.00 72.50 71.08 2kct s THR 58 CO 0.00 0.29 1.18 -0.69 -0.69 0.00 0.00 174.62 174.71 2kct s VAL 59 N -0.70 4.43 0.38 3.82 1.01 -0.46 -1.12 120.40 127.76 2kct s VAL 59 Ca 0.08 1.72 -0.26 0.00 0.00 0.00 0.00 61.98 63.51 2kct s VAL 59 Cb -0.09 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 2kct s VAL 59 CO 0.01 -0.19 1.20 0.00 0.00 0.00 0.00 175.10 176.12 2kct s ALA 60 N 3.45 3.24 0.13 5.51 0.00 -0.64 -0.72 121.76 132.74 2kct s ALA 60 Ca 0.50 1.03 -0.13 0.00 0.00 0.00 0.00 51.96 53.37 2kct s ALA 60 Cb -0.19 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 2kct s ALA 60 CO 0.12 -0.53 1.55 0.00 0.00 0.00 0.00 175.76 176.89 2kct h ALA 61 N 2.89 0.59 -2.00 0.00 0.00 -1.89 -3.41 119.26 115.44 2kct h ALA 61 Ca -0.49 -0.32 -0.58 0.00 0.00 0.00 0.00 54.91 53.53 2kct h ALA 61 Cb 1.23 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 2kct h ALA 61 CO 0.63 0.46 0.83 -0.51 0.00 0.00 0.00 179.25 180.66 2kct s ASP 62 N -6.41 6.99 0.00 0.00 1.01 -1.26 -4.30 116.67 112.70 2kct s ASP 62 Ca -0.12 1.17 0.00 0.00 0.71 0.00 0.00 52.55 54.31 2kct s ASP 62 Cb 0.11 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.49 2kct s ASP 62 CO 0.82 -0.80 0.00 0.61 0.21 0.00 0.00 175.17 176.01 2kct n GLY 63 N 3.67 0.71 2.71 0.21 0.00 -1.26 -4.69 105.19 106.54 2kct n GLY 63 Ca 0.12 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 2kct n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kct s LEU 64 N -0.81 1.85 -0.25 0.99 0.20 -1.26 -0.63 118.68 118.76 2kct s LEU 64 Ca 0.00 -1.45 -0.04 0.00 0.69 0.00 0.00 54.13 53.33 2kct s LEU 64 Cb 0.00 -0.76 0.01 0.00 -0.43 0.00 0.00 46.19 45.01 2kct s LEU 64 CO 0.00 -0.40 -0.01 -0.89 -0.29 0.00 0.00 176.35 174.76 2kct s THR 65 N 1.72 3.40 0.24 3.68 2.01 0.07 -5.01 115.64 121.74 2kct s THR 65 Ca 0.08 -0.72 -0.20 0.00 0.31 0.00 0.00 61.69 61.16 2kct s THR 65 Cb -0.17 -2.67 -0.08 0.00 0.01 0.00 0.00 72.50 69.59 2kct s THR 65 CO -0.24 0.25 0.75 -0.04 -0.69 0.00 0.00 174.62 174.65 2kct s MET 66 N 1.44 4.26 -0.12 4.92 -1.94 -1.26 -1.05 119.30 125.54 2kct s MET 66 Ca 0.03 0.89 -0.24 0.00 -1.71 0.00 0.00 55.69 54.66 2kct s MET 66 Cb -0.16 -2.82 -0.03 0.00 2.01 0.00 0.00 34.83 33.83 2kct s MET 66 CO -0.02 0.36 0.77 -0.51 -0.01 0.00 0.00 175.02 175.61 2kct s LEU 67 N -2.09 4.24 -0.10 -0.03 1.43 -0.92 -4.93 118.68 116.28 2kct s LEU 67 Ca 0.45 1.18 -0.06 0.00 -1.03 0.00 0.00 54.13 54.68 2kct s LEU 67 Cb -0.16 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 2kct s LEU 67 CO 0.21 -0.27 0.12 -1.81 0.23 0.00 0.00 176.35 174.83 2kct s ASP 68 N 1.01 6.21 0.00 2.29 1.01 -1.26 -4.35 116.67 121.58 2kct s ASP 68 Ca 0.38 0.41 0.00 0.00 0.71 0.00 0.00 52.55 54.05 2kct s ASP 68 Cb -0.17 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.79 2kct s