#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 -0.30 -0.43 1.61 -4.77 -1.26 -5.11 116.67 106.41 2kcp s ASP 2 Ca 0.00 0.34 0.05 0.00 -3.30 0.00 0.00 52.55 49.64 2kcp s ASP 2 Cb 0.00 0.47 0.17 0.00 -1.09 0.00 0.00 42.92 42.47 2kcp s ASP 2 CO 0.00 -0.39 0.44 0.00 0.70 0.00 0.00 175.17 175.92 2kcp s ARG 3 N -0.92 0.91 -1.06 2.11 3.03 -1.26 -5.08 118.95 116.68 2kcp s ARG 3 Ca -0.10 -1.71 -0.19 0.00 2.03 0.00 0.00 55.73 55.76 2kcp s ARG 3 Cb -0.04 -1.01 0.10 0.00 -1.03 0.00 0.00 34.95 32.97 2kcp s ARG 3 CO 0.04 -1.35 1.39 -0.98 -1.13 0.00 0.00 175.30 173.27 2kcp s ARG 4 N 0.42 3.73 -0.65 3.89 1.04 -1.26 -4.90 118.95 121.22 2kcp s ARG 4 Ca 0.30 -1.69 -0.06 0.00 -1.04 0.00 0.00 55.73 53.24 2kcp s ARG 4 Cb 0.00 -5.20 -0.15 0.00 -2.04 0.00 0.00 34.95 27.57 2kcp s ARG 4 CO -0.14 -2.01 2.81 1.33 -0.04 0.00 0.00 175.30 177.25 2kcp n VAL 5 N 6.01 2.95 -1.87 4.99 0.24 -1.26 -4.78 118.33 124.61 2kcp n VAL 5 Ca 0.33 -1.64 -0.42 0.00 -2.04 0.00 0.00 64.34 60.57 2kcp n VAL 5 Cb 0.48 -2.15 -0.00 0.00 -1.47 0.00 0.00 33.84 30.70 2kcp n VAL 5 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kcp n ARG 6 N 3.22 3.28 0.07 7.34 5.12 -1.26 -4.62 116.66 129.81 2kcp n ARG 6 Ca 0.49 -2.88 -0.19 0.00 -1.93 0.00 0.00 57.85 53.34 2kcp n ARG 6 Cb 0.47 -3.09 -0.10 0.00 -1.16 0.00 0.00 32.46 28.58 2kcp n ARG 6 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2kcp h LEU 7 N 8.76 0.78 -9.53 0.55 6.46 -2.04 -3.45 115.31 116.84 2kcp h LEU 7 Ca 0.56 -0.68 -0.52 0.00 -0.12 0.00 0.00 57.88 57.12 2kcp h LEU 7 Cb 0.57 -0.24 0.04 0.00 -0.73 0.00 0.00 40.66 40.30 2kcp h LEU 7 CO 1.78 1.48 1.10 -0.51 -0.62 0.00 0.00 178.44 181.67 2kcp s ILE 8 N -3.14 2.48 0.43 4.05 -1.16 -1.26 -5.01 121.20 117.59 2kcp s ILE 8 Ca -0.08 0.04 0.04 0.00 -0.51 0.00 0.00 60.65 60.14 2kcp s ILE 8 Cb 0.07 -3.03 -0.05 0.00 0.61 0.00 0.00 42.46 40.06 2kcp s ILE 8 CO 0.91 0.00 0.03 -0.13 -2.81 0.00 0.00 174.94 172.94 2kcp s ARG 9 N 2.59 1.99 0.56 3.50 0.52 -1.26 -5.13 118.95 121.71 2kcp s ARG 9 Ca 0.80 -2.19 -0.21 0.00 -0.52 0.00 0.00 55.73 53.62 2kcp s ARG 9 Cb -0.46 -1.35 -0.05 0.00 0.52 0.00 0.00 34.95 33.60 2kcp s ARG 9 CO 0.36 -0.23 1.28 -2.37 0.02 0.00 0.00 175.30 174.36 2kcp n THR 10 N -1.02 3.86 0.00 0.02 5.66 -1.26 -4.94 114.28 116.60 2kcp n THR 10 Ca -0.09 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.46 2kcp n THR 10 Cb 0.67 -1.55 -0.12 0.00 -1.55 0.00 0.00 70.33 67.78 2kcp n THR 10 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2kcp n ARG 11 N -1.04 0.65 0.00 1.09 0.63 -1.26 -5.10 116.66 111.64 2kcp n ARG 11 Ca 0.11 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 2kcp n ARG 11 Cb 0.45 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.74 2kcp n ARG 11 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kcp n GLY 12 N 1.35 0.42 0.43 5.14 0.00 -1.26 -5.10 105.19 106.17 2kcp n GLY 12 Ca -0.09 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2kcp n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kcp n GLY 13 N 0.00 -2.12 0.56 -0.02 0.00 -1.26 -5.15 105.19 97.19 2kcp n GLY 13 Ca 0.00 0.66 -0.04 0.00 0.00 0.00 0.00 46.02 46.64 2kcp n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kcp n ASN 14 N -1.32 0.11 -4.59 1.61 5.03 -1.26 -4.97 115.26 109.86 2kcp n ASN 14 Ca 0.00 -1.12 -0.42 0.00 0.87 0.00 0.00 54.58 53.91 2kcp n ASN 14 Cb 0.00 -0.12 -0.03 0.00 -1.02 0.00 0.00 39.78 38.61 2kcp n ASN 14 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2kcp s THR 15 N -0.83 3.53 1.07 3.41 2.01 -1.26 -4.98 115.64 118.59 2kcp s THR 15 Ca 0.10 0.51 -0.13 0.00 0.31 0.00 0.00 61.69 62.48 2kcp s THR 15 Cb -0.00 -3.82 0.23 0.00 0.01 0.00 0.00 72.50 68.92 2kcp s THR 15 CO 0.07 -0.59 1.07 -1.59 -0.69 0.00 0.00 174.62 172.89 2kcp s LYS 16 N 5.81 -0.14 0.49 4.92 0.00 -1.26 -4.99 119.74 124.57 2kcp s LYS 16 Ca 0.73 0.59 -0.23 0.00 0.00 0.00 0.00 55.97 57.07 2kcp s LYS 16 Cb -0.19 -1.66 -0.06 0.00 0.00 0.00 0.00 37.83 35.92 2kcp s LYS 16 CO 0.31 -3.14 1.25 0.54 0.00 0.00 0.00 175.35 174.31 2kcp s VAL 17 N -2.79 2.68 1.16 1.79 0.11 -1.26 -5.01 120.40 117.08 2kcp s VAL 17 Ca 0.67 0.52 -0.14 0.00 -2.93 0.00 0.00 61.98 60.09 2kcp s VAL 17 Cb -0.21 -3.26 0.25 0.00 -1.53 0.00 0.00 36.38 31.63 2kcp s VAL 17 CO 0.60 -0.00 0.82 -2.11 -3.33 0.00 0.00 175.10 171.07 2kcp n ARG 18 N -0.67 -2.25 -1.68 1.54 -4.01 -1.26 -4.87 116.66 103.45 2kcp n ARG 18 Ca 0.08 -0.63 -0.42 0.00 -1.04 0.00 0.00 57.85 55.84 2kcp n ARG 18 Cb 0.47 -2.08 -0.03 0.00 -3.04 0.00 0.00 32.46 27.78 2kcp n ARG 18 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 2kcp s LEU 19 N -6.00 4.41 0.40 2.89 0.20 -1.09 -4.68 118.68 114.80 2kcp s LEU 19 Ca 0.66 2.64 0.00 0.00 0.69 0.00 0.00 54.13 58.12 2kcp s LEU 19 Cb -0.23 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.00 2kcp s LEU 19 CO 0.65 -1.08 0.00 0.00 -0.29 0.00 0.00 176.35 175.64 2kcp n ALA 20 N 7.64 1.17 -0.07 5.97 0.00 -1.26 -4.99 120.51 128.97 2kcp n ALA 20 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.50 2kcp n ALA 20 Cb 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.74 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 0.00 -3.62 0.00 0.02 -1.98 -3.46 113.55 104.51 2kcp h SER 21 Ca 0.00 -0.89 -0.68 0.00 -0.84 0.00 0.00 61.79 59.38 2kcp h SER 21 Cb 0.00 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.34 2kcp h SER 21 CO 0.00 1.01 -0.70 -1.81 -1.14 0.00 0.00 176.83 174.19 2kcp s ASP 22 N -6.23 4.60 -0.41 3.07 1.01 -1.26 -5.09 116.67 112.37 2kcp s ASP 22 Ca -0.19 -0.06 -0.28 0.00 0.71 0.00 0.00 52.55 52.74 2kcp s ASP 22 Cb -0.02 -1.26 0.02 0.00 1.01 0.00 0.00 42.92 42.68 2kcp s ASP 22 CO 0.64 0.33 1.03 -0.89 0.21 0.00 0.00 175.17 176.49 2kcp s THR 23 N -0.60 4.42 0.20 -1.27 2.01 -1.26 -4.79 115.64 114.35 2kcp s THR 23 Ca 0.09 1.26 0.02 0.00 0.31 0.00 0.00 61.69 63.37 2kcp s THR 23 Cb -0.12 -4.46 -0.05 0.00 0.01 0.00 0.00 72.50 67.88 2kcp s THR 23 CO 0.02 -0.73 0.01 -0.13 -0.69 0.00 0.00 174.62 173.10 2kcp s ARG 24 N 3.90 1.21 -0.17 4.92 0.52 -1.26 -1.24 118.95 126.83 2kcp s ARG 24 Ca 0.43 -1.60 -0.10 0.00 -0.52 0.00 0.00 55.73 53.94 2kcp s ARG 24 Cb -0.10 -0.36 0.06 0.00 0.52 0.00 0.00 34.95 35.07 2kcp s ARG 24 CO 0.24 -0.14 0.41 -1.50 0.02 0.00 0.00 175.30 174.32 2kcp s ILE 25 N -3.61 -0.02 -0.55 1.52 2.07 0.18 -4.45 121.20 116.35 2kcp s ILE 25 Ca 0.27 0.08 -0.27 0.00 -1.41 0.00 0.00 60.65 59.32 2kcp s ILE 25 Cb 0.06 -0.60 -0.00 0.00 0.13 0.00 0.00 42.46 42.04 2kcp s ILE 25 CO 0.06 0.03 1.63 0.20 -1.91 0.00 