#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1m s GLU 2 N 0.00 2.64 1.23 0.54 8.01 -1.26 -5.05 118.70 124.81 2k1m s GLU 2 Ca 0.00 0.98 -0.20 0.00 0.01 0.00 0.00 54.97 55.76 2k1m s GLU 2 Cb 0.00 -1.95 0.30 0.00 -4.31 0.00 0.00 34.13 28.17 2k1m s GLU 2 CO 0.00 -1.32 1.11 -1.25 0.01 0.00 0.00 175.26 173.81 2k1m s PRO 3 N -5.01 -1.47 -0.15 0.39 0.04 -1.26 -5.02 135.00 122.52 2k1m s PRO 3 Ca 0.59 -0.15 -0.25 0.00 0.04 0.00 0.00 61.00 61.23 2k1m s PRO 3 Cb -0.15 -1.58 -0.22 0.00 0.04 0.00 0.00 34.50 32.59 2k1m s PRO 3 CO 0.55 -3.86 0.58 0.78 0.04 0.00 0.00 177.00 175.10 2k1m h GLY 4 N -2.68 0.00 -3.58 0.56 0.00 -2.10 -3.47 103.07 91.80 2k1m h GLY 4 Ca -0.43 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.28 2k1m h GLY 4 CO 0.30 0.00 -0.70 0.54 0.00 0.00 0.00 176.54 176.69 2k1m s LYS 5 N -2.21 2.22 0.18 4.80 3.01 -1.26 -5.14 119.74 121.35 2k1m s LYS 5 Ca -0.20 -1.17 0.02 0.00 -1.01 0.00 0.00 55.97 53.61 2k1m s LYS 5 Cb -0.01 -2.26 -0.04 0.00 -1.01 0.00 0.00 37.83 34.51 2k1m s LYS 5 CO 0.61 0.45 0.33 -1.59 0.51 0.00 0.00 175.35 175.66 2k1m s LYS 6 N -2.82 3.46 0.53 1.68 -2.85 -1.26 -5.09 119.74 113.39 2k1m s LYS 6 Ca 0.26 -0.55 -0.20 0.00 -1.00 0.00 0.00 55.97 54.47 2k1m s LYS 6 Cb -0.09 -2.92 -0.06 0.00 -2.06 0.00 0.00 37.83 32.70 2k1m s LYS 6 CO 0.17 0.47 1.13 -1.25 0.10 0.00 0.00 175.35 175.97 2k1m s PRO 7 N -3.39 3.41 -0.41 1.78 0.04 -1.26 -4.89 135.00 130.28 2k1m s PRO 7 Ca 0.35 1.63 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 2k1m s PRO 7 Cb -0.11 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 2k1m s PRO 7 CO 0.29 -0.81 2.34 0.28 0.04 0.00 0.00 177.00 179.14 2k1m n VAL 8 N -1.19 0.11 -4.18 -0.36 0.31 -1.26 -4.93 118.33 106.83 2k1m n VAL 8 Ca 0.11 -0.55 -0.26 0.00 -0.01 0.00 0.00 64.34 63.63 2k1m n VAL 8 Cb 0.51 -2.40 -0.02 0.00 -0.91 0.00 0.00 33.84 31.02 2k1m n VAL 8 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2k1m n SER 9 N 13.20 2.86 -0.48 4.52 2.88 -1.26 -5.05 113.62 130.29 2k1m n SER 9 Ca 0.37 -2.83 0.07 0.00 -1.33 0.00 0.00 58.87 55.15 2k1m n SER 9 Cb 0.43 0.11 0.17 0.00 -0.75 0.00 0.00 64.21 64.16 2k1m n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k1m n ALA 10 N -1.80 2.49 -3.57 -1.46 0.00 -1.26 -4.67 120.51 110.25 2k1m n ALA 10 Ca -0.17 -2.01 -0.29 0.00 0.00 0.00 0.00 53.44 50.97 2k1m n ALA 10 Cb 0.57 -0.47 -0.12 0.00 0.00 0.00 0.00 19.45 19.44 2k1m n ALA 10 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2k1m s PHE 11 N -2.25 1.35 0.25 0.00 0.40 -1.26 -1.37 117.98 115.09 2k1m s PHE 11 Ca 0.30 -2.08 -0.04 0.00 -0.60 0.00 0.00 56.93 54.52 2k1m s PHE 11 Cb 0.24 -1.36 0.46 0.00 0.51 0.00 0.00 43.02 42.87 2k1m s PHE 11 CO 0.07 -0.80 1.74 1.03 0.70 0.00 0.00 175.22 177.96 2k1m h SER 12 N 6.69 0.37 -3.28 1.36 0.87 -1.21 -3.37 113.55 114.99 2k1m h SER 12 Ca 0.06 0.10 -0.53 0.00 -1.23 0.00 0.00 61.79 60.18 2k1m h SER 12 Cb 0.94 0.05 -0.40 0.00 -0.44 0.00 0.00 62.40 62.55 2k1m h SER 12 CO 0.38 0.16 -0.77 -0.75 -0.53 0.00 0.00 176.83 175.32 2k1m s LYS 13 N -6.01 0.73 0.25 2.24 2.20 -0.53 -4.96 119.74 113.66 2k1m s LYS 13 Ca -0.12 -0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 54.65 2k1m s LYS 13 