#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 3.49 -0.78 0.54 8.01 -1.26 -4.97 118.70 123.74 2k1m s GLU 2 Ca 0.00 0.46 -0.25 0.00 0.01 0.00 0.00 54.97 55.19 2k1m s GLU 2 Cb 0.00 -2.21 -0.04 0.00 -4.31 0.00 0.00 34.13 27.58 2k1m s GLU 2 CO 0.00 -0.46 1.91 -1.25 0.01 0.00 0.00 175.26 175.47 2k1m s PRO 3 N -5.00 2.59 -0.19 0.39 0.04 -1.26 -4.79 135.00 126.77 2k1m s PRO 3 Ca 0.52 0.10 -0.21 0.00 0.04 0.00 0.00 61.00 61.46 2k1m s PRO 3 Cb -0.11 -4.77 -0.18 0.00 0.04 0.00 0.00 34.50 29.49 2k1m s PRO 3 CO 0.50 -3.10 0.25 0.78 0.04 0.00 0.00 177.00 175.47 2k1m h GLY 4 N 17.24 0.00 -6.68 0.56 0.00 -2.09 -3.45 103.07 108.65 2k1m h GLY 4 Ca -0.06 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.66 2k1m h GLY 4 CO 1.21 0.00 1.40 0.28 0.00 0.00 0.00 176.54 179.43 2k1m n LYS 5 N -4.50 1.80 -1.06 4.80 5.02 -1.26 -4.92 118.16 118.04 2k1m n LYS 5 Ca -0.24 0.54 -0.33 0.00 -2.02 0.00 0.00 58.31 56.25 2k1m n LYS 5 Cb 0.57 -2.91 0.13 0.00 -0.02 0.00 0.00 35.03 32.80 2k1m n LYS 5 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2k1m n LYS 6 N 8.21 0.11 -2.26 1.97 0.00 -1.26 -4.95 118.16 119.97 2k1m n LYS 6 Ca 0.31 0.11 -0.38 0.00 -0.00 0.00 0.00 58.31 58.36 2k1m n LYS 6 Cb 0.36 -2.36 -0.01 0.00 -0.00 0.00 0.00 35.03 33.02 2k1m n LYS 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2k1m s PRO 7 N -4.03 3.93 -0.44 -1.58 0.04 -1.26 -4.89 135.00 126.77 2k1m s PRO 7 Ca 0.71 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 63.30 2k1m s PRO 7 Cb -0.29 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 31.59 2k1m s PRO 7 CO 0.53 -0.43 2.35 0.28 0.04 0.00 0.00 177.00 179.76 2k1m n VAL 8 N -0.15 0.10 -1.99 -0.36 0.31 -1.26 -4.93 118.33 110.05 2k1m n VAL 8 Ca 0.05 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.60 2k1m n VAL 8 Cb 0.47 -2.23 0.08 0.00 -0.91 0.00 0.00 33.84 31.24 2k1m n VAL 8 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2k1m s SER 9 N 9.74 4.69 -0.13 4.52 0.15 -1.26 -5.00 113.70 126.41 2k1m s SER 9 Ca 1.06 0.73 0.16 0.00 0.70 0.00 0.00 55.95 58.59 2k1m s SER 9 Cb -0.49 -1.30 0.39 0.00 -1.71 0.00 0.00 66.02 62.92 2k1m s SER 9 CO 0.36 -1.76 1.29 0.00 1.20 0.00 0.00 173.24 174.33 2k1m n ALA 10 N -3.17 2.61 -3.55 5.45 0.00 -1.26 -4.68 120.51 115.91 2k1m n ALA 10 Ca 0.08 -2.19 -0.29 0.00 0.00 0.00 0.00 53.44 51.04 2k1m n ALA 10 Cb 0.60 -0.53 -0.12 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.52 1.37 0.27 0.00 0.40 -1.26 -1.37 117.98 114.88 2k1m s PHE 11 Ca 0.34 -2.15 0.01 0.00 -0.60 0.00 0.00 56.93 54.53 2k1m