#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1m n GLU 2 N 0.00 0.02 -2.20 0.54 0.00 -1.26 -4.89 120.64 112.85 2k1m n GLU 2 Ca 0.00 0.05 -0.42 0.00 0.00 0.00 0.00 57.16 56.79 2k1m n GLU 2 Cb 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 31.44 29.58 2k1m n GLU 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2k1m s PRO 3 N -3.17 4.33 0.45 3.44 0.04 -1.26 -4.92 135.00 133.91 2k1m s PRO 3 Ca 0.61 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.79 2k1m s PRO 3 Cb -0.28 -3.28 1.00 0.00 0.04 0.00 0.00 34.50 31.98 2k1m s PRO 3 CO 0.63 -0.42 2.08 0.78 0.04 0.00 0.00 177.00 180.10 2k1m h GLY 4 N 6.91 0.33 -5.97 0.56 0.00 -2.10 -3.40 103.07 99.39 2k1m h GLY 4 Ca -0.42 -0.13 -0.63 0.00 0.00 0.00 0.00 47.33 46.16 2k1m h GLY 4 CO 0.86 0.13 -0.59 0.54 0.00 0.00 0.00 176.54 177.48 2k1m s LYS 5 N -5.24 3.82 0.46 4.80 -0.14 -1.26 -5.11 119.74 117.07 2k1m s LYS 5 Ca -0.07 -0.38 -0.04 0.00 -1.36 0.00 0.00 55.97 54.13 2k1m s LYS 5 Cb 0.17 -3.12 -0.03 0.00 -1.68 0.00 0.00 37.83 33.17 2k1m s LYS 5 CO 0.71 0.32 0.74 0.15 -0.76 0.00 0.00 175.35 176.51 2k1m s LYS 6 N 0.21 3.45 0.04 1.68 1.02 -1.26 -5.04 119.74 119.84 2k1m s LYS 6 Ca 0.03 0.03 -0.31 0.00 0.02 0.00 0.00 55.97 55.74 2k1m s LYS 6 Cb -0.13 -2.44 -0.06 0.00 -0.52 0.00 0.00 37.83 34.68 2k1m s LYS 6 CO 0.01 -0.17 1.42 -1.25 -0.92 0.00 0.00 175.35 174.43 2k1m s PRO 7 N -4.66 4.29 -0.47 -1.68 0.04 -1.26 -4.90 135.00 126.36 2k1m s PRO 7 Ca 0.46 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.23 2k1m s PRO 7 Cb -0.10 -3.48 -0.10 0.00 0.04 0.00 0.00 34.50 30.86 2k1m s PRO 7 CO 0.43 -0.54 2.36 0.28 0.04 0.00 0.00 177.00 179.56 2k1m n VAL 8 N 4.44 0.09 -1.73 -0.36 0.31 -1.26 -4.88 118.33 114.94 2k1m n VAL 8 Ca 0.13 -0.47 -0.42 0.00 -0.01 0.00 0.00 64.34 63.57 2k1m n VAL 8 Cb 0.43 -2.10 -0.00 0.00 -0.91 0.00 0.00 33.84 31.26 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 12.60 3.25 -0.60 4.52 2.88 -1.26 -4.91 113.62 130.11 2k1m n SER 9 Ca 0.41 1.21 0.07 0.00 -1.33 0.00 0.00 58.87 59.23 2k1m n SER 9 Cb 0.36 -1.55 0.18 0.00 -0.75 0.00 0.00 64.21 62.46 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 0.48 2.55 -3.59 -1.46 0.00 -1.26 -4.66 120.51 112.56 2k1m n ALA 10 Ca 0.03 -1.90 -0.29 0.00 0.00 0.00 0.00 53.44 51.28 2k1m n ALA 10 Cb 0.37 -0.51 -0.12 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.14 1.51 0.37 0.00 0.40 -1.26 -1.38 117.98 115.47 2k1m s PHE 11 Ca 0.31 -2.19 0.12 0.00 -0.60 0.00 0.00 56.93 54.57 2k1m s PHE 11 Cb 0.23 -1.46 0.92 0.00 0.51 0.00 0.00 43.02 43.22 2k1m s PHE 11 CO 0.09 -0.79 1.83 0.77 0.70 0.00 0.00 175.22 177.82 2k1m h SER 12 N 6.59 0.58 -2.93 1.36 0.02 -1.30 -3.37 113.55 114.50 2k1m h SER 12 Ca 0.06 0.06 -0.45 0.00 -0.84 0.00 0.00 61.79 60.63 2k1m h SER 12 Cb 0.93 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.02 2k1m h SER 12 CO 0.40 0.24 -0.73 -0.75 -1.14 0.00 0.00 176.83 174.85 2k1m s LYS 13 N -5.62 0.10 0.23 3.45 2.20 -0.52 -4.96 119.74 114.62 2k1m s LYS 13 Ca -0.10 -0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.13 2k1m s LYS 13 Cb 0.23 -1.65 -0.09 0.00 -1.51 0.00 0.00 37.83 34.82 2k1m s LYS 13 CO 0.79 -0.71 1.15 0.21 -0.36 0.00 0.00 175.35 176.43 2k1m s LYS 14 N 2.17 4.55 -0.98 4.03 2.20 -1.26 -0.02 119.74 130.43 2k1m s LYS 14 Ca 0.04 1.84 -0.24 0.00 -0.36 0.00 0.00 55.97 57.25 2k1m s LYS 14 Cb -0.16 -3.22 -0.06 0.00 -1.51 0.00 0.00 37.83 32.89 2k1m s LYS 14 CO -0.13 0.04 1.94 -1.25 -0.36 0.00 0.00 175.35 175.60 2k1m s PRO 15 N -0.80 2.54 0.77 4.03 0.04 -1.23 -4.87 135.00 135.49 2k1m s PRO 15 Ca 0.49 -0.54 -0.15 0.00 0.04 0.00 0.00 61.00 60.84 2k1m s PRO 15 Cb -0.32 -5.11 -0.02 0.00 0.04 0.00 0.00 34.50 29.08 2k1m s PRO 15 CO 0.39 -3.55 0.54 0.54 0.04 0.00 0.00 177.00 174.96 2k1m n ARG 16 N 8.69 0.19 -1.89 4.56 1.74 -1.26 -4.65 116.66 124.04 2k1m n ARG 16 Ca 0.41 0.11 -0.34 0.00 -0.77 0.00 0.00 57.85 57.26 2k1m n ARG 16 Cb 0.47 -1.87 0.04 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.60 5.19 0.02 0.55 1.04 -1.26 -4.88 113.70 112.75 2k1m s SER 17 Ca 0.64 2.13 -0.03 0.00 0.48 0.00 0.00 55.95 59.17 2k1m s SER 17 Cb -0.32 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.22 2k1m s SER 17 CO 0.59 -1.58 0.04 0.54 0.98 0.00 0.00 173.24 173.81 2k1m s VAL 18 N -2.06 0.11 -0.10 5.02 0.11 -1.23 -5.04 120.40 117.21 2k1m s VAL 18 Ca 0.70 -0.93 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 2k1m s VAL 18 Cb -0.23 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 2k1m s VAL 18 CO 0.37 -0.51 -0.15 -1.83 -3.33 0.00 0.00 175.10 169.65 2k1m s GLU 19 N -1.77 3.09 -0.04 1.54 -1.05 -1.26 -2.32 118.70 116.90 2k1m s GLU 19 Ca -0.13 -0.71 -0.04 0.00 -0.15 0.00 0.00 54.97 53.95 2k1m s GLU 19 Cb -0.07 -2.52 0.01 0.00 -0.44 0.00 0.00 34.13 31.11 2k1m s GLU 19 CO -0.01 0.33 0.11 0.14 0.95 0.00 0.00 175.26 176.78 2k1m s VAL 20 N 0.03 0.01 0.51 1.83 -7.23 -0.89 -4.93 120.40 109.73 2k1m s VAL 20 Ca -0.05 -0.06 -0.21 0.00 -1.81 0.00 0.00 61.98 59.85 2k1m s VAL 20 Cb -0.14 -0.18 -0.06 0.00 0.56 0.00 0.00 36.38 36.55 2k1m s VAL 20 CO 0.04 -0.03 1.17 0.00 -0.31 0.00 0.00 175.10 175.97 2k1m s ALA 21 N -0.06 2.83 -0.26 1.32 0.00 -1.26 -1.35 121.76 122.97 2k1m s ALA 21 Ca -0.01 0.92 -0.38 0.00 0.00 0.00 0.00 51.96 52.49 2k1m s ALA 21 Cb -0.01 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.57 2k1m s ALA 21 CO 0.00 -0.78 1.87 0.00 0.00 0.00 0.00 175.76 176.85 2k1m n ALA 22 N -0.90 0.28 0.00 0.00 0.00 -0.96 -0.43 120.51 118.49 2k1m n ALA 22 Ca 0.10 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2k1m n ALA 22 Cb 0.49 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 4.78 3.01 3.74 0.00 0.00 -0.63 -4.98 105.19 111.12 2k1m n GLY 23 Ca 0.29 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 2k1m n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k1m s SER 24 N 0.18 4.93 0.27 1.61 0.15 0.43 -4.80 113.70 116.47 2k1m s SER 24 Ca 0.00 2.64 -0.29 0.00 0.70 0.00 0.00 55.95 59.00 2k1m s SER 24 Cb 0.00 -2.62 -0.10 0.00 -1.71 0.00 0.00 66.02 61.59 2k1m s SER 24 CO 0.00 -1.79 1.25 -2.16 1.20 0.00 0.00 173.24 171.74 2k1m s PRO 25 N -3.20 4.44 -0.04 5.44 0.04 -1.26 -4.63 135.00 135.80 2k1m s PRO 25 Ca 0.78 