0.00 174.94 174.96 2kcp s ASN 26 N 1.25 5.79 -0.19 4.50 -0.87 0.79 -0.26 114.94 125.94 2kcp s ASN 26 Ca -0.08 0.44 -0.14 0.00 -1.57 0.00 0.00 52.86 51.50 2kcp s ASN 26 Cb -0.08 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.57 2kcp s ASN 26 CO -0.11 -1.95 0.32 -0.69 -2.57 0.00 0.00 177.10 172.10 2kcp s VAL 27 N 7.25 5.26 -0.36 1.60 1.01 0.71 -1.46 120.40 134.42 2kcp s VAL 27 Ca 0.61 0.57 -0.14 0.00 0.00 0.00 0.00 61.98 63.02 2kcp s VAL 27 Cb -0.13 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2kcp s VAL 27 CO 0.24 0.32 0.30 -0.69 0.00 0.00 0.00 175.10 175.27 2kcp s VAL 28 N 0.97 5.24 -0.05 2.92 1.01 0.75 -1.22 120.40 130.00 2kcp s VAL 28 Ca 0.16 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 2kcp s VAL 28 Cb -0.14 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2kcp s VAL 28 CO 0.06 -0.11 1.13 -0.62 0.00 0.00 0.00 175.10 175.57 2kcp s ASP 29 N 1.72 7.13 0.00 3.32 2.15 0.34 -0.87 116.67 130.46 2kcp s ASP 29 Ca 0.08 1.75 0.27 0.00 0.43 0.00 0.00 52.55 55.08 2kcp s ASP 29 Cb -0.17 -2.56 0.95 0.00 -0.30 0.00 0.00 42.92 40.84 2kcp s ASP 29 CO 0.11 -0.51 1.73 -0.81 -0.17 0.00 0.00 175.17 175.52 2kcp n PRO 30 N 4.92 0.01 -0.00 4.34 -0.04 -1.26 -0.94 135.00 142.03 2kcp n PRO 30 Ca 0.10 -0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.38 2kcp n PRO 30 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.01 0.47 0.00 0.54 4.39 -1.92 -3.41 114.58 114.66 2kcp h GLU 31 Ca 0.00 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2kcp h GLU 31 Cb 0.50 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2kcp h GLU 31 CO 0.00 1.10 -0.84 0.25 -1.16 0.00 0.00 179.01 178.37 2kcp n THR 32 N -4.20 0.00 0.00 1.13 -2.24 -1.25 -5.04 114.28 102.68 2kcp n THR 32 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2kcp n THR 32 Cb 0.66 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 2.68 0.93 3.77 3.38 0.00 -0.12 -5.09 105.19 110.74 2kcp n GLY 33 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.50 4.16 -0.13 1.61 -2.85 -1.24 -4.65 119.74 116.14 2kcp s LYS 34 Ca 0.00 1.80 0.00 0.00 -1.00 0.00 0.00 55.97 56.78 2kcp s LYS 34 Cb 0.00 -2.74 -0.01 0.00 -2.06 0.00 0.00 37.83 33.02 2kcp s LYS 34 CO 0.00 -0.21 -0.14 0.08 0.10 0.00 0.00 175.35 175.17 2kcp s VAL 35 N -1.40 2.91 0.01 1.79 1.01 -1.26 -0.50 120.40 122.95 2kcp s VAL 35 Ca 0.55 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 2kcp s VAL 35 Cb -0.30 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 2kcp s VAL 35 CO 0.38 0.52 -0.00 -0.70 0.00 0.00 0.00 175.10 175.30 2kcp s GLU 36 N 0.42 0.20 -0.62 2.72 2.56 -0.36 -4.95 118.70 118.66 2kcp s GLU 36 Ca -0.11 -0.34 -0.23 0.00 0.00 0.00 0.00 54.97 54.30 2kcp s GLU 36 Cb -0.16 0.07 0.06 0.00 2.00 0.00 0.00 34.13 36.10 2kcp s GLU 36 CO 0.05 -0.03 0.94 0.42 -0.56 0.00 0.00 175.26 176.08 2kcp s ILE 37 N -0.85 4.37 0.59 -3.70 1.01 -1.26 -0.21 121.20 121.16 2kcp s ILE 37 Ca -0.09 -0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.30 2kcp s ILE 37 Cb -0.06 -4.63 0.01 0.00 0.01 0.00 0.00 42.46 37.80 2kcp s ILE 37 CO -0.00 -1.33 0.90 0.00 0.00 0.00 0.00 174.94 174.50 2kcp s ALA 38 N 3.96 3.31 -0.23 9.38 0.00 0.65 -4.78 121.76 134.05 2kcp s ALA 38 Ca 0.24 -0.73 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 