ASP 68 CO 0.16 0.39 0.00 0.61 0.21 0.00 0.00 175.17 176.54 2kct n GLY 69 N 1.91 0.80 3.63 0.21 0.00 -1.26 -5.00 105.19 105.49 2kct n GLY 69 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 2kct n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kct s ALA 70 N -3.10 -1.91 -0.22 4.61 0.00 -1.26 -5.14 121.76 114.75 2kct s ALA 70 Ca 0.00 1.91 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 2kct s ALA 70 Cb 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 2kct s ALA 70 CO 0.00 -0.27 1.80 -1.25 0.00 0.00 0.00 175.76 176.04 2kct s PRO 71 N 0.24 3.60 0.00 0.00 0.04 -1.26 -4.64 135.00 132.98 2kct s PRO 71 Ca 0.02 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2kct s PRO 71 Cb -0.05 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2kct s PRO 71 CO -0.04 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 175.88 2kct n GLY 72 N 5.03 0.40 3.63 0.56 0.00 -1.20 -1.56 105.19 112.06 2kct n GLY 72 Ca 0.22 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 2kct n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kct s VAL 73 N -2.00 0.00 -0.10 1.61 0.11 0.13 -2.17 120.40 117.98 2kct s VAL 73 Ca 0.00 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 2kct s VAL 73 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2kct s VAL 73 CO 0.00 0.00 -0.02 -0.60 -3.33 0.00 0.00 175.10 171.15 2kct s ARG 74 N 0.60 3.15 0.04 1.54 3.52 -0.22 -1.47 118.95 126.11 2kct s ARG 74 Ca -0.02 -0.46 -0.11 0.00 -0.13 0.00 0.00 55.73 55.01 2kct s ARG 74 Cb -0.05 -2.80 0.01 0.00 -1.56 0.00 0.00 34.95 30.55 2kct s ARG 74 CO -0.03 0.56 0.24 -0.59 -0.81 0.00 0.00 175.30 174.67 2kct s PHE 75 N -0.51 -0.02 -0.70 5.12 -0.71 -0.91 -0.75 117.98 119.49 2kct s PHE 75 Ca 0.08 -0.14 -0.19 0.00 -1.04 0.00 0.00 56.93 55.64 2kct s PHE 75 Cb -0.12 0.03 0.11 0.00 -1.21 0.00 0.00 43.02 41.83 2kct s PHE 75 CO 0.02 -0.45 0.85 0.50 -1.34 0.00 0.00 175.22 174.81 2kct s ARG 76 N -2.42 3.23 0.21 1.99 3.52 0.20 -0.74 118.95 124.95 2kct s ARG 76 Ca -0.06 -1.43 -0.30 0.00 -0.13 0.00 0.00 55.73 53.81 2kct s ARG 76 Cb -0.02 -4.42 -0.08 0.00 -1.56 0.00 0.00 34.95 28.88 2kct s ARG 76 CO -0.03 -1.62 0.99 -1.17 -0.81 0.00 0.00 175.30 172.66 2kct s LEU 77 N 2.71 4.58 -0.35 -0.88 2.96 0.44 -1.62 118.68 126.52 2kct s LEU 77 Ca 0.19 1.99 -0.11 0.00 -0.22 0.00 0.00 54.13 55.98 2kct s LEU 77 Cb -0.17 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.92 2kct s LEU 77 CO 0.02 0.01 0.21 -1.61 -1.32 0.00 0.00 176.35 173.66 2kct s GLU 78 N -0.87 3.16 0.20 1.98 2.02 -0.27 -1.15 118.70 123.76 2kct s GLU 78 Ca 0.44 -0.86 -0.32 0.00 0.02 0.00 0.00 54.97 54.25 2kct s GLU 78 Cb -0.27 -3.72 -0.13 0.00 0.10 0.00 0.00 34.13 30.12 2kct s GLU 78 CO 0.33 -0.55 1.68 -3.47 0.02 0.00 0.00 175.26 173.27 2kct n ASP 79 N 