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.87 2k1m s PRO 25 Cb -0.38 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.05 2k1m s PRO 25 CO 0.42 -0.11 0.02 0.00 0.04 0.00 0.00 177.00 177.37 2k1m s ALA 26 N -0.72 0.32 0.02 8.56 0.00 -0.62 -4.97 121.76 124.36 2k1m s ALA 26 Ca 0.50 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.66 2k1m s ALA 26 Cb -0.37 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 2k1m s ALA 26 CO 0.45 -0.24 -0.16 0.54 0.00 0.00 0.00 175.76 176.34 2k1m s VAL 27 N 1.47 1.27 0.10 0.00 0.11 -1.26 -0.47 120.40 121.62 2k1m s VAL 27 Ca -0.04 -0.90 0.09 0.00 -2.93 0.00 0.00 61.98 58.20 2k1m s VAL 27 Cb -0.13 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.58 2k1m s VAL 27 CO -0.03 0.19 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.39 2k1m s PHE 28 N -0.64 2.54 -0.22 1.54 0.40 -0.42 -4.95 117.98 116.23 2k1m s PHE 28 Ca 0.05 -0.26 -0.00 0.00 -0.60 0.00 0.00 56.93 56.12 2k1m s PHE 28 Cb -0.07 -1.37 0.02 0.00 0.51 0.00 0.00 43.02 42.11 2k1m s PHE 28 CO 0.01 0.36 -0.12 -1.21 0.70 0.00 0.00 175.22 174.95 2k1m s GLU 29 N -2.00 2.87 -0.14 0.44 8.01 -1.26 -1.16 118.70 125.46 2k1m s GLU 29 Ca 0.17 -0.94 -0.00 0.00 0.01 0.00 0.00 54.97 54.22 2k1m s GLU 29 Cb -0.11 -2.80 0.03 0.00 -4.31 0.00 0.00 34.13 26.94 2k1m s GLU 29 CO 0.09 -0.33 -0.09 0.00 0.01 0.00 0.00 175.26 174.94 2k1m s ALA 30 N 1.29 1.55 -0.12 5.21 0.00 0.84 -3.51 121.76 127.01 2k1m s ALA 30 Ca 0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 2k1m s ALA 30 Cb -0.15 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2k1m s ALA 30 CO -0.08 -0.50 0.05 -2.00 0.00 0.00 0.00 175.76 173.23 2k1m s GLU 31 N 1.61 3.36 0.24 0.00 2.12 0.98 -0.02 118.70 126.99 2k1m s GLU 31 Ca 0.04 -0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.05 2k1m s GLU 31 Cb -0.13 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 2k1m s GLU 31 CO -0.09 0.61 0.42 0.95 -0.54 0.00 0.00 175.26 176.61 2k1m s THR 32 N -0.59 5.19 -1.03 -1.70 -4.23 0.83 -1.27 115.64 112.84 2k1m s THR 32 Ca 0.11 -0.50 0.27 0.00 -1.18 0.00 0.00 61.69 60.39 2k1m s THR 32 Cb -0.12 -3.78 0.11 0.00 1.34 0.00 0.00 72.50 70.05 2k1m s THR 32 CO 0.02 -0.29 1.63 1.21 -0.54 0.00 0.00 174.62 176.65 2k1m n GLU 33 N -1.04 0.03 -4.99 3.99 2.13 -0.48 -3.88 120.64 116.40 2k1m n GLU 33 Ca -0.05 -0.01 -0.28 0.00 0.66 0.00 0.00 57.16 57.47 2k1m n GLU 33 Cb 0.55 -1.50 -0.16 0.00 0.27 0.00 0.00 31.44 30.60 2k1m n GLU 33 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2k1m s ARG 34 N -2.98 2.13 0.57 5.31 3.52 -1.26 -4.93 118.95 121.30 2k1m s ARG 34 Ca 0.13 -0.71 -0.12 0.00 -0.13 0.00 0.00 55.73 54.90 2k1m s ARG 34 Cb 0.18 -1.80 -0.05 0.00 -1.56 0.00 0.00 34.95 31.72 2k1m s ARG 34 CO 0.63 0.26 0.98 0.00 -0.81 0.00 0.00 175.30 176.36 2k1m s ALA 35 N 0.05 3.14 -1.77 6.12 0.00 -1.26 -3.79 121.76 124.25 2k1m s ALA 35 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2k1m s ALA 35 Cb -0.13 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2k1m s ALA 35 CO 0.03 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2k1m n GLY 36 N -2.32 1.65 3.91 0.00 0.00 -1.25 -4.98 105.19 102.20 2k1m n GLY 36 Ca 0.05 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2k1m n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1m s VAL 37 N -2.59 5.09 -0.33 1.61 0.11 -1.25 -5.07 120.40 117.97 2k1m s VAL 37 Ca 0.00 -0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 58.93 2k1m s VAL 37 Cb 0.00 -3.70 -0.02 0.00 -1.53 0.00 0.00 36.38 31.14 2k1m s VAL 37 CO 0.00 -0.19 0.21 -0.54 -3.33 0.00 0.00 175.10 171.25 2k1m s LYS 38 N -3.24 3.48 -0.41 1.54 1.02 -1.26 -4.98 119.74 115.89 2k1m s LYS 38 Ca 0.42 -0.65 -0.16 0.00 0.02 0.00 0.00 55.97 55.61 2k1m s LYS 38 Cb -0.11 -3.72 0.02 0.00 -0.52 0.00 0.00 37.83 33.50 2k1m s LYS 38 CO 0.28 -0.42 0.35 0.08 -0.92 0.00 0.00 175.35 174.72 2k1m s VAL 39 N 1.69 5.19 0.13 3.17 1.01 -1.26 -3.98 120.40 126.36 2k1m s VAL 39 Ca 0.06 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 2k1m s VAL 39 Cb -0.17 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 2k1m s VAL 39 CO 0.09 -0.34 0.70 -0.60 0.00 0.00 0.00 175.10 174.95 2k1m s ARG 40 N 1.86 4.42 0.01 2.72 3.00 0.11 -4.90 118.95 126.16 2k1m s ARG 40 Ca 0.08 0.99 0.08 0.00 -1.00 0.00 0.00 55.73 55.88 2k1m s ARG 40 Cb -0.18 -3.24 -0.03 0.00 0.00 0.00 0.00 34.95 31.50 2k1m s ARG 40 CO 0.11 0.59 -0.24 -1.58 0.00 0.00 0.00 175.30 174.19 2k1m s TRP 41 N -1.15 2.41 -0.00 5.12 0.52 -1.26 -0.44 118.94 124.14 2k1m s TRP 41 Ca 0.33 -0.37 -0.05 0.00 0.02 0.00 0.00 56.10 56.04 2k1m s TRP 41 Cb -0.22 -1.47 -0.00 0.00 -1.15 0.00 0.00 33.47 30.63 2k1m s TRP 41 CO 0.23 0.09 0.08 -1.14 0.02 0.00 0.00 176.95 176.24 2k1m s GLN 42 N -0.99 0.36 -0.43 4.98 0.74 0.89 -0.04 119.66 125.17 2k1m s GLN 42 Ca 0.12 -0.35 0.02 0.00 0.05 0.00 0.00 55.36 55.20 2k1m s GLN 42 Cb -0.10 0.15 0.12 0.00 1.10 0.00 0.00 33.01 34.27 2k1m s GLN 42 CO 0.01 -0.08 0.18 0.50 -0.55 0.00 0.00 175.29 175.35 2k1m s ARG 43 N -1.11 1.82 -1.12 1.67 3.00 0.86 -1.32 118.95 122.74 2k1m s ARG 43 Ca -0.12 -2.17 0.00 0.00 -1.00 0.00 0.00 55.73 52.44 2k1m s ARG 43 Cb -0.07 -3.35 0.00 0.00 0.00 0.00 0.00 34.95 31.53 2k1m s ARG 43 CO 0.01 -1.04 0.00 0.41 0.00 0.00 0.00 175.30 174.68 2k1m n GLY 44 N 3.86 -0.16 0.00 8.12 0.00 -0.81 -0.39 105.19 115.82 2k1m n GLY 44 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.69 2.41 3.57 -0.02 0.00 -1.26 -5.05 105.19 104.15 2k1m n GLY 45 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2k1m n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1m s SER 46 N -1.72 6.51 -0.17 1.61 0.01 0.48 -4.97 113.70 115.46 2k1m s SER 46 Ca 0.00 0.18 -0.32 0.00 1.31 0.00 0.00 55.95 57.11 2k1m s SER 46 Cb 0.00 -2.50 -0.09 0.00 0.21 0.00 0.00 66.02 63.63 2k1m s SER 46 CO 0.00 -1.23 2.06 -0.90 0.41 0.00 0.00 173.24 173.58 2k1m n ASP 47 N 7.70 3.19 -4.86 2.44 5.68 -1.26 -0.10 116.55 129.34 2k1m n ASP 47 Ca 0.08 0.63 -0.34 0.00 -0.50 0.00 0.00 54.79 54.65 2k1m n ASP 47 Cb 0.49 -1.42 -0.06 0.00 -1.14 0.00 0.00 41.12 39.00 2k1m n ASP 47 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2k1m s ILE 48 N 6.02 4.96 -0.14 2.12 1.01 0.94 -4.91 121.20 131.21 2k1m s ILE 48 Ca 0.98 0.62 -0.29 0.00 0.00 0.00 