Cb 0.21 -2.12 -0.09 0.00 -1.51 0.00 0.00 37.83 34.32 2k1m s LYS 13 CO 0.77 -0.69 1.23 0.21 -0.36 0.00 0.00 175.35 176.51 2k1m s LYS 14 N 1.80 4.47 -1.01 4.03 2.20 -1.26 -0.06 119.74 129.91 2k1m s LYS 14 Ca 0.00 1.99 -0.24 0.00 -0.36 0.00 0.00 55.97 57.36 2k1m s LYS 14 Cb -0.17 -3.17 -0.06 0.00 -1.51 0.00 0.00 37.83 32.91 2k1m s LYS 14 CO -0.10 -0.08 1.94 -1.25 -0.36 0.00 0.00 175.35 175.50 2k1m s PRO 15 N -0.90 2.53 0.96 4.03 0.04 -1.24 -4.88 135.00 135.54 2k1m s PRO 15 Ca 0.51 -0.62 -0.13 0.00 0.04 0.00 0.00 61.00 60.80 2k1m s PRO 15 Cb -0.35 -5.13 0.03 0.00 0.04 0.00 0.00 34.50 29.09 2k1m s PRO 15 CO 0.42 -3.60 0.34 0.54 0.04 0.00 0.00 177.00 174.74 2k1m n ARG 16 N 8.64 -0.32 -1.09 4.56 1.74 -1.26 -4.63 116.66 124.30 2k1m n ARG 16 Ca 0.42 -0.05 -0.31 0.00 -0.77 0.00 0.00 57.85 57.13 2k1m n ARG 16 Cb 0.47 -1.82 0.11 0.00 -1.02 0.00 0.00 32.46 30.21 2k1m n ARG 16 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2k1m s SER 17 N -1.97 4.03 0.00 0.55 1.04 -1.26 -4.89 113.70 111.20 2k1m s SER 17 Ca 0.56 1.93 -0.06 0.00 0.48 0.00 0.00 55.95 58.86 2k1m s SER 17 Cb -0.21 -2.53 -0.00 0.00 0.10 0.00 0.00 66.02 63.38 2k1m s SER 17 CO 0.68 -2.36 0.11 -0.69 0.98 0.00 0.00 173.24 171.96 2k1m s VAL 18 N -2.83 0.08 -0.14 5.02 1.01 -1.20 -5.02 120.40 117.32 2k1m s VAL 18 Ca 0.63 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2k1m s VAL 18 Cb -0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 2k1m s VAL 18 CO 0.57 -0.38 -0.14 -1.83 0.00 0.00 0.00 175.10 173.31 2k1m s GLU 19 N -1.31 3.28 -0.02 2.72 -1.05 -1.26 -1.67 118.70 119.39 2k1m s GLU 19 Ca -0.14 -0.73 -0.01 0.00 -0.15 0.00 0.00 54.97 53.94 2k1m s GLU 19 Cb -0.08 -2.62 0.01 0.00 -0.44 0.00 0.00 34.13 31.00 2k1m s GLU 19 CO 0.01 0.11 0.04 0.14 0.95 0.00 0.00 175.26 176.51 2k1m s VAL 20 N 0.60 -0.01 0.79 1.83 -7.23 -0.91 -4.92 120.40 110.55 2k1m s VAL 20 Ca -0.08 0.04 -0.11 0.00 -1.81 0.00 0.00 61.98 60.02 2k1m s VAL 20 Cb -0.16 -0.07 0.07 0.00 0.56 0.00 0.00 36.38 36.78 2k1m s VAL 20 CO 0.03 0.02 1.09 0.00 -0.31 0.00 0.00 175.10 175.93 2k1m s ALA 21 N 0.22 2.16 -0.30 1.32 0.00 -1.26 -1.29 121.76 122.60 2k1m s ALA 21 Ca -0.02 0.23 -0.38 0.00 0.00 0.00 0.00 51.96 51.79 2k1m s ALA 21 Cb -0.03 -3.26 -0.14 0.00 0.00 0.00 0.00 23.12 19.69 2k1m s ALA 21 CO -0.01 -1.86 1.96 0.00 0.00 0.00 0.00 175.76 175.86 2k1m n ALA 22 N -3.58 0.44 0.00 0.00 0.00 -0.93 -0.11 120.51 116.34 2k1m n ALA 22 Ca 0.09 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2k1m n ALA 22 Cb 0.53 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.62 2k1m n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1m n GLY 23 N 5.37 2.76 3.62 0.00 0.00 -0.64 -5.01 105.19 111.29 2k1m n GLY 23 Ca 0.34 -0.46 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 2k1m n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k1m n SER 24 N 0.86 1.77 -4.72 1.61 7.64 0.85 -4.69 113.62 116.93 2k1m n SER 24 Ca 0.00 1.17 -0.42 0.00 1.01 0.00 0.00 58.87 60.63 2k1m n SER 24 Cb 0.00 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 61.84 2k1m n SER 24 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2k1m s PRO 25 N -1.21 4.35 -0.10 1.43 0.04 -1.26 -4.68 135.00 133.57 2k1m s PRO 25 Ca 0.62 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.72 2k1m s PRO 25 Cb -0.70 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 30.61 2k1m s PRO 25 CO 0.57 -0.36 -0.14 0.00 0.04 0.00 0.00 177.00 177.11 2k1m s ALA 26 N 0.80 1.61 -0.02 8.56 0.00 -0.62 -4.97 121.76 127.12 2k1m s ALA 26 Ca 0.62 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.97 2k1m s ALA 26 Cb -0.36 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 2k1m s ALA 26 CO 0.32 -0.07 -0.24 0.54 0.00 0.00 0.00 175.76 176.31 2k1m s VAL 27 N 0.98 2.18 -0.17 0.00 0.11 -1.26 -1.26 120.40 120.99 2k1m s VAL 27 Ca -0.07 -1.06 0.01 0.00 -2.93 0.00 0.00 61.98 57.93 2k1m s VAL 27 Cb -0.15 -1.76 0.01 0.00 -1.53 0.00 0.00 36.38 32.95 2k1m s VAL 27 CO -0.01 0.58 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.80 2k1m s PHE 28 N -0.62 2.77 -0.31 1.54 0.40 -0.46 -4.94 117.98 116.35 2k1m s PHE 28 Ca 0.10 -1.32 -0.15 0.00 -0.60 0.00 0.00 56.93 54.96 2k1m s PHE 28 Cb -0.10 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 2k1m s PHE 28 CO -0.01 -0.63 0.34 -1.21 0.70 0.00 0.00 175.22 174.41 2k1m s GLU 29 N 1.04 3.74 -0.15 0.44 2.02 -1.26 -1.31 118.70 123.21 2k1m s GLU 29 Ca -0.01 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.70 2k1m s GLU 29 Cb -0.14 -3.74 0.03 0.00 0.10 0.00 0.00 34.13 30.37 2k1m s GLU 29 CO -0.05 -0.41 -0.12 0.00 0.02 0.00 0.00 175.26 174.70 2k1m s ALA 30 N 2.00 1.77 -0.15 5.21 0.00 0.64 -3.69 121.76 127.53 2k1m s ALA 30 Ca 0.12 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.12 2k1m s ALA 30 Cb -0.16 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 2k1m s ALA 30 CO 0.11 -0.48 0.10 -2.00 0.00 0.00 0.00 175.76 173.49 2k1m s GLU 31 N 1.52 3.74 0.25 0.00 2.12 0.92 -0.05 118.70 127.19 2k1m s GLU 31 Ca 0.04 -0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.15 2k1m s GLU 31 Cb -0.13 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 2k1m s GLU 31 CO -0.10 0.51 0.40 0.95 -0.54 0.00 0.00 175.26 176.49 2k1m s THR 32 N -0.27 5.22 -1.54 -1.70 -4.23 -0.41 -1.04 115.64 111.67 2k1m s THR 32 Ca 0.10 -0.68 0.28 0.00 -1.18 0.00 0.00 61.69 60.21 2k1m s THR 32 Cb -0.12 -3.82 0.35 0.00 1.34 0.00 0.00 72.50 70.25 2k1m s THR 32 CO 0.01 -0.32 1.75 1.21 -0.54 0.00 0.00 174.62 176.73 2k1m n GLU 33 N -1.23 0.58 -4.45 3.99 2.13 -0.47 -3.94 120.64 117.26 2k1m n GLU 33 Ca -0.07 -0.24 -0.20 0.00 0.66 0.00 0.00 57.16 57.32 2k1m n GLU 33 Cb 0.56 -1.50 -0.15 0.00 0.27 0.00 0.00 31.44 30.63 2k1m n GLU 33 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2k1m s ARG 34 N -2.58 0.87 -0.10 5.31 1.81 -1.26 -4.96 118.95 118.04 2k1m s ARG 34 Ca 0.25 -0.43 -0.15 0.00 -1.72 0.00 0.00 55.73 53.67 2k1m s ARG 34 Cb 0.19 -0.84 -0.05 0.00 -0.45 0.00 0.00 34.95 33.80 2k1m s ARG 34 CO 0.51 0.23 0.38 0.00 -0.68 0.00 0.00 175.30 175.74 2k1m s ALA 35 N -0.34 3.60 0.00 2.13 0.00 -1.26 -4.12 121.76 121.76 2k1m s ALA 35 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2k1m s ALA 35 Cb -0.05 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.62 2k1m s ALA 35 CO -0.00 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.37 2k1m n GLY 36 N 2.83 2.74 