#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcp n ASP 2 N 0.00 -5.71 -0.01 1.61 9.92 -1.26 -4.85 116.55 116.24 2kcp n ASP 2 Ca 0.00 -0.53 0.16 0.00 -0.53 0.00 0.00 54.79 53.89 2kcp n ASP 2 Cb 0.00 -2.55 0.92 0.00 -0.64 0.00 0.00 41.12 38.86 2kcp n ASP 2 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kcp n ARG 3 N -1.76 1.02 -2.19 -1.24 5.12 -1.26 -4.86 116.66 111.49 2kcp n ARG 3 Ca -0.18 -0.02 -0.39 0.00 -1.93 0.00 0.00 57.85 55.33 2kcp n ARG 3 Cb 0.64 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.44 2kcp n ARG 3 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2kcp s ARG 4 N -2.00 3.99 0.25 5.56 1.70 -1.26 -4.78 118.95 122.40 2kcp s ARG 4 Ca 0.47 1.96 0.00 0.00 -0.47 0.00 0.00 55.73 57.69 2kcp s ARG 4 Cb 0.22 -2.68 0.00 0.00 -0.57 0.00 0.00 34.95 31.91 2kcp s ARG 4 CO 0.36 -0.41 0.00 0.28 -1.08 0.00 0.00 175.30 174.45 2kcp n VAL 5 N 0.05 -6.73 -3.58 4.99 0.31 -1.26 -4.95 118.33 107.16 2kcp n VAL 5 Ca 0.04 2.22 -0.39 0.00 -0.01 0.00 0.00 64.34 66.20 2kcp n VAL 5 Cb 0.45 -3.49 -0.11 0.00 -0.91 0.00 0.00 33.84 29.78 2kcp n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kcp s ARG 6 N -2.12 3.73 0.00 5.55 1.70 -1.26 -4.95 118.95 121.60 2kcp s ARG 6 Ca 0.00 -0.47 0.17 0.00 -0.47 0.00 0.00 55.73 54.96 2kcp s ARG 6 Cb 0.00 -3.70 0.27 0.00 -0.57 0.00 0.00 34.95 30.95 2kcp s ARG 6 CO 0.00 -0.29 1.19 -0.11 -1.08 0.00 0.00 175.30 175.00 2kcp n LEU 7 N 5.07 2.84 -4.75 -1.89 7.94 -1.26 -5.01 117.00 119.94 2kcp n LEU 7 Ca -0.14 -1.42 -0.42 0.00 -1.11 0.00 0.00 56.01 52.92 2kcp n LEU 7 Cb 0.51 -0.15 -0.01 0.00 0.53 0.00 0.00 43.42 44.30 2kcp n LEU 7 CO 0.34 0.61 1.20 0.00 -1.11 0.00 0.00 177.39 178.43 2kcp n ILE 8 N 1.00 1.23 -3.88 1.96 0.13 -1.26 -5.02 119.36 113.51 2kcp n ILE 8 Ca 0.13 -0.31 -0.25 0.00 -1.10 0.00 0.00 62.75 61.23 2kcp n ILE 8 Cb 0.46 -1.93 -0.03 0.00 -0.84 0.00 0.00 39.64 37.30 2kcp n ILE 8 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 2kcp s ARG 9 N -0.84 2.31 0.17 9.51 1.81 -1.26 -5.16 118.95 125.48 2kcp s ARG 9 Ca 0.62 -1.87 -0.03 0.00 -1.72 0.00 0.00 55.73 52.72 2kcp s ARG 9 Cb -0.50 -2.13 -0.03 0.00 -0.45 0.00 0.00 34.95 31.84 2kcp s ARG 9 CO 0.52 -0.40 0.15 -0.08 -0.68 0.00 0.00 175.30 174.81 2kcp s THR 10 N -2.66 0.06 0.14 0.02 -1.32 -1.26 -5.18 115.64 105.44 2kcp s THR 10 Ca 0.38 -1.80 0.02 0.00 -1.21 0.00 0.00 61.69 59.09 2kcp s THR 10 Cb -0.01 -2.15 -0.04 0.00 -1.51 0.00 0.00 72.50 68.80 2kcp s THR 10 CO 0.23 -0.26 0.28 0.00 -2.21 0.00 0.00 174.62 172.66 2kcp s ARG 11 N -4.06 3.44 -0.09 7.08 1.70 -1.26 -5.11 118.95 120.65 2kcp s ARG 11 Ca 0.27 -0.58 -0.04 0.00 -0.47 0.00 0.00 55.73 54.90 2kcp s ARG 11 Cb 0.06 -2.97 -0.04 0.00 -0.57 0.00 0.00 34.95 31.43 2kcp s ARG 11 CO 0.05 0.52 0.10 0.20 -1.08 0.00 0.00 175.30 175.10 2kcp s GLY 12 N -3.19 2.07 -0.25 3.88 0.00 -1.26 -5.10 107.32 103.47 2kcp s GLY 12 Ca 0.35 -0.72 -0.11 0.00 0.00 0.00 0.00 44.72 44.23 2kcp s GLY 12 CO 0.28 -0.50 0.19 -0.32 0.00 0.00 0.00 173.10 172.75 2kcp s GLY 13 N -1.18 1.97 0.27 0.20 0.00 -1.26 -5.09 107.32 102.23 2kcp s GLY 13 Ca 0.17 -0.93 0.11 0.00 0.00 0.00 0.00 44.72 44.07 2kcp s GLY 13 CO 0.06 0.52 -0.13 -1.31 0.00 0.00 0.00 173.10 172.24 2kcp s ASN 14 N 1.31 3.91 0.04 1.64 0.02 -1.26 -5.13 114.94 115.48 2kcp s ASN 14 Ca 0.08 -0.89 -0.28 0.00 -1.02 0.00 0.00 52.86 50.75 2kcp s ASN 14 Cb -0.14 -0.49 -0.05 0.00 0.02 0.00 0.00 41.25 40.59 2kcp s ASN 14 CO 0.07 0.03 0.90 -0.89 0.02 0.00 0.00 177.10 177.23 2kcp s THR 15 N -2.42 4.72 0.67 1.60 2.01 -1.26 -5.06 115.64 115.90 2kcp s THR 15 Ca 0.30 1.91 0.04 0.00 0.31 0.00 0.00 61.69 64.25 2kcp s THR 15 Cb -0.06 -4.25 0.12 0.00 0.01 0.00 0.00 72.50 68.32 2kcp s THR 15 CO 0.17 0.27 0.93 -0.54 -0.69 0.00 0.00 174.62 174.75 2kcp s LYS 16 N 0.39 1.87 0.66 4.92 1.02 -1.26 -5.11 119.74 122.22 2kcp s LYS 16 Ca 0.46 -1.40 -0.11 0.00 0.02 0.00 0.00 55.97 54.94 2kcp s LYS 16 Cb -0.21 -2.46 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 2kcp s LYS 16 CO 0.27 -1.26 1.06 0.54 -0.92 0.00 0.00 175.35 175.03 2kcp s VAL 17 N -2.97 4.13 0.42 3.17 0.11 -1.26 -4.79 120.40 119.21 2kcp s VAL 17 Ca 0.65 0.69 -0.24 0.00 -2.93 0.00 0.00 61.98 60.15 2kcp s VAL 17 Cb -0.05 -3.68 -0.11 0.00 -1.53 0.00 0.00 36.38 31.01 2kcp s VAL 17 CO 0.43 -0.90 1.03 -2.11 -3.33 0.00 0.00 175.10 170.22 2kcp n ARG 18 N -2.87 1.40 -1.03 1.54 -4.01 -1.26 -4.65 116.66 105.78 2kcp n ARG 18 Ca 0.06 0.50 -0.40 0.00 -1.04 0.00 0.00 57.85 56.97 2kcp n ARG 18 Cb 0.56 -2.07 -0.10 0.00 -3.04 0.00 0.00 32.46 27.81 2kcp n ARG 18 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2kcp n LEU 19 N 0.49 0.44 -4.16 2.89 0.00 -0.09 -4.81 117.00 111.76 2kcp n LEU 19 Ca 0.09 0.37 -0.43 0.00 0.00 0.00 0.00 56.01 56.04 2kcp n LEU 19 Cb 0.39 -0.69 0.00 0.00 0.00 0.00 0.00 43.42 43.12 2kcp n LEU 19 CO 0.57 -0.57 1.81 0.00 0.00 0.00 0.00 177.39 179.20 2kcp n ALA 20 N 6.61 4.62 0.00 1.96 0.00 -1.26 -4.72 120.51 127.71 2kcp n ALA 20 Ca 0.45 -4.20 0.00 0.00 0.00 0.00 0.00 53.44 49.69 2kcp n ALA 20 Cb -0.01 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.31 2kcp n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kcp n SER 21 N 5.25 0.00 -4.55 0.00 7.64 -1.26 -4.89 113.62 115.80 2kcp n SER 21 Ca 0.41 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.95 2kcp n SER 21 Cb 0.40 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.56 2kcp n SER 21 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2kcp s ASP 22 N 0.00 4.89 -0.34 6.43 1.01 -1.26 -4.92 116.67 122.48 2kcp s ASP 22 Ca 0.00 0.40 -0.29 0.00 0.71 0.00 0.00 52.55 53.38 2kcp s ASP 22 Cb 0.00 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 2kcp s ASP 22 CO 0.00 -2.70 1.62 0.42 0.21 0.00 0.00 175.17 174.72 2kcp s THR 23 N 10.61 3.68 0.00 -1.27 -4.23 -1.26 -4.95 115.64 118.22 2kcp s THR 23 Ca 0.79 0.70 -0.18 0.00 -1.18 0.00 0.00 61.69 61.82 2kcp s THR 23 Cb -0.13 -3.87 0.03 0.00 1.34 0.00 0.00 72.50 69.87 2kcp s THR 23 CO 0.18 -0.53 0.40 -0.13 -0.54 0.00 0.00 174.62 174.01 2kcp s ARG 24 N 5.22 0.82 0.00 3.99 0.52 -1.26 -0.82 118.95 127.42 2kcp s ARG 24 Ca 0.71 -0.20 0.01 0.00 -0.52 0.00 0.00 55.73 55.73 2kcp s ARG 24 Cb -0.19 0.37 -0.00 0.00 0.52 0.00 0.00 34.95 35.64 2kcp s ARG 24 CO 0.33 -0.26 -0.03 -1.50 0.02 0.00 0.00 175.30 173.86 2kcp s ILE 25 N -1.78 0.21 -0.58 1.52 2.07 0.32 -4.53 121.20 118.44 2kcp s ILE 25 Ca -0.10 -0.20 -0.27 0.00 -1.41 0.00 0.00 60.65 58.67 2kcp s ILE 25 Cb -0.03 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.36 