5.03 3.74 0.25 -0.19 -0.08 -1.13 -2.23 116.55 121.94 2kct n ASP 79 Ca -0.13 1.07 0.08 0.00 -1.51 0.00 0.00 54.79 54.31 2kct n ASP 79 Cb 0.48 -1.53 0.61 0.00 2.34 0.00 0.00 41.12 43.02 2kct n ASP 79 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2kct h LYS 80 N 6.41 0.00 0.03 -0.67 2.10 -1.91 -2.54 116.57 119.99 2kct h LYS 80 Ca -0.44 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.88 2kct h LYS 80 Cb 1.22 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.50 2kct h LYS 80 CO 0.93 0.12 -1.97 -0.25 -2.00 0.00 0.00 179.45 176.28 2kct n ASP 81 N -4.20 1.13 -3.53 7.07 8.00 -1.26 -4.82 116.55 118.94 2kct n ASP 81 Ca -0.03 0.24 -0.29 0.00 0.71 0.00 0.00 54.79 55.43 2kct n ASP 81 Cb 0.20 -0.11 -0.14 0.00 -0.02 0.00 0.00 41.12 41.05 2kct n ASP 81 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2kct s ASN 82 N -6.26 3.34 0.39 -2.24 3.04 -0.97 -4.98 114.94 107.25 2kct s ASN 82 Ca -0.13 -1.72 0.28 0.00 0.04 0.00 0.00 52.86 51.34 2kct s ASN 82 Cb 0.07 -0.42 1.22 0.00 -1.54 0.00 0.00 41.25 40.58 2kct s ASN 82 CO 0.79 -0.38 1.84 0.00 -3.04 0.00 0.00 177.10 176.32 2kct h THR 83 N 5.81 0.00 -0.29 -5.21 1.03 -1.84 -2.53 112.91 109.87 2kct h THR 83 Ca -0.08 -0.30 0.09 0.00 -0.01 0.00 0.00 66.41 66.10 2kct h THR 83 Cb 0.99 1.12 -0.01 0.00 -1.07 0.00 0.00 68.15 69.18 2kct h THR 83 CO 0.37 0.00 0.27 0.28 -0.01 0.00 0.00 175.52 176.43 2kct h SER 84 N 0.00 0.00 -3.48 0.00 0.02 -1.94 -3.20 113.55 104.95 2kct h SER 84 Ca 0.00 0.00 -0.79 0.00 -0.84 0.00 0.00 61.79 60.16 2kct h SER 84 Cb 0.37 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.64 2kct h SER 84 CO 0.00 0.00 0.46 -0.54 -1.14 0.00 0.00 176.83 175.61 2kct s LYS 85 N -4.76 4.05 -0.64 3.45 1.02 -0.95 -4.98 119.74 116.93 2kct s LYS 85 Ca -0.05 -2.97 -0.22 0.00 0.02 0.00 0.00 55.97 52.75 2kct s LYS 85 Cb 0.17 -4.58 0.08 0.00 -0.52 0.00 0.00 37.83 32.98 2kct s LYS 85 CO 0.60 -1.31 0.89 0.95 -0.92 0.00 0.00 175.35 175.57 2kct s THR 86 N -0.64 4.46 -0.08 2.17 -4.23 -1.21 -2.84 115.64 113.28 2kct s THR 86 Ca 0.29 -0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 60.22 2kct s THR 86 Cb -0.09 -4.63 -0.04 0.00 1.34 0.00 0.00 72.50 69.08 2kct s THR 86 CO -0.08 -1.37 0.09 -0.69 -0.54 0.00 0.00 174.62 172.04 2kct s VAL 87 N 3.68 5.00 0.17 2.29 1.01 -0.30 -4.86 120.40 127.39 2kct s VAL 87 Ca 0.19 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 2kct s VAL 87 Cb -0.19 -3.