0.00 60.65 61.96 2k1m s ILE 48 Cb -0.60 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 38.26 2k1m s ILE 48 CO 0.46 0.21 0.74 -0.44 0.00 0.00 0.00 174.94 175.91 2k1m s SER 49 N -1.84 -0.65 -0.62 3.58 0.01 -1.26 -4.21 113.70 108.71 2k1m s SER 49 Ca 0.37 0.91 -0.29 0.00 1.31 0.00 0.00 55.95 58.25 2k1m s SER 49 Cb -0.14 0.81 -0.13 0.00 0.21 0.00 0.00 66.02 66.77 2k1m s SER 49 CO 0.19 -0.46 2.46 0.00 0.41 0.00 0.00 173.24 175.85 2k1m n ALA 50 N 1.48 0.70 -3.65 1.44 0.00 -1.26 -4.64 120.51 114.58 2k1m n ALA 50 Ca -0.16 -0.56 0.07 0.00 0.00 0.00 0.00 53.44 52.78 2k1m n ALA 50 Cb 0.56 -2.79 0.01 0.00 0.00 0.00 0.00 19.45 17.24 2k1m n ALA 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k1m n SER 51 N 13.05 -1.20 -4.57 0.00 2.88 -1.26 -4.92 113.62 117.60 2k1m n SER 51 Ca 0.47 -1.60 -0.42 0.00 -1.33 0.00 0.00 58.87 55.99 2k1m n SER 51 Cb 0.32 1.95 0.01 0.00 -0.75 0.00 0.00 64.21 65.74 2k1m n SER 51 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2k1m n ASN 52 N -1.06 0.70 0.00 -3.46 2.85 -1.26 -0.65 115.26 112.37 2k1m n ASN 52 Ca -0.01 1.01 0.00 0.00 -0.11 0.00 0.00 54.58 55.47 2k1m n ASN 52 Cb 0.42 -1.28 0.00 0.00 1.24 0.00 0.00 39.78 40.15 2k1m n ASN 52 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2k1m n LYS 53 N 0.28 -0.28 -3.99 1.20 4.81 -1.26 -4.92 118.16 114.01 2k1m n LYS 53 Ca 0.10 0.07 -0.13 0.00 -0.87 0.00 0.00 58.31 57.48 2k1m n LYS 53 Cb 0.38 -3.46 -0.01 0.00 0.02 0.00 0.00 35.03 31.96 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 -2.40 0.78 -0.28 5.64 2.02 0.17 -4.25 117.35 119.04 2k1m s TYR 54 Ca 0.00 -1.17 -0.20 0.00 -0.37 0.00 0.00 57.07 55.33 2k1m s TYR 54 Cb 0.00 0.24 0.11 0.00 -0.40 0.00 0.00 41.96 41.91 2k1m s TYR 54 CO 0.00 -1.33 0.86 0.20 -1.57 0.00 0.00 175.55 173.71 2k1m s GLY 55 N -3.20 -0.32 -0.11 0.71 0.00 0.03 -4.12 107.32 100.30 2k1m s GLY 55 Ca 0.26 2.62 -0.03 0.00 0.00 0.00 0.00 44.72 47.57 2k1m s GLY 55 CO 0.18 2.20 0.05 1.08 0.00 0.00 0.00 173.10 176.62 2k1m s LEU 56 N 0.99 0.51 -0.37 0.66 1.43 -1.26 -0.07 118.68 120.56 2k1m s LEU 56 Ca -0.05 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 2k1m s LEU 56 Cb -0.05 -0.33 0.08 0.00 0.03 0.00 0.00 46.19 45.93 2k1m s LEU 56 CO -0.11 -0.27 0.15 0.00 0.23 0.00 0.00 176.35 176.34 2k1m s ALA 57 N 2.05 3.07 -0.18 4.21 0.00 0.60 -4.85 121.76 126.67 2k1m s ALA 57 Ca 0.03 -2.21 -0.07 0.00 0.00 0.00 0.00 51.96 49.72 2k1m s ALA 57 Cb -0.14 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 2k1m s ALA 57 CO -0.06 -1.60 0.05 -0.08 0.00 0.00 0.00 175.76 174.07 2k1m s THR 58 N 1.23 4.68 -0.32 0.00 -1.32 -1.26 -1.62 115.64 117.04 2k1m s THR 58 Ca 0.03 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 2k1m s THR 58 Cb -0.22 -3.10 0.14 0.00 -1.51 0.00 0.00 72.50 67.81 2k1m s THR 58 CO -0.02 0.47 0.29 -1.83 -2.21 0.00 0.00 174.62 171.32 2k1m s GLU 59 N 0.32 0.41 4.59 7.08 1.03 -0.45 -5.03 118.70 126.65 2k1m s GLU 59 Ca 0.02 -0.50 0.00 0.00 0.03 0.00 0.00 54.97 54.52 2k1m s GLU 59 Cb -0.12 -0.80 0.00 0.00 -0.80 0.00 0.00 34.13 32.40 2k1m s GLU 59 CO 0.00 -1.09 0.00 0.41 -1.33 0.00 