2kcp s ILE 25 CO 0.02 0.00 1.56 0.20 -1.91 0.00 0.00 174.94 174.82 2kcp s ASN 26 N -0.21 5.87 -0.13 4.50 0.01 0.66 -1.16 114.94 124.47 2kcp s ASN 26 Ca -0.00 0.30 -0.06 0.00 -0.71 0.00 0.00 52.86 52.39 2kcp s ASN 26 Cb -0.02 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 2kcp s ASN 26 CO -0.00 -1.91 0.09 -0.69 -1.51 0.00 0.00 177.10 173.07 2kcp s VAL 27 N 6.94 5.03 -0.37 1.60 1.01 0.61 -0.59 120.40 134.63 2kcp s VAL 27 Ca 0.57 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.41 2kcp s VAL 27 Cb -0.12 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2kcp s VAL 27 CO 0.23 0.57 0.45 -0.69 0.00 0.00 0.00 175.10 175.66 2kcp s VAL 28 N -0.57 5.08 -0.34 2.92 1.01 0.54 0.28 120.40 129.31 2kcp s VAL 28 Ca 0.11 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 2kcp s VAL 28 Cb -0.12 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.32 2kcp s VAL 28 CO 0.02 -0.25 1.25 -0.62 0.00 0.00 0.00 175.10 175.50 2kcp s ASP 29 N 1.78 6.68 0.00 3.32 -1.08 0.14 -1.38 116.67 126.13 2kcp s ASP 29 Ca 0.15 1.03 0.28 0.00 -0.52 0.00 0.00 52.55 53.48 2kcp s ASP 29 Cb -0.16 -2.54 1.23 0.00 -1.46 0.00 0.00 42.92 39.99 2kcp s ASP 29 CO 0.13 -1.11 1.90 -0.81 0.52 0.00 0.00 175.17 175.81 2kcp n PRO 30 N 7.39 0.10 -0.00 4.34 -0.04 -1.26 -0.18 135.00 145.34 2kcp n PRO 30 Ca 0.14 0.03 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 2kcp n PRO 30 Cb 0.47 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.10 0.00 0.54 4.39 -1.91 -3.42 114.58 114.28 2kcp h GLU 31 Ca 0.00 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.48 2kcp h GLU 31 Cb 0.42 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2kcp h GLU 31 CO 0.00 0.76 -1.23 0.25 -1.16 0.00 0.00 179.01 177.63 2kcp n THR 32 N -3.21 0.23 -0.17 1.13 -2.24 -1.22 -5.05 114.28 103.75 2kcp n THR 32 Ca -0.21 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2kcp n THR 32 Cb 1.05 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 2.87 0.91 3.93 3.38 0.00 0.75 -5.08 105.19 111.95 2kcp n GLY 33 Ca -0.06 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.70 3.26 -0.61 1.61 -2.85 -1.24 -4.84 119.74 114.37 2kcp s LYS 34 Ca 0.00 -0.13 -0.11 0.00 -1.00 0.00 0.00 55.97 54.74 2kcp s LYS 34 Cb 0.00 -2.45 0.16 0.00 -2.06 0.00 0.00 37.83 33.48 2kcp s LYS 34 CO 0.00 -0.28 0.51 0.08 0.10 0.00 0.00 175.35 175.76 2kcp s VAL 35 N -2.68 4.69 -0.11 1.79 1.01 -1.26 -0.68 120.40 123.16 2kcp s VAL 35 Ca 0.48 -2.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.29 2kcp s VAL 35 Cb -0.10 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2kcp s VAL 35 CO 0.42 -0.88 0.03 -0.70 0.00 0.00 0.00 175.10 173.97 2kcp s GLU 36 N 0.82 3.21 -0.21 2.72 2.56 0.14 -4.83 118.70 123.10 2kcp s GLU 36 Ca 0.11 -0.35 -0.25 0.00 0.00 0.00 0.00 54.97 54.48 2kcp s GLU 36 Cb -0.21 -2.92 -0.01 0.00 2.00 0.00 0.00 34.13 32.98 2kcp s GLU 36 CO -0.03 0.66 0.82 0.42 -0.56 0.00 0.00 175.26 176.57 2kcp s ILE 37 N -0.73 4.86 0.10 -3.70 1.01 -1.26 -0.29 121.20 121.18 2kcp s ILE 37 Ca 0.12 1.57 0.05 0.00 0.00 0.00 0.00 60.65 62.39 2kcp s ILE 37 Cb -0.12 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2kcp s ILE 37 CO 0.02 -0.03 0.02 0.00 0.00 0.00 0.00 174.94 174.96 2kcp s ALA 38 N 2.56 3.36 -0.25 9.38 0.00 -0.31 -4.92 121.76 131.57 2kcp s ALA 38 Ca 0.36 -1.