2kcp s ALA 38 Cb -0.16 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 2kcp s ALA 38 CO 0.13 -0.82 0.10 -1.21 0.00 0.00 0.00 175.76 173.96 2kcp s GLU 39 N -4.99 3.85 -0.33 0.00 2.02 -1.26 -0.64 118.70 117.34 2kcp s GLU 39 Ca 0.54 -0.39 -0.26 0.00 0.02 0.00 0.00 54.97 54.89 2kcp s GLU 39 Cb -0.11 -3.37 0.01 0.00 0.10 0.00 0.00 34.13 30.77 2kcp s GLU 39 CO 0.45 -0.01 0.91 0.42 0.02 0.00 0.00 175.26 177.05 2kcp s ILE 40 N 1.17 4.65 -0.14 -1.63 1.01 -0.37 -2.28 121.20 123.61 2kcp s ILE 40 Ca 0.05 1.32 -0.17 0.00 0.00 0.00 0.00 60.65 61.85 2kcp s ILE 40 Cb -0.14 -4.28 -0.14 0.00 0.01 0.00 0.00 42.46 37.90 2kcp s ILE 40 CO 0.04 -0.41 0.31 0.03 0.00 0.00 0.00 174.94 174.91 2kcp h ARG 41 N 8.24 0.00 -5.10 2.79 3.08 -0.37 -3.46 114.38 119.56 2kcp h ARG 41 Ca -0.23 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.42 2kcp h ARG 41 Cb 1.08 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.99 2kcp h ARG 41 CO 0.96 0.59 -0.63 -0.80 -1.07 0.00 0.00 179.97 179.01 2kcp s ASN 42 N -6.11 1.88 -0.34 7.04 0.01 -1.09 -4.97 114.94 111.37 2kcp s ASN 42 Ca -0.15 -1.30 -0.01 0.00 -0.71 0.00 0.00 52.86 50.69 2kcp s ASN 42 Cb 0.00 0.01 0.11 0.00 0.41 0.00 0.00 41.25 41.79 2kcp s ASN 42 CO 0.42 -0.58 0.15 0.68 -1.51 0.00 0.00 177.10 176.25 2kcp s VAL 43 N -3.44 0.71 0.34 1.60 -7.23 -1.26 -1.43 120.40 109.68 2kcp s VAL 43 Ca 0.33 -1.59 0.07 0.00 -1.81 0.00 0.00 61.98 58.98 2kcp s VAL 43 Cb 0.07 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 2kcp s VAL 43 CO 0.12 -0.78 0.31 0.55 -0.31 0.00 0.00 175.10 174.99 2kcp n VAL 44 N 4.51 0.00 -4.19 1.32 3.14 -0.13 -4.92 118.33 118.05 2kcp n VAL 44 Ca 0.02 -2.37 -0.12 0.00 -2.96 0.00 0.00 64.34 58.91 2kcp n VAL 44 Cb 0.40 1.21 -0.10 0.00 -1.06 0.00 0.00 33.84 34.29 2kcp n VAL 44 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 2kcp s GLU 45 N -3.30 1.17 -0.91 1.45 -1.05 -1.26 -0.34 118.70 114.47 2kcp s GLU 45 Ca 0.39 -1.60 -0.26 0.00 -0.15 0.00 0.00 54.97 53.35 2kcp s GLU 45 Cb 0.02 0.27 -0.14 0.00 -0.44 0.00 0.00 34.13 33.84 2kcp s GLU 45 CO 0.28 -0.38 2.23 0.54 0.95 0.00 0.00 175.26 178.88 2kcp s ASN 46 N -3.14 4.08 0.09 0.83 2.20 -1.26 -4.88 114.94 112.86 2kcp s ASN 46 Ca 0.37 -0.43 0.02 0.00 -0.94 0.00 0.00 52.86 51.87 2kcp s ASN 46 Cb 0.07 -2.57 -0.04 0.00 -2.00 0.00 0.00 41.25 36.71 2kcp s ASN 46 CO 0.11 -3.83 -0.06 0.28 -2.94 0.00 0.00 177.10 170.65 2kcp s THR 47 N 14.21 0.67 -0.18 0.54 -1.32 -1.26 -5.14 115.64 123.16 2kcp s THR 47 Ca 0.84 -1.89 -0.23 0.00 -1.21 0.00 0.00 61.69 59.20 2kcp s THR 47 Cb -0.09 -1.63 -0.02 0.00 -1.51 0.00 0.00 72.50 69.25 2kcp s THR 47 CO 0.09 -0.86 0.74 0.00 -2.21 0.00 0.00 174.62 172.38 2kcp s ALA 48 N -3.53 3.53 -0.19 11.08 0.00 -1.26 -4.55 121.76 126.84 2kcp s ALA 48 Ca 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 2kcp s ALA 48 Cb 0.05 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.07 2kcp s ALA 48 CO -0.05 -0.62 0.08 0.09 0.00 0.00 0.00 175.76 175.27 2kcp n ASN 49 N 5.17 -3.91 -1.88 0.00 3.02 -1.26 -4.81 115.26 111.59 2kcp n ASN 49 Ca 0.02 1.04 -0.04 0.00 -0.03 0.00 0.00 54.58 55.57 2kcp n ASN 49 Cb 0.49 -4.19 -0.05 0.00 -0.61 0.00 0.00 39.78 35.41 2kcp n ASN 49 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2kcp