#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcp s ASP 2 N 0.00 3.74 -0.51 1.61 -4.77 -1.26 -5.06 116.67 110.41 2kcp s ASP 2 Ca 0.00 0.07 0.01 0.00 -3.30 0.00 0.00 52.55 49.33 2kcp s ASP 2 Cb 0.00 -0.30 0.13 0.00 -1.09 0.00 0.00 42.92 41.66 2kcp s ASP 2 CO 0.00 -2.30 0.28 -0.13 0.70 0.00 0.00 175.17 173.71 2kcp s ARG 3 N -5.56 2.09 -0.15 2.11 1.81 -1.26 -5.08 118.95 112.91 2kcp s ARG 3 Ca 0.70 -2.40 -0.24 0.00 -1.72 0.00 0.00 55.73 52.07 2kcp s ARG 3 Cb -0.05 -3.46 -0.02 0.00 -0.45 0.00 0.00 34.95 30.96 2kcp s ARG 3 CO 0.49 -1.10 0.74 0.50 -0.68 0.00 0.00 175.30 175.25 2kcp s ARG 4 N 0.11 4.31 -0.01 3.54 3.52 -1.26 -5.05 118.95 124.12 2kcp s ARG 4 Ca 0.15 0.87 -0.24 0.00 -0.13 0.00 0.00 55.73 56.38 2kcp s ARG 4 Cb -0.23 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.58 2kcp s ARG 4 CO -0.03 -0.20 0.73 0.54 -0.81 0.00 0.00 175.30 175.54 2kcp s VAL 5 N 1.71 4.89 -0.46 7.11 0.11 -1.26 -5.02 120.40 127.48 2kcp s VAL 5 Ca 0.36 1.54 -0.29 0.00 -2.93 0.00 0.00 61.98 60.65 2kcp s VAL 5 Cb -0.17 -4.08 0.03 0.00 -1.53 0.00 0.00 36.38 30.63 2kcp s VAL 5 CO 0.13 0.31 1.19 0.00 -3.33 0.00 0.00 175.10 173.40 2kcp s ARG 6 N 0.35 3.71 0.25 1.54 1.70 -1.26 -4.88 118.95 120.35 2kcp s ARG 6 Ca 0.38 0.65 0.18 0.00 -0.47 0.00 0.00 55.73 56.47 2kcp s ARG 6 Cb -0.19 -3.92 0.06 0.00 -0.57 0.00 0.00 34.95 30.33 2kcp s ARG 6 CO 0.21 -1.40 1.28 1.25 -1.08 0.00 0.00 175.30 175.56 2kcp h LEU 7 N 11.36 0.00 -9.20 -1.89 5.85 -2.06 -3.46 115.31 115.91 2kcp h LEU 7 Ca -0.24 0.00 -0.70 0.00 0.84 0.00 0.00 57.88 57.78 2kcp h LEU 7 Cb 1.07 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.12 2kcp h LEU 7 CO 1.12 0.36 0.89 0.00 -0.34 0.00 0.00 178.44 180.47 2kcp n ILE 8 N -3.05 0.32 -3.60 4.05 3.06 -1.26 -4.95 119.36 113.93 2kcp n ILE 8 Ca -0.01 -0.06 -0.13 0.00 -2.50 0.00 0.00 62.75 60.06 2kcp n ILE 8 Cb 0.70 -1.33 -0.06 0.00 0.54 0.00 0.00 39.64 39.49 2kcp n ILE 8 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2kcp s ARG 9 N 3.22 0.73 0.17 9.51 1.70 -1.26 -5.19 118.95 127.83 2kcp s ARG 9 Ca 0.95 0.52 0.02 0.00 -0.47 0.00 0.00 55.73 56.75 2kcp s ARG 9 Cb -0.96 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 33.72 2kcp s ARG 9 CO 0.60 -0.16 -0.02 0.95 -1.08 0.00 0.00 175.30 175.59 2kcp s THR 10 N -0.36 0.75 -0.07 4.99 -4.23 -1.26 -5.09 115.64 110.36 2kcp s THR 10 Ca -0.02 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 2kcp s THR 10 Cb -0.03 -2.06 -0.07 0.00 1.34 0.00 0.00 72.50 71.69 2kcp s THR 10 CO 0.01 -0.54 0.39 -0.09 -0.54 0.00 0.00 174.62 173.85 2kcp h ARG 11 N 2.72 -0.22 -5.75 3.99 2.43 -2.05 -3.48 114.38 112.01 2kcp h ARG 11 Ca -0.37 0.02 -0.35 0.00 -0.81 0.00 0.00 59.98 58.47 2kcp h ARG 11 Cb 1.20 0.05 0.14 0.00 -0.42 0.00 0.00 29.97 30.95 2kcp h ARG 11 CO 0.63 -0.05 -0.78 0.41 -1.51 0.00 0.00 179.97 178.68 2kcp n GLY 12 N 1.11 -0.35 3.56 2.80 0.00 -1.26 -5.01 105.19 106.04 2kcp n GLY 12 Ca -0.04 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 2kcp n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kcp s GLY 13 N -4.32 0.09 -0.21 -0.02 0.00 -1.26 -5.16 107.32 96.44 2kcp s GLY 13 Ca 0.02 -0.43 -0.07 0.00 0.00 0.00 0.00 44.72 44.25 2kcp s GLY 13 CO 0.75 -0.37 0.43 0.21 0.00 0.00 0.00 173.10 174.12 2kcp s ASN 14 N -2.92 -0.28 0.61 1.64 3.84 -1.26 -5.17 