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.04 2kcp s ALA 38 Cb -0.16 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 2kcp s ALA 38 CO 0.09 0.69 0.44 -1.21 0.00 0.00 0.00 175.76 175.77 2kcp s GLU 39 N -2.40 4.07 -0.24 0.00 2.02 -1.26 -0.52 118.70 120.37 2kcp s GLU 39 Ca 0.27 0.19 -0.27 0.00 0.02 0.00 0.00 54.97 55.17 2kcp s GLU 39 Cb -0.12 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.49 2kcp s GLU 39 CO 0.19 -0.27 0.96 0.42 0.02 0.00 0.00 175.26 176.59 2kcp s ILE 40 N 2.04 4.74 -0.12 -1.63 1.01 -0.00 -2.10 121.20 125.13 2kcp s ILE 40 Ca 0.18 1.85 -0.12 0.00 0.00 0.00 0.00 60.65 62.57 2kcp s ILE 40 Cb -0.16 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 37.98 2kcp s ILE 40 CO 0.09 -0.14 0.24 0.03 0.00 0.00 0.00 174.94 175.16 2kcp h ARG 41 N 7.54 0.00 -3.76 2.79 2.47 -1.05 -3.45 114.38 118.93 2kcp h ARG 41 Ca -0.20 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.40 2kcp h ARG 41 Cb 1.07 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 29.22 2kcp h ARG 41 CO 0.94 0.39 -0.48 -0.80 0.56 0.00 0.00 179.97 180.58 2kcp s ASN 42 N -5.87 0.15 -0.42 7.04 0.02 -1.16 -5.02 114.94 109.67 2kcp s ASN 42 Ca -0.10 -0.52 0.02 0.00 -1.02 0.00 0.00 52.86 51.25 2kcp s ASN 42 Cb -0.00 0.25 0.53 0.00 0.02 0.00 0.00 41.25 42.05 2kcp s ASN 42 CO 0.28 -0.54 1.84 0.55 0.02 0.00 0.00 177.10 179.25 2kcp n VAL 43 N 0.65 2.99 -2.31 1.60 3.14 -1.26 -1.22 118.33 121.93 2kcp n VAL 43 Ca -0.18 -1.83 -0.35 0.00 -2.96 0.00 0.00 64.34 59.01 2kcp n VAL 43 Cb 0.59 -0.69 -0.03 0.00 -1.06 0.00 0.00 33.84 32.64 2kcp n VAL 43 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2kcp s VAL 44 N -3.08 3.79 -1.09 1.55 0.11 -1.26 -4.82 120.40 115.59 2kcp s VAL 44 Ca 0.50 -1.22 -0.22 0.00 -2.93 0.00 0.00 61.98 58.11 2kcp s VAL 44 Cb 0.41 -4.80 0.01 0.00 -1.53 0.00 0.00 36.38 30.48 2kcp s VAL 44 CO 0.07 -1.48 1.72 -1.83 -3.33 0.00 0.00 175.10 170.25 2kcp s GLU 45 N 5.53 3.28 -1.43 1.54 -1.05 -1.16 -4.31 118.70 121.10 2kcp s GLU 45 Ca 0.61 -1.17 -0.12 0.00 -0.15 0.00 0.00 54.97 54.13 2kcp s GLU 45 Cb 0.00 -5.32 0.10 0.00 -0.44 0.00 0.00 34.13 28.47 2kcp s GLU 45 CO 0.07 -2.78 0.65 0.09 0.95 0.00 0.00 175.26 174.24 2kcp n ASN 46 N 10.82 -3.84 -4.58 0.83 4.13 -1.26 -4.77 115.26 116.58 2kcp n ASN 46 Ca 0.41 -0.60 -0.33 0.00 1.68 0.00 0.00 54.58 55.74 2kcp n ASN 46 Cb 0.48 -3.15 -0.04 0.00 -1.54 0.00 0.00 39.78 35.53 2kcp n ASN 46 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2kcp s THR 47 N -3.08 3.72 -0.92 3.41 -4.23 -1.26 -4.57 115.64 108.71 2kcp s THR 47 Ca 0.53 -1.18 0.24 0.00 -1.18 0.00 0.00 61.69 60.11 2kcp s THR 47 Cb -0.28 -4.74 -0.04 0.00 1.34 0.00 0.00 72.50 68.79 2kcp s THR 47 CO 0.65 -1.33 1.29 0.00 -0.54 0.00 0.00 174.62 174.70 2kcp n ALA 48 N 12.42 3.63 -2.01 3.99 0.00 -1.26 -4.92 120.51 132.36 2kcp n ALA 48 Ca 0.45 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 2kcp n ALA 48 Cb 0.47 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 2kcp n ALA 48 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kcp s ASN 49 N -3.23 6.63 0.51 0.00 -0.87 -1.26 -4.91 114.94 111.80 2kcp s ASN 49 Ca 0.09 2.17 0.29 0.00 -1.57 0.00 0.00 52.86 53.84 