3.74 0.00 0.00 -1.26 -5.07 105.19 108.18 2k1m n GLY 36 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2k1m n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k1m s VAL 37 N -2.53 2.93 -0.53 1.61 -7.23 -1.26 -4.96 120.40 108.44 2k1m s VAL 37 Ca 0.00 0.79 -0.26 0.00 -1.81 0.00 0.00 61.98 60.69 2k1m s VAL 37 Cb 0.00 -3.50 0.03 0.00 0.56 0.00 0.00 36.38 33.47 2k1m s VAL 37 CO 0.00 0.13 1.04 -0.54 -0.31 0.00 0.00 175.10 175.41 2k1m s LYS 38 N -0.36 3.48 -0.59 4.82 1.02 -1.26 -4.88 119.74 121.98 2k1m s LYS 38 Ca 0.57 0.10 -0.27 0.00 0.02 0.00 0.00 55.97 56.39 2k1m s LYS 38 Cb -0.39 -3.99 0.03 0.00 -0.52 0.00 0.00 37.83 32.96 2k1m s LYS 38 CO 0.41 -1.47 1.15 0.08 -0.92 0.00 0.00 175.35 174.61 2k1m s VAL 39 N 4.27 4.06 0.25 3.17 1.01 -1.26 -3.93 120.40 127.98 2k1m s VAL 39 Ca 0.38 0.75 -0.20 0.00 0.00 0.00 0.00 61.98 62.91 2k1m s VAL 39 Cb -0.10 -4.71 -0.09 0.00 0.00 0.00 0.00 36.38 31.49 2k1m s VAL 39 CO 0.24 -1.34 0.75 0.00 0.00 0.00 0.00 175.10 174.76 2k1m s ARG 40 N 4.83 4.24 0.01 2.72 1.04 0.10 -4.94 118.95 126.96 2k1m s ARG 40 Ca 0.40 0.89 0.08 0.00 -1.04 0.00 0.00 55.73 56.06 2k1m s ARG 40 Cb -0.08 -2.78 -0.02 0.00 -2.04 0.00 0.00 34.95 30.02 2k1m s ARG 40 CO 0.23 0.34 -0.25 -1.58 -0.04 0.00 0.00 175.30 174.00 2k1m s TRP 41 N -1.62 2.35 -0.01 5.89 0.52 -1.26 -1.30 118.94 123.51 2k1m s TRP 41 Ca 0.46 -0.41 -0.07 0.00 0.02 0.00 0.00 56.10 56.10 2k1m s TRP 41 Cb -0.16 -1.45 0.00 0.00 -1.15 0.00 0.00 33.47 30.71 2k1m s TRP 41 CO 0.20 0.06 0.15 -1.14 0.02 0.00 0.00 176.95 176.24 2k1m s GLN 42 N -0.93 0.43 -0.46 4.98 0.74 0.11 -0.05 119.66 124.48 2k1m s GLN 42 Ca 0.11 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.25 2k1m s GLN 42 Cb -0.10 0.18 0.12 0.00 1.10 0.00 0.00 33.01 34.31 2k1m s GLN 42 CO 0.01 -0.10 0.23 0.50 -0.55 0.00 0.00 175.29 175.38 2k1m s ARG 43 N -1.09 1.99 3.03 1.67 3.00 0.87 -0.80 118.95 127.63 2k1m s ARG 43 Ca -0.12 -2.15 0.00 0.00 -1.00 0.00 0.00 55.73 52.46 2k1m s ARG 43 Cb -0.06 -3.47 0.00 0.00 0.00 0.00 0.00 34.95 31.41 2k1m s ARG 43 CO 0.01 -1.07 0.00 0.41 0.00 0.00 0.00 175.30 174.65 2k1m n GLY 44 N 3.97 0.40 0.04 8.12 0.00 -1.25 -1.43 105.19 115.03 2k1m n GLY 44 Ca 0.03 0.62 -0.01 0.00 0.00 0.00 0.00 46.02 46.65 2k1m n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1m n GLY 45 N 0.00 -0.63 3.68 -0.02 0.00 -1.26 -4.95 105.19 102.01 2k1m n GLY 45 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 2k1m n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k1m s SER 46 N -4.19 6.61 0.52 1.61 0.15 -0.52 -5.05 113.70 112.82 2k1m s SER 46 Ca -0.06 0.73 -0.21 0.00 0.70 0.00 0.00 55.95 57.11 2k1m s SER 46 Cb 0.06 -2.30 -0.06 0.00 -1.71 0.00 0.00 66.02 62.01 2k1m s SER 46 CO 0.54 -0.13 1.16 -0.62 1.20 0.00 0.00 173.24 175.39 2k1m s ASP 47 N 1.00 5.81 -0.02 5.45 -1.08 -1.26 -0.09 116.67 126.48 2k1m s ASP 47 Ca 0.25 2.28 0.03 0.00 -0.52 0.00 0.00 52.55 54.59 2k1m s ASP 47 Cb -0.15 -2.59 -0.03 0.00 -1.46 0.00 0.00 42.92 38.68 2k1m s ASP 47 CO 0.10 -1.16 -0.09 -0.63 0.52 0.00 0.00 175.17 173.91 2k1m s ILE 48 N -1.64 3.50 0.24 4.11 1.01 0.93 -4.73 121.20 124.62 2k1m s ILE 48 Ca 0.70 -0.71 -0.22 0.00 0.00 0.00 0.00 60.65 60.41 