114.94 111.40 2kcp s ASN 14 Ca 0.13 0.98 -0.13 0.00 0.21 0.00 0.00 52.86 54.04 2kcp s ASN 14 Cb -0.01 1.39 -0.04 0.00 -0.55 0.00 0.00 41.25 42.05 2kcp s ASN 14 CO 0.01 -0.24 1.03 0.28 -2.79 0.00 0.00 177.10 175.40 2kcp s THR 15 N 2.63 4.27 0.49 -5.21 -1.32 -1.26 -5.08 115.64 110.15 2kcp s THR 15 Ca -0.01 0.90 0.07 0.00 -1.21 0.00 0.00 61.69 61.44 2kcp s THR 15 Cb -0.12 -3.59 0.07 0.00 -1.51 0.00 0.00 72.50 67.34 2kcp s THR 15 CO -0.13 -0.81 0.54 0.29 -2.21 0.00 0.00 174.62 172.30 2kcp n LYS 16 N -2.39 0.72 -1.72 7.08 5.02 -1.26 -4.98 118.16 120.62 2kcp n LYS 16 Ca 0.07 -2.79 -0.18 0.00 -2.02 0.00 0.00 58.31 53.39 2kcp n LYS 16 Cb 0.54 0.02 -0.09 0.00 -0.02 0.00 0.00 35.03 35.47 2kcp n LYS 16 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kcp s VAL 17 N -2.19 3.16 0.07 -0.18 0.11 -1.26 -4.84 120.40 115.26 2kcp s VAL 17 Ca 0.41 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 2kcp s VAL 17 Cb -0.03 -3.86 0.00 0.00 -1.53 0.00 0.00 36.38 30.95 2kcp s VAL 17 CO 0.26 -0.30 0.00 0.54 -3.33 0.00 0.00 175.10 172.27 2kcp n ARG 18 N 8.42 -0.62 -2.61 1.54 1.74 -1.26 -4.65 116.66 119.21 2kcp n ARG 18 Ca 0.43 0.41 -0.42 0.00 -0.77 0.00 0.00 57.85 57.50 2kcp n ARG 18 Cb 0.46 -0.76 -0.03 0.00 -1.02 0.00 0.00 32.46 31.12 2kcp n ARG 18 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2kcp s LEU 19 N 0.00 4.33 0.00 0.55 0.20 -1.25 -4.84 118.68 117.66 2kcp s LEU 19 Ca 0.00 1.72 0.00 0.00 0.69 0.00 0.00 54.13 56.54 2kcp s LEU 19 Cb 0.00 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.19 2kcp s LEU 19 CO 0.00 -0.39 0.00 0.00 -0.29 0.00 0.00 176.35 175.67 2kcp n ALA 20 N 4.38 0.51 0.03 5.97 0.00 -1.26 -4.94 120.51 125.20 2kcp n ALA 20 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 2kcp n ALA 20 Cb 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.81 2kcp n ALA 20 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2kcp h SER 21 N 0.00 0.04 -2.71 0.00 0.02 -1.95 -3.41 113.55 105.55 2kcp h SER 21 Ca 0.00 -0.06 -0.70 0.00 -0.84 0.00 0.00 61.79 60.19 2kcp h SER 21 Cb 0.00 -0.01 -0.19 0.00 0.14 0.00 0.00 62.40 62.34 2kcp h SER 21 CO 0.00 1.05 0.61 -0.62 -1.14 0.00 0.00 176.83 176.72 2kcp s ASP 22 N -6.53 6.55 -0.37 3.07 2.15 -1.26 -5.02 116.67 115.27 2kcp s ASP 22 Ca -0.02 -1.97 -0.16 0.00 0.43 0.00 0.00 52.55 50.83 2kcp s ASP 22 Cb 0.09 -2.36 -0.00 0.00 -0.30 0.00 0.00 42.92 40.35 2kcp s ASP 22 CO 0.83 -1.03 0.37 -0.89 -0.17 0.00 0.00 175.17 174.28 2kcp s THR 23 N 2.42 5.16 -0.06 1.71 2.01 -1.26 -4.63 115.64 120.99 2kcp s THR 23 Ca 0.27 -0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 2kcp s THR 23 Cb -0.09 -3.88 0.11 0.00 0.01 0.00 0.00 72.50 68.65 2kcp s THR 23 CO -0.06 -0.19 0.90 -0.60 -0.69 0.00 0.00 174.62 173.98 2kcp s ARG 24 N 2.02 0.78 0.01 4.92 3.52 -1.26 -4.18 118.95 124.75 2kcp s ARG 24 Ca 0.11 -0.10 0.03 0.00 -0.13 0.00 0.00 55.73 55.64 2kcp s ARG 24 Cb -0.17 0.36 -0.01 0.00 -1.56 0.00 0.00 34.95 33.57 2kcp s ARG 24 CO 0.12 -0.30 -0.09 -1.50 -0.81 0.00 0.00 175.30 172.72 2kcp s ILE 25 N -2.27 0.69 -0.60 4.11 2.07 0.65 -4.69 121.20 121.15 2kcp s ILE 25 Ca 0.01 -0.59 -0.28 0.00 -1.41 0.00 0.00 60.65 58.39 2kcp s ILE 25 Cb -0.01 -0.62 0.01 0.00 0.13 0.00 0.00 42.46 41.98 2kcp s ILE 25 CO -0.04 0.04 1.42 0.20 -1.91 0.00 0.00 174.94 174.65 2kcp s ASN 