n PRO 50 N 0.85 1.00 -0.05 3.52 -0.04 -1.26 -4.12 135.00 134.90 2kcp n PRO 50 Ca -0.14 -0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.13 2kcp n PRO 50 Cb 0.22 -1.47 0.40 0.00 -0.04 0.00 0.00 33.50 32.61 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 2.11 0.14 1.46 0.54 8.25 -1.26 -4.13 115.22 122.33 2kcp n HIS 51 Ca 0.13 -0.07 0.11 0.00 -0.26 0.00 0.00 57.72 57.64 2kcp n HIS 51 Cb 0.48 0.00 0.47 0.00 1.12 0.00 0.00 29.99 32.05 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 0.44 0.12 -1.93 4.41 3.72 -1.26 -4.76 117.46 118.20 2kcp n PHE 52 Ca 0.17 -0.06 -0.29 0.00 -0.05 0.00 0.00 57.45 57.22 2kcp n PHE 52 Cb 0.38 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.88 2kcp n PHE 52 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2kcp s VAL 53 N -1.88 3.31 -0.08 -4.37 1.01 -1.26 -4.81 120.40 112.32 2kcp s VAL 53 Ca 0.34 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 2kcp s VAL 53 Cb 0.18 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2kcp s VAL 53 CO 0.27 -0.70 -0.09 -0.09 0.00 0.00 0.00 175.10 174.49 2kcp h ARG 54 N 13.43 0.00 0.00 2.72 2.43 -1.96 -3.44 114.38 127.56 2kcp h ARG 54 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2kcp h ARG 54 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2kcp h ARG 54 CO 1.18 0.00 -0.00 -2.13 -1.51 0.00 0.00 179.97 177.51 2kcp n ARG 55 N -3.75 1.90 -1.46 0.20 0.63 -1.26 -5.01 116.66 107.91 2kcp n ARG 55 Ca -0.04 -1.15 -0.16 0.00 -0.92 0.00 0.00 57.85 55.59 2kcp n ARG 55 Cb 0.14 -0.82 -0.07 0.00 0.45 0.00 0.00 32.46 32.16 2kcp n ARG 55 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2kcp n ASN 56 N -0.32 -5.49 -4.58 6.15 4.13 -1.26 -4.89 115.26 108.99 2kcp n ASN 56 Ca 0.00 0.39 -0.41 0.00 1.68 0.00 0.00 54.58 56.24 2kcp n ASN 56 Cb 0.34 -4.37 -0.03 0.00 -1.54 0.00 0.00 39.78 34.18 2kcp n ASN 56 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2kcp s ILE 57 N -2.39 3.28 -0.17 2.41 1.01 -1.26 -4.94 121.20 119.15 2kcp s ILE 57 Ca 0.00 0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 2kcp s ILE 57 Cb 0.00 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 2kcp s ILE 57 CO 0.00 -0.36 1.44 -0.63 0.00 0.00 0.00 174.94 175.39 2kcp s ILE 58 N 8.51 3.96 0.27 2.92 1.01 -1.26 -5.00 121.20 131.62 2kcp s ILE 58 Ca 0.85 1.14 -0.06 0.00 0.00 0.00 0.00 60.65 62.57 2kcp s ILE 58 Cb -0.22 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 2kcp s ILE 58 CO 0.30 -0.20 0.40 0.28 0.00 0.00 0.00 174.94 175.72 2kcp s THR 59 N 4.10 0.00 0.36 2.92 -1.32 -1.26 -4.70 115.64 115.74 2kcp s THR 59 Ca 0.63 -1.61 -0.28 0.00 -1.21 0.00 0.00 61.69 59.22 2kcp s THR 59 Cb -0.25 -2.43 -0.12 0.00 -1.51 0.00 0.00 72.50 68.20 2kcp s THR 59 CO 0.22 0.00 1.33 0.54 -2.21 0.00 0.00 174.62 174.51 2kcp n ARG 60 N -0.43 2.23 0.00 7.08 1.74 -1.26 -2.47 116.66 123.55 2kcp n ARG 60 Ca 0.00 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.86 2kcp n ARG 60 Cb 0.63 -2.42 0.00 0.00 -1.02 0.00 0.00 32.46 29.65 2kcp n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kcp n GLY 61 N 0.70 3.02 3.84 -0.13 0.00 -0.46 -4.98 105.19 107.17 2kcp n GLY 61 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.14 2.99 -0.15 4.61 0.00 -1.03 -4.76 