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 2kct s VAL 87 CO 0.09 0.53 0.98 0.26 0.00 0.00 0.00 175.10 176.96 2kct s TRP 88 N -1.05 3.83 -0.17 5.22 0.52 -1.26 -0.42 118.94 125.61 2kct s TRP 88 Ca 0.17 1.81 0.01 0.00 0.02 0.00 0.00 56.10 58.11 2kct s TRP 88 Cb -0.12 -3.07 0.03 0.00 -1.15 0.00 0.00 33.47 29.16 2kct s TRP 88 CO 0.07 0.16 -0.14 0.08 0.02 0.00 0.00 176.95 177.14 2kct s VAL 89 N -0.44 1.71 -0.83 4.03 1.01 0.09 -0.95 120.40 125.01 2kct s VAL 89 Ca 0.45 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 2kct s VAL 89 Cb -0.25 -1.64 0.14 0.00 0.00 0.00 0.00 36.38 34.64 2kct s VAL 89 CO 0.31 0.39 0.96 -0.22 0.00 0.00 0.00 175.10 176.55 2kct s LEU 90 N 1.41 5.48 -0.33 3.92 2.96 0.55 -2.15 118.68 130.52 2kct s LEU 90 Ca 0.03 -2.04 -0.17 0.00 -0.22 0.00 0.00 54.13 51.73 2kct s LEU 90 Cb -0.14 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 2kct s LEU 90 CO -0.10 -0.98 0.46 -0.47 -1.32 0.00 0.00 176.35 173.94 2kct s TYR 91 N 2.16 3.20 0.01 5.38 5.04 -0.54 -1.46 117.35 131.14 2kct s TYR 91 Ca 0.25 0.20 0.04 0.00 -2.44 0.00 0.00 57.07 55.12 2kct s TYR 91 Cb -0.10 -2.81 -0.03 0.00 0.35 0.00 0.00 41.96 39.37 2kct s TYR 91 CO -0.06 -0.46 -0.10 0.15 -1.34 0.00 0.00 175.55 173.75 2kct s LYS 92 N 2.26 2.42 0.00 4.97 1.02 -1.25 -0.69 119.74 128.47 2kct s LYS 92 Ca 0.17 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.37 2kct s LYS 92 Cb -0.16 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 2kct s LYS 92 CO 0.12 0.59 0.00 0.41 -0.92 0.00 0.00 175.35 175.55 2kct n GLY 93 N 1.59 0.62 3.61 -3.33 0.00 -0.60 -4.89 105.19 102.19 2kct n GLY 93 Ca -0.16 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 2kct n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kct s ALA 94 N -1.46 2.95 -0.15 4.61 0.00 -1.26 -3.21 121.76 123.24 2kct s ALA 94 Ca 0.00 0.49 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 2kct s ALA 94 Cb 0.00 -3.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.12 2kct s ALA 94 CO 0.00 -2.49 1.03 0.08 0.00 0.00 0.00 175.76 174.39 2kct s VAL 95 N 6.79 4.71 0.46 0.00 1.01 -1.26 -5.02 120.40 127.09 2kct s VAL 95 Ca 0.84 2.01 -0.23 0.00 0.00 0.00 0.00 61.98 64.59 2kct s VAL 95 Cb -0.27 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 31.75 2kct s VAL 95 CO 0.34 -0.06 1.21 -2.16 0.00 0.00 0.00 175.10 174.43 2kct s PRO 96 N 2.45 3.72 0.40 2.72 0.04 -1.26 -4.93 135.00 138.14 2kct s PRO 96 Ca 0.47 1.89 0.29 0.00 0.04 0.00 0.00 61.00 63.70 2kct s PRO 96 Cb -0.18 -2.45 1.31 0.00 0.04 0.00 0.00 34.50 33.22 2kct s PRO 96 CO 0.14 -0.62 1.86 -0.44 0.04 0.00 0.00 177.00 177.98 2kct h ASP 97 N 2.09 0.00 1.64 6.66 3.32 -1.99 -2.12 116.42 126.02 2kct h ASP 97 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2kct h ASP 97 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2kct h ASP 97 CO 0.60 0.00 0.00 0.71 -1.72 0.00 0.00 179.24 178.83 2kct h THR 98 N 0.00 0.00 -2.87 0.35 1.35 -1.92 -3.45 112.91 106.37 2kct h THR 98 Ca 0.00 -0.81 -0.54 0.00 -0.55 0.00 0.00 66.41 64.51 2kct h THR 98 Cb 0.28 1.81 0.01 0.00 -1.73 0.00 0.00 68.15 68.53 2kct h THR 98 CO 0.00 