26 N -0.61 6.07 -0.21 4.50 0.02 0.66 -0.76 114.94 124.61 2kcp s ASN 26 Ca 0.00 0.13 -0.07 0.00 -1.02 0.00 0.00 52.86 51.90 2kcp s ASN 26 Cb -0.05 -2.55 -0.04 0.00 0.02 0.00 0.00 41.25 38.64 2kcp s ASN 26 CO 0.00 -1.79 0.07 -0.69 0.02 0.00 0.00 177.10 174.71 2kcp s VAL 27 N 6.23 4.58 -0.29 1.60 1.01 0.13 -0.37 120.40 133.29 2kcp s VAL 27 Ca 0.50 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 2kcp s VAL 27 Cb -0.10 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2kcp s VAL 27 CO 0.23 0.40 0.40 -0.69 0.00 0.00 0.00 175.10 175.43 2kcp s VAL 28 N 0.96 5.15 -0.35 2.92 1.01 0.49 -0.61 120.40 129.97 2kcp s VAL 28 Ca 0.04 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 2kcp s VAL 28 Cb -0.14 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.49 2kcp s VAL 28 CO 0.03 0.06 1.34 -0.62 0.00 0.00 0.00 175.10 175.91 2kcp s ASP 29 N 1.67 6.52 0.22 3.32 -1.08 0.34 -1.05 116.67 126.61 2kcp s ASP 29 Ca 0.15 1.02 0.26 0.00 -0.52 0.00 0.00 52.55 53.45 2kcp s ASP 29 Cb -0.16 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.62 2kcp s ASP 29 CO 0.11 -1.24 1.76 -0.81 0.52 0.00 0.00 175.17 175.51 2kcp n PRO 30 N 7.67 0.24 -0.00 4.34 -0.04 -1.26 0.02 135.00 145.96 2kcp n PRO 30 Ca 0.15 0.26 -0.22 0.00 -0.04 0.00 0.00 63.50 63.66 2kcp n PRO 30 Cb 0.47 -1.81 -0.14 0.00 -0.04 0.00 0.00 33.50 31.98 2kcp n PRO 30 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kcp h GLU 31 N 0.00 0.23 0.00 0.54 4.39 -1.90 -3.39 114.58 114.45 2kcp h GLU 31 Ca 0.00 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2kcp h GLU 31 Cb 0.64 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2kcp h GLU 31 CO 0.00 1.19 -1.18 0.25 -1.16 0.00 0.00 179.01 178.12 2kcp n THR 32 N -3.81 0.00 -1.01 1.13 -2.24 -1.25 -5.02 114.28 102.08 2kcp n THR 32 Ca -0.28 -0.25 -0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2kcp n THR 32 Cb 0.94 0.56 -0.00 0.00 -2.10 0.00 0.00 70.33 69.73 2kcp n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kcp n GLY 33 N 1.53 0.43 3.93 3.38 0.00 0.10 -5.05 105.19 109.51 2kcp n GLY 33 Ca -0.00 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 2kcp n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kcp s LYS 34 N -1.72 3.51 -0.36 1.61 -2.85 -1.21 -4.83 119.74 113.88 2kcp s LYS 34 Ca 0.00 -0.17 -0.09 0.00 -1.00 0.00 0.00 55.97 54.72 2kcp s LYS 34 Cb 0.00 -2.59 0.04 0.00 -2.06 0.00 0.00 37.83 33.22 2kcp s LYS 34 CO 0.00 0.06 0.17 0.08 0.10 0.00 0.00 175.35 175.76 2kcp s VAL 35 N -2.41 4.14 -0.01 1.79 1.01 -1.26 -0.50 120.40 123.16 2kcp s VAL 35 Ca 0.42 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.39 2kcp s VAL 35 Cb -0.10 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2kcp s VAL 35 CO 0.38 -0.25 -0.20 -0.70 0.00 0.00 0.00 175.10 174.33 2kcp s GLU 36 N 1.46 2.21 -0.46 2.72 2.56 0.22 -4.96 118.70 122.45 2kcp s GLU 36 Ca 0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 54.97 53.95 2kcp s GLU 36 Cb -0.20 -2.19 0.06 0.00 2.00 0.00 0.00 34.13 33.81 2kcp s GLU 36 CO 0.04 0.57 0.38 0.42 -0.56 0.00 0.00 175.26 176.12 2kcp s ILE 37 N -0.75 5.23 0.15 -3.70 1.01 -1.26 0.19 121.20 122.08 2kcp s ILE 37 Ca 0.12 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 2kcp s ILE 37 Cb -0.10 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 2kcp s ILE 37 CO 