s PHE 11 Cb 0.27 -1.32 0.60 0.00 0.51 0.00 0.00 43.02 43.08 2k1m s PHE 11 CO 0.07 -0.80 1.75 1.03 0.70 0.00 0.00 175.22 177.98 2k1m h SER 12 N 6.49 0.54 -3.27 1.36 0.87 -1.24 -3.37 113.55 114.93 2k1m h SER 12 Ca 0.09 0.10 -0.53 0.00 -1.23 0.00 0.00 61.79 60.22 2k1m h SER 12 Cb 0.93 0.02 -0.40 0.00 -0.44 0.00 0.00 62.40 62.51 2k1m h SER 12 CO 0.38 0.19 -0.77 -0.75 -0.53 0.00 0.00 176.83 175.36 2k1m s LYS 13 N -5.94 0.73 0.22 2.24 2.20 -0.54 -4.96 119.74 113.70 2k1m s LYS 13 Ca -0.12 -0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 54.64 2k1m s LYS 13 Cb 0.23 -2.11 -0.09 0.00 -1.51 0.00 0.00 37.83 34.35 2k1m s LYS 13 CO 0.78 -0.69 1.15 0.21 -0.36 0.00 0.00 175.35 176.44 2k1m s LYS 14 N 1.80 4.55 -0.75 4.03 2.20 -1.26 -0.11 119.74 130.20 2k1m s LYS 14 Ca 0.00 1.84 -0.26 0.00 -0.36 0.00 0.00 55.97 57.20 2k1m s LYS 14 Cb -0.17 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 2k1m s LYS 14 CO -0.11 0.03 1.90 -1.25 -0.36 0.00 0.00 175.35 175.57 2k1m s PRO 15 N -0.71 2.59 0.71 4.03 0.04 -1.24 -4.89 135.00 135.53 2k1m s PRO 15 Ca 0.49 0.18 -0.16 0.00 0.04 0.00 0.00 61.00 61.56 2k1m s PRO 15 Cb -0.32 -4.71 0.02 0.00 0.04 0.00 0.00 34.50 29.53 2k1m s PRO 15 CO 0.38 -3.05 1.21 0.50 0.04 0.00 0.00 177.00 176.09 2k1m s ARG 16 N 7.03 2.29 0.60 4.56 3.52 -1.26 -4.63 118.95 131.06 2k1m s ARG 16 Ca 0.69 1.79 -0.17 0.00 -0.13 0.00 0.00 55.73 57.90 2k1m s ARG 16 Cb -0.10 -1.85 -0.03 0.00 -1.56 0.00 0.00 34.95 31.41 2k1m s ARG 16 CO 0.10 -1.73 1.12 -1.54 -0.81 0.00 0.00 175.30 172.44 2k1m s SER 17 N -1.93 5.44 0.02 -2.12 1.04 -1.26 -4.89 113.70 109.99 2k1m s SER 17 Ca 0.75 2.09 -0.06 0.00 0.48 0.00 0.00 55.95 59.20 2k1m s SER 17 Cb -0.30 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.25 2k1m s SER 17 CO 0.43 -1.41 0.12 0.54 0.98 0.00 0.00 173.24 173.91 2k1m s VAL 18 N -2.05 0.10 -0.11 5.02 0.11 -1.24 -5.01 120.40 117.22 2k1m s VAL 18 Ca 0.70 -0.85 -0.02 0.00 -2.93 0.00 0.00 61.98 58.88 2k1m s VAL 18 Cb -0.22 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 2k1m s VAL 18 CO 0.34 -0.47 -0.05 -1.83 -3.33 0.00 0.00 175.10 169.76 2k1m s GLU 19 N -1.89 3.21 -0.00 1.54 -1.05 -1.26 -1.62 118.70 117.62 2k1m s GLU 19 Ca -0.11 -0.52 0.00 0.00 -0.15 0.00 0.00 54.97 54.20 2k1m s GLU 19 Cb -0.05 -2.76 0.00 0.00 -0.44 0.00 0.00 34.13 30.88 2k1m s GLU 19 CO -0.01 0.47 -0.01 0.14 0.95 0.00 0.00 175.26 176.81 2k1m s VAL 20 N -0.28 0.07 0.71 1.83 -7.23 -0.85 -4.82 120.40 109.85 2k1m s VAL 20 Ca 0.04 -0.01 -0.14 0.00 -1.81 0.00 0.00 61.98 60.06 2k1m s VAL 