0.00 0.85 0.12 -0.25 0.00 0.00 175.52 176.24 2kct s PHE 99 N -3.37 2.85 0.21 4.73 5.36 -0.80 -4.11 117.98 122.86 2kct s PHE 99 Ca 0.05 0.71 -0.18 0.00 -0.96 0.00 0.00 56.93 56.55 2kct s PHE 99 Cb 0.07 -3.76 0.02 0.00 -0.34 0.00 0.00 43.02 39.01 2kct s PHE 99 CO 0.62 -2.86 0.55 -1.59 -1.46 0.00 0.00 175.22 170.49 2kct s LYS 100 N 2.06 1.45 -0.28 10.12 -2.85 -1.26 -5.01 119.74 123.97 2kct s LYS 100 Ca 0.67 -0.91 -0.29 0.00 -1.00 0.00 0.00 55.97 54.44 2kct s LYS 100 Cb -0.36 0.53 -0.02 0.00 -2.06 0.00 0.00 37.83 35.93 2kct s LYS 100 CO 0.29 -0.62 1.59 -1.25 0.10 0.00 0.00 175.35 175.45 2kct s PRO 101 N -3.89 3.67 0.00 1.78 0.04 -1.26 -3.32 135.00 132.02 2kct s PRO 101 Ca 0.11 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2kct s PRO 101 Cb -0.02 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.47 2kct s PRO 101 CO -0.01 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.00 2kct n GLY 102 N 4.86 1.21 3.79 0.56 0.00 0.11 -4.83 105.19 110.88 2kct n GLY 102 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2kct n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kct s VAL 103 N -2.00 4.35 -0.38 1.61 0.11 -1.21 -4.75 120.40 118.12 2kct s VAL 103 Ca 0.00 1.66 -0.29 0.00 -2.93 0.00 0.00 61.98 60.43 2kct s VAL 103 Cb 0.00 -4.05 0.01 0.00 -1.53 0.00 0.00 36.38 30.80 2kct s VAL 103 CO 0.00 0.34 1.40 -1.61 -3.33 0.00 0.00 175.10 171.90 2kct s GLU 104 N -1.61 3.64 0.14 1.54 2.02 -1.26 -1.36 118.70 121.81 2kct s GLU 104 Ca 0.42 1.03 0.05 0.00 0.02 0.00 0.00 54.97 56.48 2kct s GLU 104 Cb -0.21 -4.00 -0.04 0.00 0.10 0.00 0.00 34.13 29.99 2kct s GLU 104 CO 0.25 -1.48 0.12 0.14 0.02 0.00 0.00 175.26 174.31 2kct s VAL 105 N 5.25 4.49 -0.29 2.63 -7.23 -0.12 -1.33 120.40 123.80 2kct s VAL 105 Ca 0.61 -1.00 0.03 0.00 -1.81 0.00 0.00 61.98 59.80 2kct s VAL 105 Cb -0.15 -3.26 0.08 0.00 0.56 0.00 0.00 36.38 33.62 2kct s VAL 105 CO 0.31 -0.05 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.40 2kct s ILE 106 N -1.65 1.97 0.14 -0.62 1.01 0.14 -2.04 121.20 120.15 2kct s ILE 106 Ca 0.30 -1.79 0.03 0.00 0.00 0.00 0.00 60.65 59.19 2kct s ILE 106 Cb -0.11 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2kct s ILE 106 CO 0.23 -0.30 0.23 0.27 0.00 0.00 0.00 174.94 175.37 2kct s ILE 107 N 1.13 5.12 -0.04 2.92 -4.36 -0.61 -1.87 121.20 123.49 2kct s ILE 107 Ca 0.00 -0.73 -0.02 0.00 -0.26 0.00 0.00 60.65 59.64 2kct s ILE 107 Cb -0.19 -3.61 0.03 0.00 1.25 0.00 0.00 42.46 39.94 2kct s ILE 107 CO -0.08 -0.05 0.07 -0.70 0.24 0.00 0.00 174.94 174.41 2kct s GLU 108 N -3.07 -0.05 0.00 0.37 2.12 -0.75 -2.10 118.70 115.22 2kct s GLU 108 Ca 0.34 0.35 0.00 0.00 0.36 0.00 0.00 54.97 56.01 2kct s GLU 108 Cb -0.11 -0.40 0.00 0.00 0.26 0.00 0.00 34.13 33.88 2kct s GLU 108 CO 0.27 