0.01 -0.54 0.34 0.00 0.00 0.00 0.00 174.94 174.76 2kcp s ALA 38 N 1.65 3.86 -0.13 9.38 0.00 0.06 -4.78 121.76 131.80 2kcp s ALA 38 Ca 0.04 -0.74 -0.23 0.00 0.00 0.00 0.00 51.96 51.03 2kcp s ALA 38 Cb -0.23 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 2kcp s ALA 38 CO 0.07 0.61 0.72 -1.21 0.00 0.00 0.00 175.76 175.95 2kcp s GLU 39 N -2.91 4.34 -0.39 0.00 2.02 -1.26 -0.25 118.70 120.24 2kcp s GLU 39 Ca 0.39 0.85 -0.26 0.00 0.02 0.00 0.00 54.97 55.96 2kcp s GLU 39 Cb -0.12 -3.52 0.02 0.00 0.10 0.00 0.00 34.13 30.61 2kcp s GLU 39 CO 0.27 -0.13 0.96 0.42 0.02 0.00 0.00 175.26 176.80 2kcp s ILE 40 N 1.50 4.52 -0.14 -1.63 1.01 -1.26 -0.42 121.20 124.78 2kcp s ILE 40 Ca 0.35 1.17 -0.18 0.00 0.00 0.00 0.00 60.65 61.99 2kcp s ILE 40 Cb -0.17 -4.39 -0.16 0.00 0.01 0.00 0.00 42.46 37.76 2kcp s ILE 40 CO 0.14 -0.63 0.37 0.03 0.00 0.00 0.00 174.94 174.85 2kcp h ARG 41 N 8.62 0.00 -6.79 2.79 3.08 -0.65 -3.48 114.38 117.96 2kcp h ARG 41 Ca -0.23 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.13 2kcp h ARG 41 Cb 1.07 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.89 2kcp h ARG 41 CO 1.01 0.64 -0.86 1.21 -1.07 0.00 0.00 179.97 180.90 2kcp s ASN 42 N -6.11 3.41 -0.04 7.04 2.47 -0.39 -5.00 114.94 116.33 2kcp s ASN 42 Ca -0.15 -0.63 0.12 0.00 0.42 0.00 0.00 52.86 52.62 2kcp s ASN 42 Cb -0.00 -0.34 0.37 0.00 -1.45 0.00 0.00 41.25 39.83 2kcp s ASN 42 CO 0.44 0.21 1.30 1.33 -3.72 0.00 0.00 177.10 176.67 2kcp n VAL 43 N 1.25 1.27 -3.77 -5.21 0.24 -1.26 -1.22 118.33 109.63 2kcp n VAL 43 Ca -0.17 -1.17 -0.13 0.00 -2.04 0.00 0.00 64.34 60.83 2kcp n VAL 43 Cb 0.52 0.35 -0.12 0.00 -1.47 0.00 0.00 33.84 33.12 2kcp n VAL 43 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kcp s VAL 44 N -1.37 -0.02 0.84 3.34 0.11 -1.26 -4.45 120.40 117.60 2kcp s VAL 44 Ca 0.28 0.06 -0.10 0.00 -2.93 0.00 0.00 61.98 59.29 2kcp s VAL 44 Cb 0.17 -0.33 0.15 0.00 -1.53 0.00 0.00 36.38 34.84 2kcp s VAL 44 CO 0.15 0.02 1.17 -1.83 -3.33 0.00 0.00 175.10 171.29 2kcp s GLU 45 N 0.57 1.25 -0.14 1.54 -1.05 -0.99 -4.77 118.70 115.11 2kcp s GLU 45 Ca -0.04 -0.57 -0.00 0.00 -0.15 0.00 0.00 54.97 54.21 2kcp s GLU 45 Cb -0.05 -2.05 0.09 0.00 -0.44 0.00 0.00 34.13 31.69 2kcp s GLU 45 CO -0.03 -1.91 1.99 0.27 0.95 0.00 0.00 175.26 176.53 2kcp n ASN 46 N -3.34 5.76 0.14 0.83 0.23 -1.26 -4.60 115.26 113.03 2kcp n ASN 46 Ca 0.14 -2.68 0.06 0.00 -0.53 0.00 0.00 54.58 51.57 2kcp n ASN 46 Cb 0.60 -1.09 0.54 0.00 -2.08 0.00 0.00 39.78 37.76 2kcp n ASN 46 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kcp h THR 47 N 0.98 1.05 -3.41 5.53 1.03 -1.97 -3.45 112.91 112.66 2kcp h THR 47 Ca 0.13 -0.09 -0.04 0.00 -0.01 0.00 0.00 66.41 66.40 2kcp h THR 47 Cb 0.97 0.77 -0.11 0.00 -1.07 0.00 0.00 68.15 68.71 2kcp h THR 47 CO 0.33 0.05 -0.05 0.00 -0.01 0.00 0.00 175.52 175.83 2kcp s ALA 48 N -5.26 -0.81 -0.64 0.00 0.00 -1.26 -5.10 121.76 108.68 2kcp s ALA 48 Ca -0.06 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 51.70 2kcp s ALA 48 Cb 0.17 0.80 0.18 0.00 0.00 0.00 0.00 23.12 24.27 2kcp s ALA 48 CO 0.70 -0.72 0.49 0.27 0.00 0.00 0.00 175.76 176.50 2kcp n ASN 49 N -0.28 2.39 -1.79 0.00 6.94 -1.26 -5.11 115.26 116.14 2kcp n ASN 49 Ca -0.12 -3.07 0.00 0.00 -0.02 0.00 0.00 54.58 51.37 2kcp n ASN 49 Cb 0.63 -0.71 