0.00 175.26 173.25 2k1m n GLY 60 N 4.90 1.77 0.13 -3.83 0.00 -1.26 -2.71 105.19 104.18 2k1m n GLY 60 Ca 0.02 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.07 2k1m n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k1m n THR 61 N 0.00 1.57 -4.74 2.61 -2.24 -1.26 -3.77 114.28 106.44 2k1m n THR 61 Ca 0.00 -1.74 -0.33 0.00 -2.27 0.00 0.00 64.05 59.71 2k1m n THR 61 Cb 0.00 0.05 -0.16 0.00 -2.10 0.00 0.00 70.33 68.12 2k1m n THR 61 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2k1m s ARG 62 N -2.14 3.10 -0.14 -0.78 0.52 -1.10 -0.12 118.95 118.29 2k1m s ARG 62 Ca 0.21 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.61 2k1m s ARG 62 Cb 0.18 -2.47 0.02 0.00 0.52 0.00 0.00 34.95 33.19 2k1m s ARG 62 CO 0.03 0.04 -0.18 -1.01 0.02 0.00 0.00 175.30 174.20 2k1m s HIS 63 N 0.70 2.37 -0.12 -0.53 3.76 0.98 -1.34 115.29 121.11 2k1m s HIS 63 Ca -0.09 -1.26 0.03 0.00 -0.15 0.00 0.00 55.06 53.59 2k1m s HIS 63 Cb -0.16 -1.67 0.00 0.00 1.11 0.00 0.00 32.58 31.86 2k1m s HIS 63 CO 0.01 -0.63 -0.21 0.99 -0.85 0.00 0.00 174.74 174.05 2k1m s THR 64 N 1.13 2.24 -0.40 1.30 2.01 -0.64 -0.12 115.64 121.16 2k1m s THR 64 Ca -0.02 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 60.97 2k1m s THR 64 Cb -0.14 -1.88 0.08 0.00 0.01 0.00 0.00 72.50 70.56 2k1m s THR 64 CO -0.06 0.55 0.22 -0.22 -0.69 0.00 0.00 174.62 174.41 2k1m s LEU 65 N 0.50 5.02 -0.40 4.42 2.96 -0.31 -0.29 118.68 130.57 2k1m s LEU 65 Ca -0.14 -1.57 -0.17 0.00 -0.22 0.00 0.00 54.13 52.03 2k1m s LEU 65 Cb -0.17 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.61 2k1m s LEU 65 CO 0.05 -0.50 0.41 -0.89 -1.32 0.00 0.00 176.35 174.10 2k1m s THR 66 N 1.35 5.12 -0.19 3.68 2.01 0.90 -1.30 115.64 127.21 2k1m s THR 66 Ca 0.03 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.73 2k1m s THR 66 Cb -0.23 -3.99 0.03 0.00 0.01 0.00 0.00 72.50 68.33 2k1m s THR 66 CO 0.00 -0.35 -0.15 0.54 -0.69 0.00 0.00 174.62 173.98 2k1m s VAL 67 N 2.06 1.88 -0.30 3.82 0.11 0.38 -0.79 120.40 127.56 2k1m s VAL 67 Ca 0.11 -1.01 0.22 0.00 -2.93 0.00 0.00 61.98 58.37 2k1m s VAL 67 Cb -0.17 -1.82 -0.16 0.00 -1.53 0.00 0.00 36.38 32.69 2k1m s VAL 67 CO 0.13 0.34 0.83 0.54 -3.33 0.00 0.00 175.10 173.61 2k1m n ARG 68 N 4.63 0.51 0.00 1.54 3.00 -1.26 -1.59 116.66 123.49 2k1m n ARG 68 Ca -0.18 -0.04 0.08 0.00 -0.01 0.00 0.00 57.85 57.71 2k1m n ARG 68 Cb 0.48 -1.64 0.39 0.00 0.00 0.00 0.00 32.46 31.69 2k1m n ARG 68 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2k1m n GLU 69 N -2.27 0.11 -1.59 5.56 2.13 -1.26 -4.57 120.64 118.76 2k1m n GLU 69 Ca -0.01 0.18 -0.51 0.00 0.66 0.00 0.00 57.16 57.48 2k1m n GLU 69 Cb 0.51 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.67 2k1m n GLU 69 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2k1m n VAL 70 N -1.40 0.31 -2.30 6.31 3.14 -1.26 -4.82 118.33 118.32 2k1m n VAL 70 Ca 0.06 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 2k1m n VAL 70 Cb 0.17 -0.82 0.00 0.00 -1.06 0.00 0.00 33.84 32.12 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 2.34 4.35 0.20 7.55 0.00 -1.26 -1.60 105.19 116.77 