20 Cb -0.13 -0.09 0.03 0.00 0.56 0.00 0.00 36.38 36.75 2k1m s VAL 20 CO 0.02 0.04 1.15 0.00 -0.31 0.00 0.00 175.10 176.00 2k1m s ALA 21 N 0.14 2.25 -0.29 1.32 0.00 -1.26 -1.29 121.76 122.63 2k1m s ALA 21 Ca -0.01 0.65 -0.39 0.00 0.00 0.00 0.00 51.96 52.21 2k1m s ALA 21 Cb -0.02 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.57 2k1m s ALA 21 CO -0.00 -1.64 1.87 0.00 0.00 0.00 0.00 175.76 175.99 2k1m n ALA 22 N -2.74 0.18 0.00 0.00 0.00 -1.19 -0.14 120.51 116.62 2k1m n ALA 22 Ca 0.11 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2k1m n ALA 22 Cb 0.51 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 4.87 2.62 3.62 0.00 0.00 -0.64 -5.00 105.19 110.66 2k1m n GLY 23 Ca 0.31 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2k1m n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k1m n SER 24 N 0.98 1.62 -4.74 1.61 2.88 0.81 -4.71 113.62 112.07 2k1m n SER 24 Ca 0.00 1.15 -0.41 0.00 -1.33 0.00 0.00 58.87 58.28 2k1m n SER 24 Cb 0.00 -1.35 -0.03 0.00 -0.75 0.00 0.00 64.21 62.08 2k1m n SER 24 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2k1m s PRO 25 N -1.74 4.40 -0.08 -1.46 0.04 -1.26 -4.65 135.00 130.25 2k1m s PRO 25 Ca 0.59 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.68 2k1m s PRO 25 Cb -0.63 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 30.74 2k1m s PRO 25 CO 0.60 -0.22 -0.09 0.00 0.04 0.00 0.00 177.00 177.33 2k1m s ALA 26 N -0.05 1.17 0.02 8.56 0.00 -0.40 -4.98 121.76 126.09 2k1m s ALA 26 Ca 0.55 -0.40 0.08 0.00 0.00 0.00 0.00 51.96 52.19 2k1m s ALA 26 Cb -0.36 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 2k1m s ALA 26 CO 0.39 -0.14 -0.23 0.54 0.00 0.00 0.00 175.76 176.32 2k1m s VAL 27 N 1.16 1.88 -0.11 0.00 0.11 -1.26 -0.18 120.40 122.00 2k1m s VAL 27 Ca -0.06 -1.19 0.04 0.00 -2.93 0.00 0.00 61.98 57.84 2k1m s VAL 27 Cb -0.14 -1.60 0.00 0.00 -1.53 0.00 0.00 36.38 33.11 2k1m s VAL 27 CO -0.02 0.37 -0.23 -0.36 -3.33 0.00 0.00 175.10 171.52 2k1m s PHE 28 N -0.71 2.59 -0.31 1.54 0.40 -0.42 -4.95 117.98 116.11 2k1m s PHE 28 Ca 0.09 -1.13 -0.13 0.00 -0.60 0.00 0.00 56.93 55.16 2k1m s PHE 28 Cb -0.09 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.67 2k1m s PHE 28 CO 0.01 -0.47 0.27 -2.00 0.70 0.00 0.00 175.22 173.73 2k1m s GLU 29 N 0.47 3.70 -0.15 0.44 2.12 -1.26 -1.41 118.70 122.61 2k1m s GLU 29 Ca -0.16 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 54.76 2k1m s GLU 29 Cb -0.17 -3.75 0.03 0.00 0.26 0.00 0.00 34.13 30.50 2k1m s GLU 29 CO 0.06 -0.37 -0.11 0.00 -0.54 0.00 0.00 