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 2kcp n ASN 49 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2kcp n PRO 50 N 1.99 1.07 0.00 -0.53 -0.04 -1.26 -5.12 135.00 131.10 2kcp n PRO 50 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2kcp n PRO 50 Cb 0.38 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 2kcp n PRO 50 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2kcp n HIS 51 N -0.95 -0.01 -1.30 0.54 8.25 -1.26 -4.85 115.22 115.65 2kcp n HIS 51 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 2kcp n HIS 51 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 2kcp n HIS 51 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2kcp n PHE 52 N -0.01 1.92 -3.64 4.41 3.72 -1.26 -4.78 117.46 117.83 2kcp n PHE 52 Ca 0.00 -1.65 -0.09 0.00 -0.05 0.00 0.00 57.45 55.66 2kcp n PHE 52 Cb 0.00 -1.83 -0.07 0.00 -0.94 0.00 0.00 39.48 36.64 2kcp n PHE 52 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2kcp s VAL 53 N 6.40 0.00 0.03 -4.37 0.11 -1.26 -5.18 120.40 116.12 2kcp s VAL 53 Ca 0.60 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.37 2kcp s VAL 53 Cb 0.11 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 34.07 2kcp s VAL 53 CO 0.14 0.00 1.22 0.00 -3.33 0.00 0.00 175.10 173.13 2kcp s ARG 54 N 0.84 0.59 0.07 1.54 3.03 -1.26 -4.86 118.95 118.89 2kcp s ARG 54 Ca -0.03 -0.35 -0.09 0.00 2.03 0.00 0.00 55.73 57.28 2kcp s ARG 54 Cb -0.05 0.19 0.00 0.00 -1.03 0.00 0.00 34.95 34.06 2kcp s ARG 54 CO -0.09 -0.27 0.20 -0.98 -1.13 0.00 0.00 175.30 173.03 2kcp s ARG 55 N -2.40 0.78 -0.25 3.89 3.03 -1.26 -5.05 118.95 117.69 2kcp s ARG 55 Ca 0.18 -0.79 0.12 0.00 2.03 0.00 0.00 55.73 57.27 2kcp s ARG 55 Cb 0.02 0.32 0.76 0.00 -1.03 0.00 0.00 34.95 35.02 2kcp s ARG 55 CO -0.01 -0.24 1.70 0.27 -1.13 0.00 0.00 175.30 175.89 2kcp n ASN 56 N 0.28 5.30 -4.62 -2.89 6.94 -1.26 -4.89 115.26 114.12 2kcp n ASN 56 Ca -0.17 -2.95 -0.41 0.00 -0.02 0.00 0.00 54.58 51.03 2kcp n ASN 56 Cb 0.61 -0.69 -0.06 0.00 -2.36 0.00 0.00 39.78 37.28 2kcp n ASN 56 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2kcp s ILE 57 N -2.72 4.89 -0.07 1.53 1.01 -1.26 -4.93 121.20 119.65 2kcp s ILE 57 Ca 0.52 1.16 -0.30 0.00 0.00 0.00 0.00 60.65 62.03 2kcp s ILE 57 Cb 0.40 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 2kcp s ILE 57 CO 0.14 -0.11 1.31 -0.63 0.00 0.00 0.00 174.94 175.65 2kcp s ILE 58 N 2.73 4.06 0.27 2.92 1.01 -1.26 -4.97 121.20 125.96 2kcp s ILE 58 Ca 0.29 1.37 0.11 0.00 0.00 0.00 0.00 60.65 62.42 2kcp s ILE 58 Cb -0.15 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 2kcp s ILE 58 CO 0.10 -0.05 -0.15 0.42 0.00 0.00 0.00 174.94 175.26 2kcp s THR 59 N 2.80 2.72 0.28 2.92 -4.23 -1.26 -4.47 115.64 114.39 2kcp s THR 59 Ca 0.59 -2.27 -0.30 0.00 -1.18 0.00 0.00 61.69 58.54 2kcp s THR 59 Cb -0.26 -2.43 -0.10 0.00 1.34 0.00 0.00 72.50 71.05 2kcp s THR 59 CO 0.22 -0.38 1.43 -0.60 -0.54 0.00 0.00 174.62 174.75 2kcp s ARG 60 N -3.50 4.26 0.00 3.99 3.52 -1.26 -2.13 118.95 123.82 2kcp s ARG 60 Ca 0.30 2.33 0.00 0.00 -0.13 0.00 0.00 55.73 58.23 2kcp s ARG 60 Cb -0.06 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 2kcp s ARG 60 CO 0.16 -0.40 0.00 0.41 -0.81 0.00 0.00 175.30 174.66 2kcp n GLY 61 N 1.76 2.68 3.80 8.12 0.00 0.27 -4.98 105.19 116.85 2kcp n GLY 61 