121.76 121.28 2kcp s ALA 62 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.12 2kcp s ALA 62 Cb 0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 2kcp s ALA 62 CO 0.00 -0.47 -0.11 0.08 0.00 0.00 0.00 175.76 175.27 2kcp s VAL 63 N -2.71 3.16 -0.20 0.00 1.01 0.54 -0.71 120.40 121.49 2kcp s VAL 63 Ca 0.59 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 2kcp s VAL 63 Cb -0.11 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2kcp s VAL 63 CO 0.37 0.50 0.08 0.68 0.00 0.00 0.00 175.10 176.74 2kcp s VAL 64 N 0.58 4.86 -0.42 2.92 -7.23 0.62 -0.96 120.40 120.78 2kcp s VAL 64 Ca -0.07 -0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.81 2kcp s VAL 64 Cb -0.15 -3.22 0.02 0.00 0.56 0.00 0.00 36.38 33.59 2kcp s VAL 64 CO 0.03 0.42 1.29 -0.70 -0.31 0.00 0.00 175.10 175.83 2kcp s GLU 65 N 0.66 3.68 0.49 4.82 2.56 -0.52 -1.37 118.70 129.03 2kcp s GLU 65 Ca 0.04 0.85 0.04 0.00 0.00 0.00 0.00 54.97 55.90 2kcp s GLU 65 Cb -0.13 -3.96 -0.01 0.00 2.00 0.00 0.00 34.13 32.03 2kcp s GLU 65 CO 0.01 -1.43 0.16 0.95 -0.56 0.00 0.00 175.26 174.40 2kcp s THR 66 N 4.91 1.62 0.52 -1.70 -4.23 0.44 0.41 115.64 117.60 2kcp s THR 66 Ca 0.55 -1.78 0.17 0.00 -1.18 0.00 0.00 61.69 59.45 2kcp s THR 66 Cb -0.12 -2.40 0.29 0.00 1.34 0.00 0.00 72.50 71.62 2kcp s THR 66 CO 0.31 0.00 2.12 -0.55 -0.54 0.00 0.00 174.62 175.96 2kcp h ASN 67 N 1.22 0.02 1.03 3.99 -1.07 -1.83 -0.23 115.58 118.72 2kcp h ASN 67 Ca -0.42 -0.00 -0.20 0.00 0.07 0.00 0.00 56.30 55.76 2kcp h ASN 67 Cb 1.29 -0.01 -0.03 0.00 -2.07 0.00 0.00 38.32 37.51 2kcp h ASN 67 CO 0.69 0.02 -0.99 -0.07 0.07 0.00 0.00 177.43 177.15 2kcp h LEU 68 N 0.03 0.00 0.00 6.14 3.38 -1.95 -3.50 115.31 119.40 2kcp h LEU 68 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kcp h LEU 68 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2kcp h LEU 68 CO -0.00 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.03 2kcp n GLY 69 N 1.35 0.54 3.66 0.83 0.00 -0.10 -5.05 105.19 106.42 2kcp n GLY 69 Ca -0.02 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 6.68 -0.13 1.61 0.02 -1.25 -0.42 114.94 117.45 2kcp s ASN 70 Ca 0.00 2.23 0.01 0.00 -1.02 0.00 0.00 52.86 54.08 2kcp s ASN 70 Cb 0.00 -2.54 0.02 0.00 0.02 0.00 0.00 41.25 38.75 2kcp s ASN 70 CO 0.00 -0.92 -0.13 -0.69 0.02 0.00 0.00 177.10 175.38 2kcp s VAL 71 N 3.92 1.44 -0.29 1.60 1.01 -0.47 -0.48 120.40 127.14 2kcp s VAL 71 Ca 0.73 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.93 2kcp s VAL 71 Cb -0.33 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 2kcp s VAL 71 CO 0.29 0.44 0.65 -0.60 0.00 0.00 0.00 175.10 175.88 2kcp s ARG 72 N 1.36 3.97 0.16 2.72 3.52 -0.19 -0.27 118.95 130.21 2kcp s ARG 72 Ca 0.01 0.41 -0.32 0.00 -0.13 0.00 0.00 55.73 55.71 2kcp s ARG 72 Cb -0.13 -3.71 -0.11 0.00 -1.56 0.00 0.00 34.95 29.44 2kcp s ARG 72 CO -0.07 -0.54 1.69 0.08 -0.81 0.00 0.00 175.30 175.65 2kcp s VAL 73 N 2.63 2.42 -0.03 7.11 1.01 0.11 -0.60 120.40 133.06 2kcp s VAL 73 Ca 0.27 0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.38 2kcp s VAL 73 Cb -0.15 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2kcp s VAL 73 CO 0.11 0.01 -0.12 0.35 0.00 0.00 0.00 175.10 175.45 2kcp n THR 74 N 4.22 0.96 -2.26 3.92 -2.24 0.00 -1.35 114.28 117.53 2kcp n THR 74 Ca 0.16 0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.88 2kcp n THR 74 Cb 0.37 -1.76 -0.02 0.00 -2.10 0.00 0.00 70.33 66.83 2kcp n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kcp s SER 75 N -5.51 6.35 -0.29 3.42 0.15 -1.24 -4.74 113.70 111.84 2kcp s SER 75 Ca -0.10 1.63 -0.28 0.00 0.70 0.00 0.00 55.95 57.90 2kcp s SER 75 Cb 0.01 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 2kcp s SER 75 CO 0.15 -0.78 2.05 -0.60 1.20 0.00 0.00 173.24 175.27 2kcp s ARG 76 N -4.14 3.13 0.18 5.44 3.00 -1.26 -4.36 118.95 120.95 2kcp s ARG 76 Ca 0.60 1.71 -0.32 0.00 -1.00 0.00 0.00 55.73 56.73 2kcp s ARG 76 Cb -0.12 -4.32 -0.11 0.00 0.00 0.00 0.00 34.95 30.40 2kcp s ARG 76 CO 0.34 -2.10 1.70 -1.25 0.00 0.00 0.00 175.30 173.99 2kcp s PRO 77 N 6.21 4.15 0.00 5.12 0.04 -1.26 -2.40 135.00 146.86 2kcp s PRO 77 Ca 0.91 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.49 2kcp s PRO 77 Cb -0.27 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2kcp s PRO 77 CO 0.34 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.05 2kcp n GLY 78 N 3.96 2.91 0.22 0.56 0.00 -0.38 -4.90 105.19 107.55 2kcp n GLY 78 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 2kcp n GLY 78 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2kcp h GLN 79 N 2.25 0.63 -0.48 1.61 4.15 -1.67 -1.92 115.11 119.67 2kcp h GLN 79 Ca 0.00 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.26 2kcp h GLN 79 Cb 0.00 -0.14 -0.07 0.00 0.21 0.00 0.00 27.48 27.48 2kcp h GLN 79 CO 0.00 0.42 0.09 -3.47 -1.93 0.00 0.00 178.83 173.94 2kcp n ASP 80 N -4.78 4.10 0.00 -0.69 2.03 -1.26 -4.91 116.55 111.03 2kcp n ASP 80 Ca 0.05 -3.24 0.00 0.00 0.52 0.00 0.00 54.79 52.12 2kcp n ASP 80 Cb 0.09 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.84 2kcp n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcp n GLY 81 N -0.43 0.35 3.17 0.27 0.00 -0.72 -5.00 105.19 102.82 2kcp n GLY 81 Ca 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.75 0.62 -0.03 1.61 0.11 -1.26 -2.68 120.40 117.01 2kcp s VAL 82 Ca 0.00 -1.93 0.06 0.00 -2.93 0.00 0.00 61.98 57.18 2kcp s VAL 82 Cb 0.00 -1.73 -0.02 0.00 -1.53 0.00 0.00 36.38 33.10 2kcp s VAL 82 CO 0.00 -0.83 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.12 2kcp s ILE 83 N -3.67 2.65 0.06 7.04 1.01 -1.26 -1.26 121.20 125.77 2kcp s ILE 83 Ca 0.13 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 59.94 2kcp s ILE 83 Cb 0.06 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 2kcp s ILE 83 CO -0.04 0.57 -0.17 0.20 0.00 0.00 0.00 174.94 175.50 2kcp s ASN 84 N -0.73 2.07 0.30 3.58 -0.87 -1.26 -0.15 114.94 117.87 2kcp s ASN 84 Ca 0.11 -0.54 -0.18 0.00 -1.57 0.00 0.00 52.86 50.68 2kcp s ASN 84 Cb -0.10 -0.14 0.07 0.00 -0.02 0.00 0.00 41.25 41.06 2kcp s ASN 84 CO 0.00 0.06 0.91 -0.83 -2.57 0.00 0.00 177.10 174.68 2kcp s GLY 85 N -1.36 0.29 -0.06 0.66 0.00 -0.53 -0.82 107.32 105.51 2kcp s GLY 85 Ca 0.04 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 44.18 2kcp s GLY 85 CO 0.02 1.14 -0.12 0.14 0.00 0.00 0.00 173.10 174.27 2kcp s VAL 86 N -2.10 3.23 -0.49 1.40 1.01 0.24 -0.18 120.40 123.51 2kcp s VAL 86 Ca 0.19 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.23 