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 2kct n GLY 109 N 4.94 -0.25 3.65 -1.50 0.00 -0.80 0.15 105.19 111.39 2kct n GLY 109 Ca -0.11 0.43 -0.03 0.00 0.00 0.00 0.00 46.02 46.30 2kct n GLY 109 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kct s GLY 110 N 0.00 -0.33 -0.02 -0.02 0.00 -0.93 -1.32 107.32 104.70 2kct s GLY 110 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.34 2kct s GLY 110 CO 0.00 0.16 -0.01 -2.27 0.00 0.00 0.00 173.10 170.98 2kct s LEU 111 N -2.77 1.53 -0.08 0.66 2.96 -1.26 -1.44 118.68 118.27 2kct s LEU 111 Ca 0.11 -0.02 -0.22 0.00 -0.22 0.00 0.00 54.13 53.77 2kct s LEU 111 Cb 0.00 -0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.50 2kct s LEU 111 CO -0.02 -0.05 0.66 0.00 -1.32 0.00 0.00 176.35 175.62 2kct s ALA 112 N 0.54 3.37 -0.86 5.97 0.00 -1.26 -4.99 121.76 124.54 2kct s ALA 112 Ca -0.05 0.06 -0.26 0.00 0.00 0.00 0.00 51.96 51.71 2kct s ALA 112 Cb -0.08 -2.91 -0.15 0.00 0.00 0.00 0.00 23.12 19.98 2kct s ALA 112 CO -0.01 -0.11 2.32 -2.14 0.00 0.00 0.00 175.76 175.81 2kct s PRO 113 N 0.84 1.59 0.00 0.00 0.02 -1.26 -0.58 135.00 135.61 2kct s PRO 113 Ca 0.35 0.25 0.00 0.00 0.02 0.00 0.00 61.00 61.62 2kct s PRO 113 Cb -0.17 -4.84 0.00 0.00 0.02 0.00 0.00 34.50 29.50 2kct s PRO 113 CO 0.16 -4.58 0.00 0.41 -0.33 0.00 0.00 177.00 172.66 2kct n GLY 114 N 6.69 3.22 3.78 0.52 0.00 -1.26 -5.13 105.19 113.01 2kct n GLY 114 Ca 0.45 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2kct n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kct s GLU 115 N 0.00 3.68 -0.12 1.61 2.12 0.26 -5.01 118.70 121.23 2kct s GLU 115 Ca 0.00 1.64 -0.17 0.00 0.36 0.00 0.00 54.97 56.80 2kct s GLU 115 Cb 0.00 -2.25 -0.26 0.00 0.26 0.00 0.00 34.13 31.88 2kct s GLU 115 CO 0.00 -0.59 0.50 0.22 -0.54 0.00 0.00 175.26 174.85 2kct h ASP 116 N 1.76 0.29 -3.35 -1.70 3.58 -1.96 -3.44 116.42 111.60 2kct h ASP 116 Ca -0.49 -0.81 -0.65 0.00 0.42 0.00 0.00 57.03 55.50 2kct h ASP 116 Cb 1.25 -0.09 -0.21 0.00 1.72 0.00 0.00 39.33 41.99 2kct h ASP 116 CO 0.59 1.57 -0.67 0.28 -2.88 0.00 0.00 179.24 178.12 2kct s THR 117 N -2.44 3.84 -0.31 2.25 -1.32 -1.26 -4.34 115.64 112.05 2kct s THR 117 Ca -0.21 -0.39 -0.29 0.00 -1.21 0.00 0.00 61.69 59.59 2kct s THR 117 Cb 0.04 -2.66 0.01 0.00 -1.51 0.00 0.00 72.50 68.38 2kct s THR 117 CO 0.73 0.52 1.25 0.12 -2.21 0.00 0.00 174.62 175.03 2kct s PHE 118 N 0.13 2.77 -0.82 9.09 2.19 -0.13 -4.71 117.98 126.50 2kct s PHE 118 Ca -0.01 0.92 -0.24 0.00 0.33 0.00 0.00 56.93 57.93 2kct s PHE 118 Cb -0.14 -3.89 0.06 0.00 -1.31 0.00 0.00 43.02 37.74 2kct s PHE 118 CO 0.03 -1.53 1.24 0.15 1.83 0.00 0.00 175.22 176.95 2kct s LYS 119 N 4.08 3.32 -0.42 10.12 1.02 -0.52 -0.33 119.74 137.01 2kct s LYS 119 Ca 0.54 -0.77 -0.27 0.00 0.02 