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2kcp n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcp s ALA 62 N -2.18 3.06 -0.28 4.61 0.00 -0.91 -4.61 121.76 121.46 2kcp s ALA 62 Ca 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 51.96 52.37 2kcp s ALA 62 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 2kcp s ALA 62 CO 0.00 0.02 0.17 0.08 0.00 0.00 0.00 175.76 176.03 2kcp s VAL 63 N -1.92 5.13 0.19 0.00 1.01 -1.26 -0.68 120.40 122.86 2kcp s VAL 63 Ca 0.59 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.68 2kcp s VAL 63 Cb -0.15 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2kcp s VAL 63 CO 0.19 0.24 0.23 0.68 0.00 0.00 0.00 175.10 176.44 2kcp s VAL 64 N 1.73 4.87 -0.48 2.92 -7.23 0.69 -2.34 120.40 120.57 2kcp s VAL 64 Ca 0.07 -1.00 -0.17 0.00 -1.81 0.00 0.00 61.98 59.07 2kcp s VAL 64 Cb -0.16 -3.55 0.06 0.00 0.56 0.00 0.00 36.38 33.29 2kcp s VAL 64 CO 0.10 -0.18 0.47 -0.70 -0.31 0.00 0.00 175.10 174.47 2kcp s GLU 65 N -3.42 3.03 0.43 4.82 2.12 -0.35 -0.99 118.70 124.35 2kcp s GLU 65 Ca 0.33 -1.14 0.08 0.00 0.36 0.00 0.00 54.97 54.60 2kcp s GLU 65 Cb -0.10 -4.10 0.00 0.00 0.26 0.00 0.00 34.13 30.19 2kcp s GLU 65 CO 0.26 -1.06 0.49 0.95 -0.54 0.00 0.00 175.26 175.36 2kcp s THR 66 N 2.00 2.76 0.50 -1.70 -4.23 0.50 0.10 115.64 115.57 2kcp s THR 66 Ca 0.08 -1.17 0.18 0.00 -1.18 0.00 0.00 61.69 59.61 2kcp s THR 66 Cb -0.22 -2.93 0.32 0.00 1.34 0.00 0.00 72.50 71.02 2kcp s THR 66 CO 0.09 0.00 2.06 -0.55 -0.54 0.00 0.00 174.62 175.68 2kcp h ASN 67 N 0.79 0.09 0.37 3.99 -1.07 -1.09 -0.79 115.58 117.88 2kcp h ASN 67 Ca -0.40 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 55.70 2kcp h ASN 67 Cb 1.27 -0.02 0.01 0.00 -2.07 0.00 0.00 38.32 37.52 2kcp h ASN 67 CO 0.51 0.06 -1.15 -0.07 0.07 0.00 0.00 177.43 176.85 2kcp h LEU 68 N 0.10 0.61 0.00 6.14 3.38 -1.95 -3.50 115.31 120.09 2kcp h LEU 68 Ca 0.14 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2kcp h LEU 68 Cb 0.45 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2kcp h LEU 68 CO -0.02 1.40 0.00 0.61 0.09 0.00 0.00 178.44 180.52 2kcp n GLY 69 N 1.29 0.19 3.71 0.83 0.00 -0.30 -5.10 105.19 105.80 2kcp n GLY 69 Ca -0.10 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 2kcp n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kcp s ASN 70 N -4.00 7.14 -0.08 1.61 0.02 -1.21 -0.37 114.94 118.05 2kcp s ASN 70 Ca 0.00 1.88 0.01 0.00 -1.02 0.00 0.00 52.86 53.73 2kcp s ASN 70 Cb 0.00 -2.57 0.02 0.00 0.02 0.00 0.00 41.25 38.72 2kcp s ASN 70 CO 0.00 -0.45 -0.11 -0.69 0.02 0.00 0.00 177.10 175.87 2kcp s VAL 71 N 1.34 1.10 -0.26 1.60 1.01 -0.16 -0.53 120.40 124.49 2kcp s VAL 71 Ca 0.56 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 2kcp s VAL 71 Cb -0.26 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2kcp s VAL 71 CO 0.27 0.36 0.36 -0.60 0.00 0.00 0.00 175.10 175.48 2kcp s ARG 72 N 0.98 4.03 0.23 2.72 3.52 -0.36 -0.22 118.95 129.85 2kcp s ARG 72 Ca -0.09 0.02 -0.30 0.00 -0.13 0.00 0.00 55.73 55.24 2kcp s ARG 72 Cb -0.15 -3.64 -0.10 0.00 -1.56 0.00 0.00 34.95 29.50 2kcp s ARG 72 CO -0.00 -0.24 1.47 0.08 -0.81 0.00 0.00 175.30 175.80 2kcp s VAL 73 N 1.96 2.66 -0.26 7.11 1.01 0.15 -0.51 120.40 132.51 2kcp s VAL 73 Ca 0.15 0.53 -0.16 0.00 0.00 0.00 0.00 61.98 62.49 2kcp s VAL 73 Cb -0.16 -3.34 -0.14 0.00 0.00 0.00 0.00 36.38 32.74 2kcp s VAL 73 CO 0.10 0.07 -0.19 0.35 0.00 0.00 0.00 175.10 175.43 2kcp n THR 74 N 2.71 1.53 -3.19 3.92 -2.24 -0.17 -0.57 114.28 116.28 2kcp n THR 74 Ca 0.08 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2kcp n THR 74 Cb 0.40 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 2kcp n THR 74 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kcp n SER 75 N -4.31 0.46 -4.58 3.42 7.64 -1.25 -4.65 113.62 110.34 2kcp n SER 75 Ca -0.48 -0.96 -0.43 0.00 1.01 0.00 0.00 58.87 58.01 2kcp n SER 75 Cb 0.82 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.99 2kcp n SER 75 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2kcp s ARG 76 N -1.83 3.65 -0.34 1.43 3.00 -1.26 -4.18 118.95 119.42 2kcp s ARG 76 Ca 0.00 0.39 -0.27 0.00 0.00 0.00 0.00 55.73 55.84 2kcp s ARG 76 Cb 0.00 -3.91 -0.06 0.00 0.00 0.00 0.00 34.95 30.98 2kcp s ARG 76 CO 0.00 -1.27 2.31 -2.14 0.00 0.00 0.00 175.30 174.19 2kcp s PRO 77 N 4.06 2.66 0.00 3.54 0.02 -1.26 -2.75 135.00 141.26 2kcp s PRO 77 Ca 0.42 1.75 0.00 0.00 0.02 0.00 0.00 61.00 63.20 2kcp s PRO 77 Cb -0.09 -4.47 0.00 0.00 0.02 0.00 0.00 34.50 29.96 2kcp s PRO 77 CO 0.28 -2.64 0.00 0.41 -0.33 0.00 0.00 177.00 174.72 2kcp n GLY 78 N 5.88 2.23 3.74 0.52 0.00 -1.24 -4.98 105.19 111.34 2kcp n GLY 78 Ca 0.33 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2kcp n GLY 78 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kcp s GLN 79 N 0.00 4.12 0.00 1.61 -1.52 -1.11 -1.16 119.66 121.60 2kcp s GLN 79 Ca 0.00 2.59 0.00 0.00 -1.95 0.00 0.00 55.36 56.00 2kcp s GLN 79 Cb 0.00 -3.05 0.00 0.00 -0.22 0.00 0.00 33.01 29.74 2kcp s GLN 79 CO 0.00 -0.69 0.00 -0.25 -0.25 0.00 0.00 175.29 174.10 2kcp n ASP 80 N 3.01 -5.46 0.00 5.90 8.00 -1.26 -1.75 116.55 124.99 2kcp n ASP 80 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2kcp n ASP 80 Cb 0.36 -3.32 0.00 0.00 -0.02 0.00 0.00 41.12 38.14 2kcp n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kcp n GLY 81 N 0.65 1.13 3.48 0.44 0.00 -0.31 -4.94 105.19 105.64 2kcp n GLY 81 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2kcp n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kcp s VAL 82 N -3.79 2.96 -0.17 1.61 0.11 -0.72 -3.89 120.40 116.51 2kcp s VAL 82 Ca 0.00 -1.09 -0.02 0.00 -2.93 0.00 0.00 61.98 57.95 2kcp s VAL 82 Cb 0.00 -2.25 -0.01 0.00 -1.53 0.00 0.00 36.38 32.59 2kcp s VAL 82 CO 0.00 0.36 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.41 2kcp s ILE 83 N -0.93 3.20 -0.05 7.04 1.09 -1.26 -3.62 121.20 126.66 2kcp s ILE 83 Ca 0.15 -0.58 -0.03 0.00 -1.10 0.00 0.00 60.65 59.08 2kcp s ILE 83 Cb -0.11 -2.40 -0.04 0.00 -1.06 0.00 0.00 42.46 38.86 2kcp s ILE 83 CO 0.05 0.48 0.11 0.20 -0.10 0.00 0.00 174.94 175.69 2kcp s ASN 84 N 0.86 6.02 0.33 3.58 -0.87 -1.26 -0.24 114.94 123.36 2kcp s ASN 84 Ca -0.03 0.30 -0.18 0.00 -1.57 0.00 0.00 52.86 51.38 2kcp s ASN 84 Cb -0.15 -1.84 0.04 0.00 -0.02 0.00 0.00 41.25 39.27 2kcp s ASN 84 CO 0.01 0.33 0.75 -0.83 -2.57 0.00 0.00 177.10 174.78 2kcp s GLY 85 N -1.44 0.13 -0.05 0.66 0.00 0.50 -1.00 107.32 106.12 2kcp s GLY 85 Ca 0.20 -0.52 0.05 0.00 0.00 0.00 0.00 44.72 44.45 2kcp s GLY 85 CO 0.10 -0.20 -0.17 0.14 0.00 0.00 0.00 173.10 172.97 2kcp s VAL 86 N -3.20 2.77 -0.55 1.40 1.01 0.34 -0.38 