2kcp s VAL 86 Cb -0.04 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2kcp s VAL 86 CO 0.09 0.59 1.51 -0.22 0.00 0.00 0.00 175.10 177.07 2kcp s LEU 87 N -0.72 3.46 0.00 3.92 2.96 -0.05 -1.02 118.68 127.22 2kcp s LEU 87 Ca 0.11 0.60 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 2kcp s LEU 87 Cb -0.11 -3.22 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 2kcp s LEU 87 CO 0.01 -1.69 0.06 2.30 -1.32 0.00 0.00 176.35 175.71 2kcp n ILE 88 N 7.04 0.00 -3.21 6.68 -5.35 0.37 -4.30 119.36 120.60 2kcp n ILE 88 Ca 0.16 -2.24 -0.24 0.00 -0.27 0.00 0.00 62.75 60.16 2kcp n ILE 88 Cb 0.49 0.60 -0.07 0.00 -1.74 0.00 0.00 39.64 38.91 2kcp n ILE 88 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2kcp n ARG 89 N -1.05 0.69 0.09 6.28 5.12 -1.26 -3.74 116.66 122.79 2kcp n ARG 89 Ca -0.14 -3.23 -0.06 0.00 -1.93 0.00 0.00 57.85 52.49 2kcp n ARG 89 Cb 0.59 -1.25 0.03 0.00 -1.16 0.00 0.00 32.46 30.67 2kcp n ARG 89 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2kcp h GLU 90 N 4.12 0.13 -6.69 5.56 5.08 -2.00 -3.43 114.58 117.35 2kcp h GLU 90 Ca 0.09 -0.13 -0.49 0.00 -1.00 0.00 0.00 59.36 57.82 2kcp h GLU 90 Cb 0.88 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.18 2kcp h GLU 90 CO 0.46 0.86 -0.04 -0.51 -1.00 0.00 0.00 179.01 178.78 2kcp s LEU 91 N -7.43 3.87 0.82 1.33 1.43 -1.26 -5.09 118.68 112.35 2kcp s LEU 91 Ca -0.02 0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 53.72 2kcp s LEU 91 Cb 0.11 -3.63 0.09 0.00 0.03 0.00 0.00 46.19 42.78 2kcp s LEU 91 CO 0.81 -0.38 1.10 -0.70 0.23 0.00 0.00 176.35 177.41 2kcp s GLU 92 N -4.25 1.83 -0.29 1.70 2.12 -1.26 -4.86 118.70 113.70 2kcp s GLU 92 Ca 0.45 1.19 -0.29 0.00 0.36 0.00 0.00 54.97 56.67 2kcp s GLU 92 Cb -0.10 -1.85 -0.07 0.00 0.26 0.00 0.00 34.13 32.37 2kcp s GLU 92 CO 0.37 -1.95 2.25 0.72 -0.54 0.00 0.00 175.26 176.12 2kcp n HIS 93 N -3.73 1.81 -2.26 5.30 8.25 -1.26 -4.86 115.22 118.47 2kcp n HIS 93 Ca 0.09 -0.01 -0.43 0.00 -0.26 0.00 0.00 57.72 57.12 2kcp n HIS 93 Cb 0.53 -2.67 0.00 0.00 1.12 0.00 0.00 29.99 28.97 2kcp n HIS 93 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kcp n HIS 94 N 11.83 3.61 -3.70 4.41 -0.00 -1.26 -4.85 115.22 125.26 2kcp n HIS 94 Ca 0.34 -2.93 -0.13 0.00 0.46 0.00 0.00 57.72 55.45 2kcp n HIS 94 Cb 0.41 -2.25 -0.13 0.00 -0.12 0.00 0.00 29.99 27.90 2kcp n HIS 94 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kcp s HIS 95 N 1.87 -0.37 -1.25 1.57 3.76 -1.26 -5.06 115.29 114.54 2kcp s HIS 95 Ca 0.44 0.88 -0.12 0.00 -0.15 0.00 0.00 55.06 56.11 2kcp s HIS 95 Cb 0.09 0.00 -0.06 0.00 1.11 0.00 0.00 32.58 33.72 2kcp s HIS 95 CO -0.02 -0.29 2.38 1.58 -0.85 0.00 0.00 174.74 177.54 2kcp n HIS 96 N 4.79 2.34 0.00 1.40 -0.00 -1.26 -4.75 115.22 117.73 2kcp n HIS 96 Ca -0.16 -2.55 0.00 0.00 0.46 0.00 0.00 57.72 55.47 2kcp n HIS 96 Cb 0.51 -2.16 0.00 0.00 -0.12 0.00 0.00 29.99 28.22 2kcp n HIS 96 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kcp n HIS 97 N 5.08 0.00 -0.94 1.57 8.25 -1.26 -5.34 115.22 122.58 2kcp n HIS 97 Ca 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.04 2kcp n HIS 97 Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 2kcp n HIS 97 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56