2k1m s ILE 48 Cb -0.27 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 39.77 2k1m s ILE 48 CO 0.32 0.48 0.75 -0.44 0.00 0.00 0.00 174.94 176.05 2k1m s SER 49 N -1.12 -0.29 -0.79 3.58 0.01 -1.26 -4.00 113.70 109.83 2k1m s SER 49 Ca 0.15 -0.48 -0.26 0.00 1.31 0.00 0.00 55.95 56.67 2k1m s SER 49 Cb -0.11 0.67 -0.09 0.00 0.21 0.00 0.00 66.02 66.69 2k1m s SER 49 CO 0.04 -1.21 2.22 0.00 0.41 0.00 0.00 173.24 174.70 2k1m s ALA 50 N -3.78 1.20 0.24 1.44 0.00 -1.26 -4.68 121.76 114.92 2k1m s ALA 50 Ca 0.10 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 50.96 2k1m s ALA 50 Cb -0.04 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.55 2k1m s ALA 50 CO 0.03 -5.29 0.52 -1.54 0.00 0.00 0.00 175.76 169.48 2k1m s SER 51 N 9.88 -0.14 0.46 0.00 1.04 -1.25 -4.97 113.70 118.72 2k1m s SER 51 Ca 0.84 -0.80 -0.22 0.00 0.48 0.00 0.00 55.95 56.25 2k1m s SER 51 Cb -0.11 0.60 -0.11 0.00 0.10 0.00 0.00 66.02 66.50 2k1m s SER 51 CO 0.08 -1.15 0.63 0.59 0.98 0.00 0.00 173.24 174.37 2k1m n ASN 52 N -0.38 -0.51 0.00 7.02 4.13 -1.26 -0.78 115.26 123.49 2k1m n ASN 52 Ca -0.04 0.89 0.00 0.00 1.68 0.00 0.00 54.58 57.12 2k1m n ASN 52 Cb 0.62 -1.17 0.00 0.00 -1.54 0.00 0.00 39.78 37.68 2k1m n ASN 52 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2k1m n LYS 53 N 0.34 -0.46 -3.73 3.52 4.81 -1.26 -4.95 118.16 116.44 2k1m n LYS 53 Ca 0.11 0.11 -0.12 0.00 -0.87 0.00 0.00 58.31 57.54 2k1m n LYS 53 Cb 0.41 -3.59 -0.07 0.00 0.02 0.00 0.00 35.03 31.80 2k1m n LYS 53 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2k1m s TYR 54 N -2.11 -0.17 -0.13 5.64 2.02 0.04 -4.28 117.35 118.36 2k1m s TYR 54 Ca 0.00 0.10 -0.01 0.00 -0.37 0.00 0.00 57.07 56.79 2k1m s TYR 54 Cb 0.00 0.14 0.04 0.00 -0.40 0.00 0.00 41.96 41.73 2k1m s TYR 54 CO 0.00 -0.51 -0.01 0.20 -1.57 0.00 0.00 175.55 173.66 2k1m s GLY 55 N -1.93 0.67 -0.34 0.71 0.00 0.12 -3.93 107.32 102.62 2k1m s GLY 55 Ca -0.06 -0.46 -0.06 0.00 0.00 0.00 0.00 44.72 44.14 2k1m s GLY 55 CO -0.02 1.14 0.10 1.08 0.00 0.00 0.00 173.10 175.39 2k1m s LEU 56 N 1.85 4.31 0.05 0.66 2.01 -1.26 -0.21 118.68 126.08 2k1m s LEU 56 Ca 0.03 -1.19 0.05 0.00 0.01 0.00 0.00 54.13 53.03 2k1m s LEU 56 Cb -0.14 -1.85 -0.04 0.00 0.01 0.00 0.00 46.19 44.17 2k1m s LEU 56 CO -0.07 -0.33 -0.08 0.00 1.01 0.00 0.00 176.35 176.88 2k1m s ALA 57 N 1.38 2.98 -0.15 4.21 0.00 0.87 -4.86 121.76 126.18 2k1m s ALA 57 Ca -0.02 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 50.75 2k1m s ALA 57 Cb -0.20 -1.01 0.07 0.00 0.00 0.00 0.00 23.12 21.98 2k1m s ALA 57 CO 0.02 0.63 0.32 -0.08 0.00 0.00 0.00 175.76 176.65 2k1m s THR 58 N -1.10 -0.33 -0.65 0.00 -1.32 -1.26 -0.41 115.64 110.57 2k1m s THR 58 Ca 0.19 0.20 0.05 0.00 -1.21 0.00 0.00 61.69 60.93 2k1m s THR 58 Cb -0.11 -0.51 0.20 0.00 -1.51 0.00 0.00 72.50 70.57 2k1m s THR 58 CO 0.11 0.08 0.58 1.21 -2.21 0.00 0.00 174.62 174.39 2k1m n GLU 59 N 4.96 1.96 0.00 7.08 2.13 -0.12 -4.99 120.64 131.66 2k1m n GLU 59 Ca -0.13 -4.44 0.00 0.00 0.66 0.00 0.00 57.16 53.25 2k1m n GLU 59 Cb 0.51 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 30.02 2k1m n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k1m n GLY 60 N 1.56 1.82 