0.00 0.00 55.97 55.49 2kct s LYS 119 Cb -0.15 -4.59 0.02 0.00 -0.52 0.00 0.00 37.83 32.59 2kct s LYS 119 CO 0.22 -2.05 0.98 0.00 -0.92 0.00 0.00 175.35 173.57 2kct s ALA 120 N 4.84 3.30 0.23 5.17 0.00 -0.54 -2.19 121.76 132.58 2kct s ALA 120 Ca 0.35 -0.55 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 2kct s ALA 120 Cb -0.07 -3.66 0.22 0.00 0.00 0.00 0.00 23.12 19.61 2kct s ALA 120 CO 0.05 -1.89 1.91 -0.09 0.00 0.00 0.00 175.76 175.73 2kct h ARG 121 N 8.82 1.21 -4.63 0.00 2.43 -0.60 -3.33 114.38 118.28 2kct h ARG 121 Ca -0.23 -0.08 -0.29 0.00 -0.81 0.00 0.00 59.98 58.57 2kct h ARG 121 Cb 1.07 -0.27 -0.22 0.00 -0.42 0.00 0.00 29.97 30.14 2kct h ARG 121 CO 1.03 0.81 -0.74 0.99 -1.51 0.00 0.00 179.97 180.55 2kct s THR 122 N -6.10 0.59 -0.00 0.20 2.01 -0.37 -4.90 115.64 107.07 2kct s THR 122 Ca -0.13 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.84 2kct s THR 122 Cb 0.17 -0.64 -0.00 0.00 0.01 0.00 0.00 72.50 72.03 2kct s THR 122 CO 0.81 -0.33 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.15 2kct s LEU 123 N -1.50 2.01 -0.24 4.42 2.96 -1.26 -1.81 118.68 123.27 2kct s LEU 123 Ca -0.08 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.71 2kct s LEU 123 Cb -0.09 -0.18 0.13 0.00 0.50 0.00 0.00 46.19 46.55 2kct s LEU 123 CO 0.01 0.04 0.42 -0.32 -1.32 0.00 0.00 176.35 175.17 2kct s MET 124 N -0.13 0.38 -0.05 1.98 -2.45 -0.78 -5.01 119.30 113.23 2kct s MET 124 Ca 0.01 0.71 -0.30 0.00 -1.25 0.00 0.00 55.69 54.86 2kct s MET 124 Cb -0.02 -0.17 -0.04 0.00 1.25 0.00 0.00 34.83 35.85 2kct s MET 124 CO -0.00 -0.56 1.31 0.95 1.05 0.00 0.00 175.02 177.76 2kct s THR 125 N 2.61 4.02 0.05 10.11 -4.23 -1.26 -0.68 115.64 126.26 2kct s THR 125 Ca 0.11 1.35 -0.02 0.00 -1.18 0.00 0.00 61.69 61.95 2kct s THR 125 Cb -0.15 -3.87 -0.27 0.00 1.34 0.00 0.00 72.50 69.56 2kct s THR 125 CO -0.16 -0.02 1.05 0.50 -0.54 0.00 0.00 174.62 175.45 2kct h LYS 126 N 7.79 0.21 -3.98 3.99 1.63 -1.55 -3.38 116.57 121.29 2kct h LYS 126 Ca -0.35 -0.37 -0.78 0.00 -0.85 0.00 0.00 60.65 58.31 2kct h LYS 126 Cb 1.16 0.14 -0.25 0.00 -0.60 0.00 0.00 32.23 32.68 2kct h LYS 126 CO 0.90 1.12 0.10 0.00 -3.45 0.00 0.00 179.45 178.13 2kct s PRO 128 N 0.63 4.39 -0.84 0.00 0.04 -1.26 -4.75 135.00 133.20 2kct s PRO 128 Ca 0.16 1.91 -0.25 0.00 0.04 0.00 0.00 61.00 62.86 2kct s PRO 128 Cb -0.13 -2.99 -0.07 0.00 0.04 0.00 0.00 34.50 31.35 2kct s PRO 128 CO -0.07 -0.05 2.06 -1.17 0.04 0.00 0.00 177.00 177.81 2kct s LEU 129 N -1.87 3.11 0.00 -3.56 0.20 -1.26 -5.10 118.68 110.21 2kct s LEU 129 Ca 0.50 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.94 2kct s LEU 129 Cb -0.33 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.87 2kct s LEU 129 CO 0.43 -2.98 0.00 1.21 -0.29 0.00 0.00 176.35 174.72