120.40 121.80 2kcp s VAL 86 Ca 0.13 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 2kcp s VAL 86 Cb -0.06 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.29 2kcp s VAL 86 CO 0.09 0.58 1.23 -0.22 0.00 0.00 0.00 175.10 176.78 2kcp s LEU 87 N -0.60 3.48 0.00 3.92 2.96 -0.22 -1.23 118.68 126.99 2kcp s LEU 87 Ca 0.09 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 2kcp s LEU 87 Cb -0.11 -3.25 -0.00 0.00 0.50 0.00 0.00 46.19 43.33 2kcp s LEU 87 CO 0.01 -1.47 0.02 2.30 -1.32 0.00 0.00 176.35 175.89 2kcp n ILE 88 N 6.76 0.00 -3.64 6.68 -5.35 0.30 -4.38 119.36 119.73 2kcp n ILE 88 Ca 0.10 -0.31 -0.27 0.00 -0.27 0.00 0.00 62.75 62.00 2kcp n ILE 88 Cb 0.49 0.13 -0.16 0.00 -1.74 0.00 0.00 39.64 38.35 2kcp n ILE 88 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2kcp s ARG 89 N -2.19 0.31 -0.02 6.28 1.81 -1.26 -3.33 118.95 120.54 2kcp s ARG 89 Ca 0.03 -0.35 0.18 0.00 -1.72 0.00 0.00 55.73 53.88 2kcp s ARG 89 Cb 0.00 -1.79 -0.28 0.00 -0.45 0.00 0.00 34.95 32.42 2kcp s ARG 89 CO 0.02 -0.75 0.41 0.39 -0.68 0.00 0.00 175.30 174.69 2kcp n GLU 90 N 5.17 0.57 -2.06 3.54 -0.58 -1.26 -5.01 120.64 121.01 2kcp n GLU 90 Ca -0.07 -0.16 -0.13 0.00 -0.42 0.00 0.00 57.16 56.38 2kcp n GLU 90 Cb 0.47 -1.43 0.06 0.00 -0.57 0.00 0.00 31.44 29.96 2kcp n GLU 90 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2kcp n LEU 91 N -2.12 0.00 -4.77 -4.62 4.77 -1.26 -5.06 117.00 103.94 2kcp n LEU 91 Ca -0.03 -1.45 -0.40 0.00 -0.03 0.00 0.00 56.01 54.10 2kcp n LEU 91 Cb 0.47 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 2kcp n LEU 91 CO 0.39 -0.70 1.04 -0.70 -1.33 0.00 0.00 177.39 176.08 2kcp s GLU 92 N -3.82 3.75 -0.66 3.23 2.12 -1.26 -4.97 118.70 117.08 2kcp s GLU 92 Ca 0.39 2.35 -0.21 0.00 0.36 0.00 0.00 54.97 57.86 2kcp s GLU 92 Cb -0.03 -2.67 0.09 0.00 0.26 0.00 0.00 34.13 31.77 2kcp s GLU 92 CO 0.25 -0.74 0.90 -1.01 -0.54 0.00 0.00 175.26 174.12 2kcp s HIS 93 N -1.22 2.80 0.04 5.30 3.76 -1.26 -5.02 115.29 119.70 2kcp s HIS 93 Ca 0.60 -0.74 -0.30 0.00 -0.15 0.00 0.00 55.06 54.47 2kcp s HIS 93 Cb -0.42 -4.21 -0.08 0.00 1.11 0.00 0.00 32.58 28.97 2kcp s HIS 93 CO 0.54 -1.54 1.80 -1.01 -0.85 0.00 0.00 174.74 173.69 2kcp s HIS 94 N 3.55 1.87 -0.41 1.40 0.09 -1.26 -4.95 115.29 115.57 2kcp s HIS 94 Ca 0.20 -0.06 0.04 0.00 -0.00 0.00 0.00 55.06 55.25 2kcp s HIS 94 Cb -0.18 -4.10 0.17 0.00 -0.00 0.00 0.00 32.58 28.47 2kcp s HIS 94 CO 0.07 -4.68 0.46 -3.38 -0.00 0.00 0.00 174.74 167.21 2kcp s HIS 95 N 3.60 -0.43 -0.44 1.40 -3.43 -1.26 -5.10 115.29 109.63 2kcp s HIS 95 Ca 0.80 -0.94 -0.14 0.00 -0.80 0.00 0.00 55.06 53.99 2kcp s HIS 95 Cb -0.41 -0.30 0.05 0.00 -1.43 0.00 0.00 32.58 30.50 2kcp s HIS 95 CO 0.36 -1.02 0.33 -1.58 -2.00 0.00 0.00 174.74 170.83 2kcp s HIS 96 N 1.13 3.26 0.15 0.38 2.46 -1.26 -5.06 115.29 116.35 2kcp s HIS 96 Ca 0.22 -0.93 -0.31 0.00 0.47 0.00 0.00 55.06 54.50 2kcp s HIS 96 Cb -0.08 -2.90 -0.11 0.00 -0.13 0.00 0.00 32.58 29.35 2kcp s HIS 96 CO -0.06 -0.73 1.81 1.58 -2.47 0.00 0.00 174.74 174.86 2kcp n HIS 97 N 5.13 2.67 1.55 3.88 -0.00 -1.26 -5.36 115.22 121.83 2kcp n HIS 97 Ca -0.12 -0.09 0.14 0.00 0.46 0.00 0.00 57.72 58.11 2kcp n HIS 97 Cb 0.45 -2.72 0.57 0.00 -0.12 0.00 0.00 29.99 28.17 2kcp n HIS 97 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38