2kcp s ASN 49 Cb 0.17 -2.53 1.29 0.00 -0.02 0.00 0.00 41.25 40.15 2kcp s ASN 49 CO 0.74 -0.97 1.98 1.55 -2.57 0.00 0.00 177.10 177.82 2kcp h PRO 50 N 9.72 0.00 -0.54 -0.60 0.13 -2.02 -2.68 132.00 136.01 2kcp h PRO 50 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2kcp h PRO 50 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kcp h PRO 50 CO 0.96 0.13 0.00 1.58 -0.23 0.00 0.00 178.00 180.44 2kcp n HIS 51 N -3.39 0.80 -2.06 1.56 -0.00 -1.26 -4.89 115.22 105.99 2kcp n HIS 51 Ca -0.01 -0.36 -0.41 0.00 0.46 0.00 0.00 57.72 57.40 2kcp n HIS 51 Cb 0.32 -0.07 -0.03 0.00 -0.12 0.00 0.00 29.99 30.09 2kcp n HIS 51 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 2kcp s PHE 52 N -1.48 1.80 -0.12 1.57 5.36 -1.01 -4.95 117.98 119.15 2kcp s PHE 52 Ca 0.34 0.71 -0.02 0.00 -0.96 0.00 0.00 56.93 57.00 2kcp s PHE 52 Cb 0.19 -4.13 0.04 0.00 -0.34 0.00 0.00 43.02 38.79 2kcp s PHE 52 CO 0.21 -2.52 0.03 0.54 -1.46 0.00 0.00 175.22 172.02 2kcp s VAL 53 N 7.81 0.27 -0.15 3.12 0.11 -1.26 -5.10 120.40 125.21 2kcp s VAL 53 Ca 0.72 -0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 59.40 2kcp s VAL 53 Cb -0.17 -0.63 0.10 0.00 -1.53 0.00 0.00 36.38 34.15 2kcp s VAL 53 CO 0.27 0.02 0.85 -0.60 -3.33 0.00 0.00 175.10 172.31 2kcp s ARG 54 N 2.00 0.79 0.10 1.54 3.52 -1.26 -5.18 118.95 120.46 2kcp s ARG 54 Ca 0.03 0.37 -0.02 0.00 -0.13 0.00 0.00 55.73 55.98 2kcp s ARG 54 Cb -0.14 0.38 0.02 0.00 -1.56 0.00 0.00 34.95 33.65 2kcp s ARG 54 CO -0.06 -0.21 0.12 0.54 -0.81 0.00 0.00 175.30 174.87 2kcp n ARG 55 N 1.27 -0.56 -1.94 5.12 1.74 -1.26 -4.88 116.66 116.16 2kcp n ARG 55 Ca -0.14 -0.18 -0.33 0.00 -0.77 0.00 0.00 57.85 56.43 2kcp n ARG 55 Cb 0.57 -0.14 -0.05 0.00 -1.02 0.00 0.00 32.46 31.82 2kcp n ARG 55 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2kcp n ASN 56 N -3.12 3.17 -4.07 0.55 5.15 -1.26 -4.85 115.26 110.83 2kcp n ASN 56 Ca 0.01 -2.72 -0.34 0.00 -0.60 0.00 0.00 54.58 50.93 2kcp n ASN 56 Cb 0.05 -1.62 -0.12 0.00 -0.53 0.00 0.00 39.78 37.56 2kcp n ASN 56 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2kcp s ILE 57 N 9.08 3.09 -0.15 -1.44 1.09 -1.26 -5.08 121.20 126.54 2kcp s ILE 57 Ca 0.64 -2.46 -0.29 0.00 -1.10 0.00 0.00 60.65 57.45 2kcp s ILE 57 Cb 0.03 -3.13 -0.01 0.00 -1.06 0.00 0.00 42.46 38.30 2kcp s ILE 57 CO 0.12 -0.73 1.08 -0.63 -0.10 0.00 0.00 174.94 174.68 2kcp s ILE 58 N 0.67 4.61 0.24 2.92 1.01 -1.26 -5.04 121.20 124.35 2kcp s ILE 58 Ca 0.12 1.92 0.02 0.00 0.00 0.00 0.00 60.65 62.70 2kcp s ILE 58 Cb -0.22 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 2kcp s ILE 58 CO -0.04 -0.07 0.04 0.28 0.00 0.00 0.00 174.94 175.15 2kcp s THR 59 N 2.60 0.77 0.16 2.92 -1.32 -1.26 -4.73 115.64 114.78 2kcp s THR 59 Ca 0.49 -2.00 -0.31 0.00 -1.21 0.00 0.00 61.69 58.65 2kcp s THR 59 Cb -0.19 -2.45 -0.11 0.00 -1.51 0.00 0.00 72.50 68.25 2kcp s THR 59 CO 0.14 -0.20 1.72 -0.60 -2.21 0.00 0.00 174.62 173.48 2kcp s ARG 60 N -3.95 4.15 0.00 7.08 3.52 -1.26 -1.58 118.95 126.91 2kcp s ARG 60 Ca 0.32 2.53 0.00 0.00 -0.13 0.00 0.00 55.73 58.45 2kcp s ARG 60 Cb 0.07 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 2kcp s ARG 60 CO 0.10 -0.75 0.00 0.41 -0.81 0.00 0.00 175.30 174.25 2kcp n GLY 61 N 4.02 1.74 3.72 