175.26 174.30 2k1m s ALA 30 N 1.84 1.73 -0.14 6.30 0.00 0.44 -3.70 121.76 128.23 2k1m s ALA 30 Ca 0.09 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 2k1m s ALA 30 Cb -0.17 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 2k1m s ALA 30 CO 0.11 -0.49 0.06 -2.00 0.00 0.00 0.00 175.76 173.44 2k1m s GLU 31 N 1.54 3.61 0.19 0.00 2.12 0.84 -0.04 118.70 126.96 2k1m s GLU 31 Ca 0.04 -0.32 0.03 0.00 0.36 0.00 0.00 54.97 55.08 2k1m s GLU 31 Cb -0.13 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 2k1m s GLU 31 CO -0.10 0.49 0.33 0.95 -0.54 0.00 0.00 175.26 176.39 2k1m s THR 32 N -0.24 5.28 -2.29 -1.70 -4.23 -0.30 -1.07 115.64 111.09 2k1m s THR 32 Ca 0.08 -0.76 0.28 0.00 -1.18 0.00 0.00 61.69 60.12 2k1m s THR 32 Cb -0.12 -3.79 0.66 0.00 1.34 0.00 0.00 72.50 70.59 2k1m s THR 32 CO 0.01 -0.20 1.89 1.21 -0.54 0.00 0.00 174.62 176.99 2k1m n GLU 33 N -0.91 1.41 -5.04 3.99 2.13 -0.47 -4.06 120.64 117.69 2k1m n GLU 33 Ca -0.07 -0.61 -0.29 0.00 0.66 0.00 0.00 57.16 56.85 2k1m n GLU 33 Cb 0.55 -1.47 -0.16 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 -1.98 2.14 0.11 5.31 1.81 -1.26 -4.97 118.95 120.11 2k1m s ARG 34 Ca 0.40 -0.75 -0.25 0.00 -1.72 0.00 0.00 55.73 53.41 2k1m s ARG 34 Cb 0.21 -1.84 -0.07 0.00 -0.45 0.00 0.00 34.95 32.80 2k1m s ARG 34 CO 0.33 0.31 0.76 0.00 -0.68 0.00 0.00 175.30 176.02 2k1m s ALA 35 N -0.07 3.43 -0.57 2.13 0.00 -1.26 -3.68 121.76 121.74 2k1m s ALA 35 Ca -0.03 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2k1m s ALA 35 Cb -0.12 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2k1m s ALA 35 CO 0.03 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.41 2k1m n GLY 36 N 1.93 0.78 3.86 0.00 0.00 -1.26 -5.01 105.19 105.49 2k1m n GLY 36 Ca -0.05 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.14 4.74 -0.31 1.61 0.11 -1.24 -5.05 120.40 118.12 2k1m s VAL 37 Ca 0.00 0.75 -0.15 0.00 -2.93 0.00 0.00 61.98 59.65 2k1m s VAL 37 Cb 0.00 -3.69 -0.02 0.00 -1.53 0.00 0.00 36.38 31.14 2k1m s VAL 37 CO 0.00 -0.40 0.36 -0.54 -3.33 0.00 0.00 175.10 171.19 2k1m s LYS 38 N -3.54 3.76 -0.42 1.54 1.02 -1.26 -5.05 119.74 115.80 2k1m s LYS 38 Ca 0.52 -0.23 -0.13 0.00 0.02 0.00 0.00 55.97 56.16 2k1m s LYS 38 Cb -0.10 -3.74 0.05 0.00 -0.52 0.00 0.00 37.83 33.52 2k1m s LYS 38 CO 0.26 -0.42 0.29 0.08 -0.92 0.00 0.00 175.35 174.64 2k1m s VAL 39 N 2.05 4.81 0.25 3.17 1.01 -1.26 -3.33 120.40 127.09 2k1m s VAL 39 Ca 0.13 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 2k1m s VAL 39 Cb -0.16 