0.06 8.31 0.00 -1.26 -2.92 105.19 112.76 2k1m n GLY 60 Ca 0.24 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.21 2k1m n GLY 60 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k1m n THR 61 N 0.00 0.71 -3.32 2.61 -1.04 -1.26 -4.42 114.28 107.56 2k1m n THR 61 Ca 0.00 -0.67 -0.41 0.00 -2.04 0.00 0.00 64.05 60.92 2k1m n THR 61 Cb 0.00 -0.27 -0.09 0.00 -1.82 0.00 0.00 70.33 68.16 2k1m n THR 61 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k1m s ARG 62 N -3.02 3.48 0.01 -2.82 1.70 -1.15 -1.29 118.95 115.86 2k1m s ARG 62 Ca -0.08 -0.39 -0.01 0.00 -0.47 0.00 0.00 55.73 54.77 2k1m s ARG 62 Cb 0.10 -3.84 -0.04 0.00 -0.57 0.00 0.00 34.95 30.60 2k1m s ARG 62 CO 0.87 -0.65 0.17 -1.01 -1.08 0.00 0.00 175.30 173.60 2k1m s HIS 63 N 2.20 3.49 -0.11 5.89 3.76 0.92 -0.95 115.29 130.49 2k1m s HIS 63 Ca 0.15 0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 55.34 2k1m s HIS 63 Cb -0.16 -1.79 0.03 0.00 1.11 0.00 0.00 32.58 31.77 2k1m s HIS 63 CO 0.13 0.62 -0.02 0.99 -0.85 0.00 0.00 174.74 175.60 2k1m s THR 64 N -1.36 0.66 -0.45 1.30 2.01 0.46 -0.26 115.64 118.01 2k1m s THR 64 Ca 0.29 -0.19 -0.15 0.00 0.31 0.00 0.00 61.69 61.94 2k1m s THR 64 Cb -0.13 -0.84 0.05 0.00 0.01 0.00 0.00 72.50 71.59 2k1m s THR 64 CO 0.20 0.19 0.35 -0.22 -0.69 0.00 0.00 174.62 174.46 2k1m s LEU 65 N 1.84 5.41 -0.26 4.42 2.96 -0.43 -0.09 118.68 132.53 2k1m s LEU 65 Ca 0.03 -1.17 -0.10 0.00 -0.22 0.00 0.00 54.13 52.68 2k1m s LEU 65 Cb -0.14 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 2k1m s LEU 65 CO -0.07 -0.57 0.15 -0.89 -1.32 0.00 0.00 176.35 173.66 2k1m s THR 66 N 1.65 5.11 -0.07 3.68 2.01 0.70 -1.36 115.64 127.36 2k1m s THR 66 Ca 0.04 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.13 2k1m s THR 66 Cb -0.22 -3.41 0.03 0.00 0.01 0.00 0.00 72.50 68.91 2k1m s THR 66 CO 0.08 0.30 -0.02 0.68 -0.69 0.00 0.00 174.62 174.97 2k1m s VAL 67 N 1.51 0.46 -0.12 3.82 -7.23 -0.39 0.12 120.40 118.57 2k1m s VAL 67 Ca 0.07 0.03 0.20 0.00 -1.81 0.00 0.00 61.98 60.47 2k1m s VAL 67 Cb -0.15 -0.57 -0.22 0.00 0.56 0.00 0.00 36.38 35.99 2k1m s VAL 67 CO 0.08 0.26 0.56 0.54 -0.31 0.00 0.00 175.10 176.23 2k1m n ARG 68 N 4.84 0.65 0.19 4.82 1.74 -1.26 -1.59 116.66 126.05 2k1m n ARG 68 Ca -0.12 -0.01 0.13 0.00 -0.77 0.00 0.00 57.85 57.07 2k1m n ARG 68 Cb 0.50 -1.63 0.66 0.00 -1.02 0.00 0.00 32.46 30.97 2k1m n ARG 68 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2k1m h GLU 69 N 0.00 0.00 -6.24 5.56 4.57 -1.84 -3.41 114.58 113.22 2k1m h GLU 69 Ca -0.15 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.35 2k1m h GLU 69 Cb 1.39 0.00 0.07 0.00 -0.16 0.00 0.00 28.75 30.05 2k1m h GLU 69 CO 0.02 0.00 0.18 1.55 -1.18 0.00 0.00 179.01 179.58 2k1m n VAL 70 N -2.39 0.75 -2.46 0.32 3.14 -1.26 -4.77 118.33 111.67 2k1m n VAL 70 Ca -0.01 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 2k1m n VAL 70 Cb 0.08 -0.63 0.00 0.00 -1.06 0.00 0.00 33.84 32.23 2k1m n VAL 70 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k1m n GLY 71 N 1.99 2.61 0.14 7.55 0.00 -1.26 -1.62 105.19 114.60 2k1m n GLY 71 Ca 0.16 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.43 2k1m