8.12 0.00 0.28 -5.02 105.19 118.06 2kcp n GLY 61 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.34 3.47 -0.27 4.61 0.00 -0.62 -4.70 121.76 121.92 2kcp s ALA 62 Ca 0.00 0.98 -0.14 0.00 0.00 0.00 0.00 51.96 52.80 2kcp s ALA 62 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2kcp s ALA 62 CO 0.00 -0.47 0.31 0.08 0.00 0.00 0.00 175.76 175.68 2kcp s VAL 63 N 0.60 5.22 -0.13 0.00 1.01 -1.26 -0.81 120.40 125.02 2kcp s VAL 63 Ca 0.58 0.44 -0.06 0.00 0.00 0.00 0.00 61.98 62.94 2kcp s VAL 63 Cb -0.33 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2kcp s VAL 63 CO 0.33 0.19 0.07 0.68 0.00 0.00 0.00 175.10 176.37 2kcp s VAL 64 N 1.93 4.87 -0.25 2.92 -7.23 0.09 -2.97 120.40 119.76 2kcp s VAL 64 Ca 0.12 -0.02 -0.25 0.00 -1.81 0.00 0.00 61.98 60.02 2kcp s VAL 64 Cb -0.16 -3.13 -0.00 0.00 0.56 0.00 0.00 36.38 33.65 2kcp s VAL 64 CO 0.10 0.56 0.86 -0.70 -0.31 0.00 0.00 175.10 175.61 2kcp s GLU 65 N -0.46 4.16 0.42 4.82 2.56 -0.35 -0.62 118.70 129.22 2kcp s GLU 65 Ca 0.10 0.96 0.03 0.00 0.00 0.00 0.00 54.97 56.07 2kcp s GLU 65 Cb -0.12 -3.66 -0.03 0.00 2.00 0.00 0.00 34.13 32.32 2kcp s GLU 65 CO 0.02 -0.57 0.07 0.95 -0.56 0.00 0.00 175.26 175.17 2kcp s THR 66 N 2.94 1.02 0.50 -1.70 -4.23 0.41 -0.41 115.64 114.18 2kcp s THR 66 Ca 0.36 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.06 2kcp s THR 66 Cb -0.15 -2.45 0.26 0.00 1.34 0.00 0.00 72.50 71.51 2kcp s THR 66 CO 0.08 0.00 2.12 -0.55 -0.54 0.00 0.00 174.62 175.73 2kcp h ASN 67 N 1.72 0.00 1.14 3.99 -1.07 -1.79 -1.60 115.58 117.97 2kcp h ASN 67 Ca -0.40 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 55.90 2kcp h ASN 67 Cb 1.28 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.51 2kcp h ASN 67 CO 0.67 0.06 -0.90 -0.07 0.07 0.00 0.00 177.43 177.26 2kcp h LEU 68 N 0.00 0.00 0.00 6.14 3.38 -1.96 -3.50 115.31 119.37 2kcp h LEU 68 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kcp h LEU 68 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2kcp h LEU 68 CO 0.01 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.43 2kcp n GLY 69 N 1.25 0.75 3.53 0.83 0.00 -0.60 -4.98 105.19 105.96 2kcp n GLY 69 Ca -0.02 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 6.27 -0.28 1.61 0.02 -0.22 -0.44 114.94 117.90 2kcp s ASN 70 Ca 0.00 -0.44 -0.13 0.00 -1.02 0.00 0.00 52.86 51.27 2kcp s ASN 70 Cb 0.00 -2.49 -0.04 0.00 0.02 0.00 0.00 41.25 38.74 2kcp s ASN 70 CO 0.00 -1.50 0.29 -0.69 0.02 0.00 0.00 177.10 175.22 2kcp s VAL 71 N 4.69 5.23 -0.30 1.60 1.01 0.20 -0.49 120.40 132.35 2kcp s VAL 71 Ca 0.32 0.37 -0.23 0.00 0.00 0.00 0.00 61.98 62.44 2kcp s VAL 71 Cb -0.11 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 2kcp s VAL 71 CO 0.17 0.18 0.77 -0.60 0.00 0.00 0.00 175.10 175.62 2kcp s ARG 72 N 1.93 3.99 -0.02 2.72 3.52 -0.08 -0.73 118.95 130.29 2kcp s ARG 72 Ca 0.11 0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 56.01 2kcp s ARG 72 Cb -0.16 -3.72 -0.06 0.00 -1.56 0.00 0.00 34.95 29.45 2kcp s ARG 72 CO 0.10 -0.64 1.69 0.08 -0.81 0.00 0.00 175.30 175.72 2kcp s VAL 73 N 2.89 3.41 -0.17 7.11 1.01 0.01 -1.40 120.40 133.26 2kcp s VAL 73 Ca 0.32 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.88 2kcp s VAL 73 Cb -0.14 