2k1m n GLY 71 Ca 0.17 -1.06 0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.93 -2.39 132.00 129.41 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 -0.63 0.00 -0.23 0.00 0.00 178.00 177.14 2k1m n ALA 73 N -1.92 3.51 1.47 -0.56 0.00 -1.26 -3.73 120.51 118.01 2k1m n ALA 73 Ca 0.01 -0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.22 2k1m n ALA 73 Cb 0.26 -1.09 0.49 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.66 1.28 -3.22 0.00 9.92 -0.90 -4.53 116.55 117.44 2k1m n ASP 74 Ca 0.05 -1.55 -0.32 0.00 -0.53 0.00 0.00 54.79 52.44 2k1m n ASP 74 Cb 0.37 -0.05 -0.03 0.00 -0.64 0.00 0.00 41.12 40.77 2k1m n ASP 74 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2k1m n GLN 75 N 0.04 3.07 0.00 -1.24 0.00 -1.24 -4.67 117.38 113.33 2k1m n GLN 75 Ca 0.18 -1.89 0.00 0.00 -0.00 0.00 0.00 57.00 55.28 2k1m n GLN 75 Cb 0.29 -2.65 0.00 0.00 0.00 0.00 0.00 30.24 27.88 2k1m n GLN 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k1m n GLY 76 N 3.61 2.55 2.93 1.69 0.00 -1.26 -5.01 105.19 109.71 2k1m n GLY 76 Ca 0.65 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 46.28 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 1.00 1.85 -0.10 1.61 1.04 -1.26 -3.99 113.70 113.84 2k1m s SER 77 Ca 0.00 -0.26 -0.17 0.00 0.48 0.00 0.00 55.95 56.00 2k1m s SER 77 Cb 0.00 -0.75 -0.05 0.00 0.10 0.00 0.00 66.02 65.32 2k1m s SER 77 CO 0.00 -0.07 0.42 -0.31 0.98 0.00 0.00 173.24 174.26 2k1m s TYR 78 N 1.30 3.54 -0.02 5.02 1.51 0.94 -1.92 117.35 127.72 2k1m s TYR 78 Ca -0.03 0.84 0.08 0.00 -1.01 0.00 0.00 57.07 56.95 2k1m s TYR 78 Cb -0.14 -2.45 -0.02 0.00 -0.11 0.00 0.00 41.96 39.24 2k1m s TYR 78 CO -0.03 0.28 -0.25 0.00 -1.11 0.00 0.00 175.55 174.43 2k1m s ALA 79 N 0.26 2.19 -0.14 3.71 0.00 -0.43 -0.04 121.76 127.30 2k1m s ALA 79 Ca 0.23 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 2k1m s ALA 79 Cb -0.15 -0.58 0.07 0.00 0.00 0.00 0.00 23.12 22.46 2k1m s ALA 79 CO 0.09 0.53 0.30 0.54 0.00 0.00 0.00 175.76 177.22 2k1m s VAL 80 N -0.59 -0.45 0.09 0.00 0.11 0.30 -0.08 120.40 119.77 2k1m s VAL 80 Ca 0.09 0.25 0.04 0.00 -2.93 0.00 0.00 61.98 59.43 2k1m s VAL 80 Cb -0.10 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2k1m s VAL 80 CO -0.01 0.10 0.04 -0.63 -3.33 0.00 0.00 175.10 171.28 2k1m s ILE 81 N 2.40 4.29 -0.23 7.04 1.01 0.42 -1.50 121.20 134.64 2k1m s ILE 81 Ca 0.00 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 59.61 2k1m s ILE 81 Cb -0.12 -3.06 0.07 0.00 0.01 0.00 0.00 42.46 39.36 2k1m s ILE 81 CO -0.09 0.12 0.58 0.00 0.00 0.00 0.00 174.94 175.54 2k1m s ALA 82 N -1.36 -1.50 0.00 9.38 0.00 -0.29 0.06 121.76 128.05 2k1m s ALA 82 Ca 0.28 1.88 0.00 0.00 0.00 0.00 0.00 51.96 54.12 2k1m s ALA 82 Cb -0.12 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.89 2k1m s ALA 82 CO 0.20 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2k1m n GLY 83 N 3.65 3.47 1.06 0.00 0.00 -1.26 -0.73 105.19 111.38 2k1m n GLY 83 Ca -0.18 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.11 2k1m n GLY 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k1m n SER 84 N 5.85 