n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1m h PRO 72 N 0.00 0.00 0.00 1.61 0.13 -1.92 -2.31 132.00 129.51 2k1m h PRO 72 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k1m h PRO 72 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k1m h PRO 72 CO 0.00 0.00 -0.61 0.00 -0.23 0.00 0.00 178.00 177.16 2k1m n ALA 73 N -1.80 3.41 0.47 -0.56 0.00 -1.26 -3.74 120.51 117.03 2k1m n ALA 73 Ca 0.02 -0.34 0.09 0.00 0.00 0.00 0.00 53.44 53.21 2k1m n ALA 73 Cb 0.23 -1.11 0.11 0.00 0.00 0.00 0.00 19.45 18.69 2k1m n ALA 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k1m n ASP 74 N -1.70 2.69 -4.56 0.00 9.92 -0.88 -4.89 116.55 117.12 2k1m n ASP 74 Ca 0.04 -1.79 -0.20 0.00 -0.53 0.00 0.00 54.79 52.31 2k1m n ASP 74 Cb 0.37 -0.09 -0.06 0.00 -0.64 0.00 0.00 41.12 40.70 2k1m n ASP 74 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2k1m s GLN 75 N -1.33 2.06 0.00 -1.24 -0.44 -1.16 -4.56 119.66 112.99 2k1m s GLN 75 Ca 0.24 0.02 0.00 0.00 -2.50 0.00 0.00 55.36 53.12 2k1m s GLN 75 Cb 0.15 -4.94 0.00 0.00 -1.64 0.00 0.00 33.01 26.58 2k1m s GLN 75 CO 0.22 -3.98 0.00 0.41 0.50 0.00 0.00 175.29 172.44 2k1m n GLY 76 N 6.77 2.16 3.35 2.59 0.00 -1.25 -5.05 105.19 113.75 2k1m n GLY 76 Ca 0.43 0.06 -0.18 0.00 0.00 0.00 0.00 46.02 46.33 2k1m n GLY 76 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1m s SER 77 N 1.67 1.95 -0.04 1.61 1.04 -1.26 -3.84 113.70 114.83 2k1m s SER 77 Ca 0.00 -1.23 0.01 0.00 0.48 0.00 0.00 55.95 55.21 2k1m s SER 77 Cb 0.00 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.12 2k1m s SER 77 CO 0.00 -0.51 -0.05 -0.31 0.98 0.00 0.00 173.24 173.35 2k1m s TYR 78 N -3.38 0.71 -0.05 5.02 1.51 0.10 -3.87 117.35 117.40 2k1m s TYR 78 Ca 0.29 -0.18 0.05 0.00 -1.01 0.00 0.00 57.07 56.23 2k1m s TYR 78 Cb 0.06 -0.61 -0.02 0.00 -0.11 0.00 0.00 41.96 41.28 2k1m s TYR 78 CO 0.10 -0.15 -0.21 0.00 -1.11 0.00 0.00 175.55 174.18 2k1m s ALA 79 N 0.70 2.37 -0.14 3.71 0.00 0.02 -0.06 121.76 128.36 2k1m s ALA 79 Ca -0.09 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 50.77 2k1m s ALA 79 Cb -0.12 -0.77 0.06 0.00 0.00 0.00 0.00 23.12 22.29 2k1m s ALA 79 CO 0.00 0.49 0.30 0.54 0.00 0.00 0.00 175.76 177.10 2k1m s VAL 80 N -0.48 -0.32 0.03 0.00 0.11 0.29 0.06 120.40 120.09 2k1m s VAL 80 Ca 0.06 0.21 0.06 0.00 -2.93 0.00 0.00 61.98 59.38 2k1m s VAL 80 Cb -0.11 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 2k1m s VAL 80 CO 0.01 0.09 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.07 2k1m s ILE 81 N 2.05 2.92 -0.25 7.04 1.01 -0.42 -1.41 121.20 132.14 2k1m s ILE 81 Ca -0.03 -1.08 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 2k1m s ILE 81 Cb -0.11 -2.23 0.08 0.00 0.01 0.00 0.00 42.46 40.21 2k1m s ILE 81 CO -0.10 0.37 0.08 0.00 0.00 0.00 0.00 174.94 175.29 2k1m s ALA 82 N -0.91 1.11 0.00 9.38 0.00 -0.49 0.03 121.76 130.88 2k1m s ALA 82 Ca 0.15 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2k1m s ALA 82 Cb -0.11 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.64 2k1m s ALA 82 CO 0.05 -1.44 0.00 0.41 0.00 0.00 0.00 175.76 174.78 2k1m n GLY 83 N 5.02 1.34 0.34 0.00 0.00 -1.25 -2.80 105.19 107.84 2k1m n GLY 83 Ca -0.06 