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 2kcp s VAL 73 CO 0.12 -0.04 -0.16 0.35 0.00 0.00 0.00 175.10 175.37 2kcp n THR 74 N 5.32 0.95 -3.10 3.92 -2.24 0.05 -0.56 114.28 118.63 2kcp n THR 74 Ca 0.17 -0.34 -0.24 0.00 -2.27 0.00 0.00 64.05 61.37 2kcp n THR 74 Cb 0.42 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 2kcp n THR 74 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kcp s SER 75 N -5.78 6.04 0.00 3.42 0.01 -0.93 -4.87 113.70 111.59 2kcp s SER 75 Ca -0.23 0.40 -0.30 0.00 1.31 0.00 0.00 55.95 57.13 2kcp s SER 75 Cb 0.06 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.48 2kcp s SER 75 CO 0.37 -0.54 1.12 -0.13 0.41 0.00 0.00 173.24 174.47 2kcp s ARG 76 N -4.48 4.45 0.30 12.44 0.52 -1.26 -4.48 118.95 126.43 2kcp s ARG 76 Ca 0.45 1.62 0.05 0.00 -0.52 0.00 0.00 55.73 57.33 2kcp s ARG 76 Cb -0.10 -3.44 0.75 0.00 0.52 0.00 0.00 34.95 32.68 2kcp s ARG 76 CO 0.38 -0.25 1.73 -1.35 0.02 0.00 0.00 175.30 175.83 2kcp h PRO 77 N 6.97 0.53 -1.13 3.54 0.11 -1.84 0.08 132.00 140.27 2kcp h PRO 77 Ca -0.39 -0.03 -0.42 0.00 0.11 0.00 0.00 66.00 65.27 2kcp h PRO 77 Cb 1.20 -0.12 -0.22 0.00 0.11 0.00 0.00 31.00 31.97 2kcp h PRO 77 CO 0.81 0.35 0.54 0.41 -0.21 0.00 0.00 178.00 179.91 2kcp n GLY 78 N -1.32 4.29 0.00 -0.55 0.00 -1.26 -3.26 105.19 103.08 2kcp n GLY 78 Ca 0.23 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2kcp n GLY 78 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kcp n GLN 79 N -0.48 0.00 -0.95 1.61 7.27 0.01 -4.52 117.38 120.33 2kcp n GLN 79 Ca 0.44 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.51 2kcp n GLN 79 Cb 1.02 -0.50 0.35 0.00 2.41 0.00 0.00 30.24 33.52 2kcp n GLN 79 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2kcp n ASP 80 N -0.44 5.20 0.00 1.69 8.00 -1.26 -4.87 116.55 124.87 2kcp n ASP 80 Ca 0.00 -3.10 0.00 0.00 0.71 0.00 0.00 54.79 52.40 2kcp n ASP 80 Cb 0.00 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 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 0.16 0.56 3.13 0.44 0.00 -1.26 -4.57 105.19 103.66 2kcp n GLY 81 Ca 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.31 0.09 0.02 1.61 0.11 -1.20 -0.91 120.40 117.81 2kcp s VAL 82 Ca 0.00 -0.77 -0.09 0.00 -2.93 0.00 0.00 61.98 58.19 2kcp s VAL 82 Cb 0.00 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 34.19 2kcp s VAL 82 CO 0.00 -0.42 0.32 -0.63 -3.33 0.00 0.00 175.10 171.03 2kcp s ILE 83 N -1.80 5.21 0.11 7.04 1.01 -1.26 -4.51 121.20 127.01 2kcp s ILE 83 Ca -0.11 0.35 0.10 0.00 0.00 0.00 0.00 60.65 60.98 2kcp s ILE 83 Cb -0.05 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 2kcp s ILE 83 CO -0.00 0.38 -0.24 0.20 0.00 0.00 0.00 174.94 175.28 2kcp s ASN 84 N -1.60 3.46 0.01 3.58 -0.87 -1.26 -0.24 114.94 118.02 2kcp s ASN 84 Ca 0.28 -0.67 -0.00 0.00 -1.57 0.00 0.00 52.86 50.90 2kcp s ASN 84 Cb -0.14 -0.33 0.00 0.00 -0.02 0.00 0.00 41.25 40.77 2kcp s ASN 84 CO 0.16 0.19 0.02 0.61 -2.57 0.00 0.00 177.10 175.51 2kcp n GLY 85 N 1.04 1.78 3.35 0.66 0.00 0.25 -0.77 105.19 111.50 2kcp n GLY 85 Ca -0.17 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 2kcp n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kcp s VAL 86 N -2.86 2.10 -0.38 1.61 1.01 -0.49 -0.34 120.40 121.04 2kcp s VAL 86 Ca 