4.17 -4.15 1.61 3.41 -1.26 -4.97 113.62 118.28 2k1m n SER 84 Ca 0.00 -2.94 -0.20 0.00 -0.26 0.00 0.00 58.87 55.48 2k1m n SER 84 Cb 0.00 -0.55 -0.13 0.00 -0.26 0.00 0.00 64.21 63.27 2k1m n SER 84 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2k1m s SER 85 N -1.67 1.67 -0.05 4.04 0.15 0.09 -4.96 113.70 112.97 2k1m s SER 85 Ca 0.43 -0.50 0.04 0.00 0.70 0.00 0.00 55.95 56.62 2k1m s SER 85 Cb 0.34 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2k1m s SER 85 CO 0.11 0.01 -0.15 -0.54 1.20 0.00 0.00 173.24 173.86 2k1m s LYS 86 N -1.29 1.69 0.01 5.44 1.02 -1.26 -1.14 119.74 124.20 2k1m s LYS 86 Ca 0.01 -0.54 -0.02 0.00 0.02 0.00 0.00 55.97 55.44 2k1m s LYS 86 Cb -0.08 -1.45 -0.01 0.00 -0.52 0.00 0.00 37.83 35.76 2k1m s LYS 86 CO 0.02 0.19 0.02 0.54 -0.92 0.00 0.00 175.35 175.19 2k1m s VAL 87 N 0.17 0.08 -0.01 3.17 0.11 -0.56 -5.02 120.40 118.34 2k1m s VAL 87 Ca -0.06 -0.63 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 2k1m s VAL 87 Cb -0.12 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.48 2k1m s VAL 87 CO 0.02 -0.35 -0.07 -1.59 -3.33 0.00 0.00 175.10 169.78 2k1m s LYS 88 N -1.07 0.57 0.25 1.54 -2.85 -1.26 -0.54 119.74 116.38 2k1m s LYS 88 Ca -0.12 -0.25 0.11 0.00 -1.00 0.00 0.00 55.97 54.72 2k1m s LYS 88 Cb -0.07 -0.55 -0.05 0.00 -2.06 0.00 0.00 37.83 35.10 2k1m s LYS 88 CO -0.00 0.15 -0.20 -0.59 0.10 0.00 0.00 175.35 174.80 2k1m s PHE 89 N -0.17 2.24 -0.11 1.78 -0.71 0.94 -4.96 117.98 117.00 2k1m s PHE 89 Ca 0.03 -0.36 -0.11 0.00 -1.04 0.00 0.00 56.93 55.45 2k1m s PHE 89 Cb -0.03 -1.01 -0.05 0.00 -1.21 0.00 0.00 43.02 40.73 2k1m s PHE 89 CO -0.00 0.63 0.25 0.34 -1.34 0.00 0.00 175.22 175.09 2k1m s ASP 90 N -3.27 6.49 -0.37 1.98 2.15 -1.26 -0.04 116.67 122.35 2k1m s ASP 90 Ca 0.27 0.59 -0.04 0.00 0.43 0.00 0.00 52.55 53.80 2k1m s ASP 90 Cb -0.05 -2.15 0.08 0.00 -0.30 0.00 0.00 42.92 40.50 2k1m s ASP 90 CO 0.13 0.29 0.14 -0.22 -0.17 0.00 0.00 175.17 175.34 2k1m s LEU 91 N -0.56 4.75 0.34 -1.34 1.98 -1.26 -3.53 118.68 119.07 2k1m s LEU 91 Ca 0.17 -1.65 -0.16 0.00 -2.89 0.00 0.00 54.13 49.59 2k1m s LEU 91 Cb -0.13 -1.82 -0.09 0.00 0.66 0.00 0.00 46.19 44.80 2k1m s LEU 91 CO 0.06 -0.44 0.78 -0.54 -1.89 0.00 0.00 176.35 174.32 2k1m s LYS 92 N 1.23 4.05 -0.04 1.98 1.02 -0.98 -4.03 119.74 122.98 2k1m s LYS 92 Ca 0.03 0.76 0.07 0.00 0.02 0.00 0.00 55.97 56.85 2k1m s LYS 92 Cb -0.22 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 2k1m s LYS 92 CO -0.02 0.12 -0.24 0.08 -0.92 0.00 0.00 175.35 174.37 2k1m s VAL 93 N -2.02 2.17 -0.01 3.17 1.01 -1.26 -2.09 120.40 121.37 2k1m s VAL 93 Ca 0.56 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2k1m s VAL 93 Cb -0.10 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2k1m s VAL 93 CO 0.16 0.58 0.21 -0.63 0.00 0.00 0.00 175.10 175.42 2k1m s ILE 94 N -0.45 5.40 0.00 2.22 1.01 -0.46 -4.88 121.20 124.03 2k1m s ILE 94 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.66 2k1m s ILE 94 Cb -0.11 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.82 2k1m s ILE 94 CO 0.01 0.35 0.34 1.21 0.00 0.00 0.00 174.94 176.85