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2k1m n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k1m n SER 84 N 3.64 2.18 -4.76 1.61 7.64 -1.26 -5.05 113.62 117.62 2k1m n SER 84 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 2k1m n SER 84 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2k1m n SER 84 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k1m s SER 85 N -4.09 6.75 -0.15 6.43 0.15 -1.12 -5.02 113.70 116.65 2k1m s SER 85 Ca 0.00 2.65 0.01 0.00 0.70 0.00 0.00 55.95 59.31 2k1m s SER 85 Cb 0.00 -2.64 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 2k1m s SER 85 CO 0.00 -0.59 -0.16 -0.54 1.20 0.00 0.00 173.24 173.15 2k1m s LYS 86 N -1.14 2.47 0.07 5.44 1.02 -1.26 -1.40 119.74 124.93 2k1m s LYS 86 Ca 0.53 -0.63 0.06 0.00 0.02 0.00 0.00 55.97 55.95 2k1m s LYS 86 Cb -0.40 -2.19 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 2k1m s LYS 86 CO 0.48 -0.20 -0.15 0.54 -0.92 0.00 0.00 175.35 175.10 2k1m s VAL 87 N 1.34 1.22 -0.02 3.17 0.11 -0.50 -5.01 120.40 120.70 2k1m s VAL 87 Ca 0.03 -1.25 0.02 0.00 -2.93 0.00 0.00 61.98 57.85 2k1m s VAL 87 Cb -0.13 -1.13 0.00 0.00 -1.53 0.00 0.00 36.38 33.59 2k1m s VAL 87 CO -0.09 -0.12 -0.08 -0.54 -3.33 0.00 0.00 175.10 170.93 2k1m s LYS 88 N -1.58 0.84 0.31 1.54 3.01 -1.26 -0.54 119.74 122.05 2k1m s LYS 88 Ca 0.00 -0.27 0.11 0.00 -1.01 0.00 0.00 55.97 54.80 2k1m s LYS 88 Cb -0.09 -0.80 -0.06 0.00 -1.01 0.00 0.00 37.83 35.87 2k1m s LYS 88 CO 0.02 0.10 -0.12 -0.59 0.51 0.00 0.00 175.35 175.27 2k1m s PHE 89 N 0.17 2.39 0.08 3.18 -0.71 0.92 -4.95 117.98 119.06 2k1m s PHE 89 Ca -0.02 -0.40 -0.04 0.00 -1.04 0.00 0.00 56.93 55.43 2k1m s PHE 89 Cb -0.08 -1.21 -0.05 0.00 -1.21 0.00 0.00 43.02 40.48 2k1m s PHE 89 CO 0.00 0.64 0.30 0.34 -1.34 0.00 0.00 175.22 175.15 2k1m s ASP 90 N -3.58 6.46 -0.29 1.98 -1.08 -1.26 0.03 116.67 118.92 2k1m s ASP 90 Ca 0.32 0.49 0.02 0.00 -0.52 0.00 0.00 52.55 52.85 2k1m s ASP 90 Cb -0.02 -2.05 0.08 0.00 -1.46 0.00 0.00 42.92 39.47 2k1m s ASP 90 CO 0.16 0.15 0.01 -0.22 0.52 0.00 0.00 175.17 175.80 2k1m s LEU 91 N -2.34 3.33 0.34 -1.34 1.98 -1.25 -3.22 118.68 116.18 2k1m s LEU 91 Ca 0.35 -1.65 -0.16 0.00 -2.89 0.00 0.00 54.13 49.78 2k1m s LEU 91 Cb -0.13 -1.29 -0.09 0.00 0.66 0.00 0.00 46.19 45.34 2k1m s LEU 91 CO 0.23 -0.33 0.77 -0.54 -1.89 0.00 0.00 176.35 174.60 2k1m s LYS 92 N 1.25 4.04 -0.03 1.98 3.01 -0.67 -3.90 119.74 125.42 2k1m s LYS 92 Ca 0.04 0.75 0.07 0.00 -1.01 0.00 0.00 55.97 55.81 2k1m s LYS 92 Cb -0.19 -2.39 -0.02 0.00 -1.01 0.00 0.00 37.83 34.23 2k1m s LYS 92 CO -0.11 0.13 -0.24 0.08 0.51 0.00 0.00 175.35 175.71 2k1m s VAL 93 N -2.01 1.96 0.08 3.17 1.01 -1.26 -2.15 120.40 121.20 2k1m s VAL 93 Ca 0.55 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2k1m s VAL 93 Cb -0.10 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2k1m s VAL 93 CO 0.17 0.55 0.22 -0.63 0.00 0.00 0.00 175.10 175.41 2k1m s ILE 94 N -0.41 5.34 0.00 2.22 1.01 -0.41 -4.88 121.20 124.07 2k1m s ILE 94 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.22 2k1m s ILE 94 Cb -0.11 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2k1m s ILE 94 CO 0.01 0.08 0.40 -0.62 0.00 0.00 0.00 174.94 174.81