0.00 -1.56 -0.21 0.00 0.00 0.00 0.00 61.98 60.21 2kcp s VAL 86 Cb -0.00 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.55 2kcp s VAL 86 CO 0.00 0.17 0.69 -0.22 0.00 0.00 0.00 175.10 175.75 2kcp s LEU 87 N -1.70 4.25 0.00 3.92 2.96 -0.48 -0.90 118.68 126.73 2kcp s LEU 87 Ca 0.12 0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 2kcp s LEU 87 Cb -0.10 -2.86 -0.01 0.00 0.50 0.00 0.00 46.19 43.72 2kcp s LEU 87 CO 0.04 -0.69 0.09 2.30 -1.32 0.00 0.00 176.35 176.77 2kcp n ILE 88 N 5.73 0.00 -3.43 6.68 -5.35 0.36 -4.41 119.36 118.94 2kcp n ILE 88 Ca 0.00 -0.88 -0.22 0.00 -0.27 0.00 0.00 62.75 61.39 2kcp n ILE 88 Cb 0.48 0.40 -0.11 0.00 -1.74 0.00 0.00 39.64 38.67 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 -2.52 0.43 0.00 6.28 1.81 -1.26 -1.05 118.95 122.64 2kcp s ARG 89 Ca 0.12 -0.65 0.25 0.00 -1.72 0.00 0.00 55.73 53.73 2kcp s ARG 89 Cb 0.01 -0.89 0.42 0.00 -0.45 0.00 0.00 34.95 34.03 2kcp s ARG 89 CO 0.09 -1.11 1.35 0.39 -0.68 0.00 0.00 175.30 175.34 2kcp n GLU 90 N 4.75 0.94 -4.39 3.54 1.02 -1.26 -4.94 120.64 120.31 2kcp n GLU 90 Ca 0.04 -0.67 -0.28 0.00 -0.02 0.00 0.00 57.16 56.23 2kcp n GLU 90 Cb 0.43 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.30 2kcp n GLU 90 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kcp s LEU 91 N -2.52 2.72 -0.48 -4.62 1.43 -1.26 -5.06 118.68 108.89 2kcp s LEU 91 Ca 0.21 -1.36 -0.46 0.00 -1.03 0.00 0.00 54.13 51.50 2kcp s LEU 91 Cb 0.19 -1.05 -0.19 0.00 0.03 0.00 0.00 46.19 45.16 2kcp s LEU 91 CO 0.56 -0.74 1.71 -0.62 0.23 0.00 0.00 176.35 177.49 2kcp n GLU 92 N -1.30 0.14 -0.05 1.70 -0.58 -1.26 -4.85 120.64 114.44 2kcp n GLU 92 Ca -0.08 0.05 0.03 0.00 -0.42 0.00 0.00 57.16 56.74 2kcp n GLU 92 Cb 0.66 -1.58 0.06 0.00 -0.57 0.00 0.00 31.44 30.01 2kcp n GLU 92 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2kcp n HIS 93 N 4.77 0.07 1.70 -0.32 -0.00 -1.26 -4.71 115.22 115.47 2kcp n HIS 93 Ca 0.34 -0.64 0.04 0.00 -0.00 0.00 0.00 57.72 57.46 2kcp n HIS 93 Cb -0.03 -0.08 0.15 0.00 -0.00 0.00 0.00 29.99 30.03 2kcp n HIS 93 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kcp n HIS 94 N -0.67 0.12 0.30 1.57 8.25 -1.26 -4.07 115.22 119.46 2kcp n HIS 94 Ca 0.06 -0.06 0.19 0.00 -0.26 0.00 0.00 57.72 57.65 2kcp n HIS 94 Cb 0.39 0.00 1.00 0.00 1.12 0.00 0.00 29.99 32.50 2kcp n HIS 94 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kcp h HIS 95 N 0.61 0.00 0.00 4.41 2.76 -2.00 0.11 115.15 121.04 2kcp h HIS 95 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2kcp h HIS 95 Cb 0.14 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.10 2kcp h HIS 95 CO 0.06 0.00 0.00 1.25 -1.30 0.00 0.00 177.93 177.94 2kcp h HIS 96 N 0.00 0.00 -3.81 5.26 -0.00 -2.00 -3.45 115.15 111.16 2kcp h HIS 96 Ca 0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 60.37 59.69 2kcp h HIS 96 Cb 0.07 0.00 -0.20 0.00 -0.00 0.00 0.00 27.41 27.29 2kcp h HIS 96 CO 0.00 0.00 -0.79 -1.58 -0.00 0.00 0.00 177.93 175.56 2kcp s HIS 97 N -3.22 2.60 0.00 5.26 5.65 0.38 -5.28 115.29 120.68 2kcp s HIS 97 Ca 0.08 -0.23 0.00 0.00 0.25 0.00 0.00 55.06 55.16 2kcp s HIS 97 Cb 0.10 -1.43 0.00 0.00 -1.18 0.00 0.00 32.58 30.07 2kcp s HIS 97 CO 0.54 0.33 0.00 1.58 -0.65 0.00 0.00 174.74 176.54