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 2k1m s VAL 39 CO 0.11 -0.40 0.71 0.00 0.00 0.00 0.00 175.10 175.52 2k1m s ARG 40 N 1.57 4.13 0.13 2.72 1.04 0.93 -4.94 118.95 124.53 2k1m s ARG 40 Ca 0.03 0.75 0.10 0.00 -1.04 0.00 0.00 55.73 55.57 2k1m s ARG 40 Cb -0.21 -2.72 -0.04 0.00 -2.04 0.00 0.00 34.95 29.94 2k1m s ARG 40 CO 0.06 0.32 -0.24 -1.58 -0.04 0.00 0.00 175.30 173.82 2k1m s TRP 41 N -1.69 2.08 -0.06 5.89 0.52 -1.26 -1.27 118.94 123.15 2k1m s TRP 41 Ca 0.47 -0.40 -0.18 0.00 0.02 0.00 0.00 56.10 56.00 2k1m s TRP 41 Cb -0.14 -1.11 0.04 0.00 -1.15 0.00 0.00 33.47 31.10 2k1m s TRP 41 CO 0.20 0.30 0.42 -1.14 0.02 0.00 0.00 176.95 176.75 2k1m s GLN 42 N -2.12 0.72 0.37 4.98 0.74 0.97 -0.10 119.66 125.22 2k1m s GLN 42 Ca 0.12 0.10 0.08 0.00 0.05 0.00 0.00 55.36 55.71 2k1m s GLN 42 Cb -0.09 0.33 -0.07 0.00 1.10 0.00 0.00 33.01 34.28 2k1m s GLN 42 CO 0.06 -0.19 -0.02 0.50 -0.55 0.00 0.00 175.29 175.09 2k1m s ARG 43 N -0.93 1.94 -0.62 1.67 3.00 0.05 -1.07 118.95 122.99 2k1m s ARG 43 Ca -0.10 -1.95 -0.26 0.00 -1.00 0.00 0.00 55.73 52.42 2k1m s ARG 43 Cb -0.04 -1.75 -0.09 0.00 0.00 0.00 0.00 34.95 33.08 2k1m s ARG 43 CO 0.05 0.06 2.37 0.20 0.00 0.00 0.00 175.30 177.98 2k1m s GLY 44 N -3.68 -0.54 0.00 8.12 0.00 -1.23 -2.39 107.32 107.59 2k1m s GLY 44 Ca 0.34 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.70 2k1m s GLY 44 CO 0.18 4.13 0.00 0.61 0.00 0.00 0.00 173.10 178.02 2k1m n GLY 45 N 6.32 3.63 3.34 0.20 0.00 -1.26 -5.03 105.19 112.39 2k1m n GLY 45 Ca 0.40 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.07 0.64 1.61 0.15 -1.01 -5.16 113.70 110.00 2k1m s SER 46 Ca 0.00 -1.13 -0.12 0.00 0.70 0.00 0.00 55.95 55.41 2k1m s SER 46 Cb 0.00 0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 64.73 2k1m s SER 46 CO 0.00 -0.93 1.04 1.51 1.20 0.00 0.00 173.24 176.06 2k1m s ASP 47 N -3.07 5.91 0.04 5.45 1.47 -1.26 -0.77 116.67 124.44 2k1m s ASP 47 Ca 0.28 1.53 0.05 0.00 1.18 0.00 0.00 52.55 55.58 2k1m s ASP 47 Cb 0.04 -2.49 -0.04 0.00 -0.34 0.00 0.00 42.92 40.10 2k1m s ASP 47 CO 0.08 -1.09 -0.08 -0.63 0.68 0.00 0.00 175.17 174.13 2k1m s ILE 48 N -3.05 3.55 0.15 2.11 1.01 0.86 -4.68 121.20 121.15 2k1m s ILE 48 Ca 0.57 -0.95 -0.24 0.00 0.00 0.00 0.00 60.65 60.03 2k1m s ILE 48 Cb -0.12 -2.58 0.07 0.00 0.01 0.00 0.00 42.46 39.83 2k1m s ILE 48 CO 0.52 0.29 0.66 -0.44 0.00 0.00 0.00 174.94 175.97 2k1m s SER 49 N -1.70 -0.51 -0.78 3.58 0.01 -1.26 -4.07 113.70 108.97 2k1m s SER 49 Ca 0.19 -0.06 -0.26 0.00 1.31 0.00 0.00 55.95 57.13 2k1m s SER 49 Cb -0.11 0.58 -0.10 0.00 0.21 0.00 0.00 66.02 66.60 2k1m s SER 49 CO 0.10 -0.96 2.24 0.00 0.41 0.00 0.00 173.24 175.04 2k1m s ALA 50 N -3.67 1.17 0.25 1.44 0.00 -1.26 -4.47 121.76 115.22 2k1m s ALA 50 Ca 0.03 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 50.97 2k1m s ALA 50 Cb -0.01 -4.53 0.05 0.00 0.00 0.00 0.00 23.12 18.63 2k1m s ALA 50 CO -0.10 -5.31 0.64 -1.13 0.00 0.00 0.00 175.76 169.86 2k1m n SER 51 N 16.65 -1.60 -4.53 0.00 3.41 -1.26 -4.91 113.62 121.38 2k1m n SER 51 Ca 0.42 -2.04 -0.40 0.00 -0.26 0.00 0.00 58.87 56.58 2k1m n SER 51 Cb 0.46 2.65 0.02 0.00 -0.26 0.00 0.00 64.21 67.08 2k1m n SER 51 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2k1m n ASN 52 N -1.32 0.07 0.00 4.04 4.05 -1.26 -0.83 115.26 120.02 2k1m n ASN 52 Ca -0.05 0.91 0.00 0.00 0.45 0.00 0.00 54.58 55.89 2k1m n ASN 52 Cb 0.44 -1.24 0.00 0.00 1.23 0.00 0.00 39.78 40.21 2k1m n ASN 52 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 2k1m n LYS 53 N 0.12 0.00 -3.70 1.20 4.81 -1.26 -4.92 118.16 114.42 2k1m n LYS 53 Ca 0.11 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.43 2k1m n LYS 53 Cb 0.42 -3.01 -0.01 0.00 0.02 0.00 0.00 35.03 32.44 2k1m n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k1m n TYR 54 N -2.00 -1.70 -3.31 5.64 4.01 -0.01 -4.35 117.16 115.44 2k1m n TYR 54 Ca 0.00 -2.00 0.03 0.00 -0.16 0.00 0.00 57.90 55.76 2k1m n TYR 54 Cb 0.00 0.63 -0.03 0.00 -0.31 0.00 0.00 39.34 39.63 2k1m n TYR 54 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2k1m s GLY 55 N -2.97 -0.28 -0.13 2.72 0.00 -0.74 -4.16 107.32 101.77 2k1m s GLY 55 Ca 0.22 2.91 -0.02 0.00 0.00 0.00 0.00 44.72 47.83 2k1m s GLY 55 CO 0.16 3.39 -0.05 1.08 0.00 0.00 0.00 173.10 177.68 2k1m s LEU 56 N 2.60 3.19 -0.26 0.66 1.43 -1.26 -0.01 118.68 125.02 2k1m s LEU 56 Ca -0.00 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2k1m s LEU 56 Cb -0.08 -1.74 0.08 0.00 0.03 0.00 0.00 46.19 44.48 2k1m s LEU 56 CO -0.16 0.22 0.08 0.00 0.23 0.00 0.00 176.35 176.72 2k1m s ALA 57 N 0.06 1.12 0.02 4.21 0.00 -0.44 -4.89 121.76 121.85 2k1m s ALA 57 Ca -0.01 -1.16 -0.13 0.00 0.00 0.00 0.00 51.96 50.66 2k1m s ALA 57 Cb -0.14 -1.40 -0.06 0.00 0.00 0.00 0.00 23.12 21.53 2k1m s ALA 57 CO 0.03 -1.47 0.40 -0.08 0.00 0.00 0.00 175.76 174.64 2k1m s THR 58 N 1.82 5.05 -0.44 0.00 -1.32 -1.26 -1.82 115.64 117.67 2k1m s THR 58 Ca 0.05 0.72 0.05 0.00 -1.21 0.00 0.00 61.69 61.31 2k1m s THR 58 Cb -0.17 -3.69 0.20 0.00 -1.51 0.00 0.00 72.50 67.33 2k1m s THR 58 CO -0.21 0.49 0.43 -0.62 -2.21 0.00 0.00 174.62 172.50 2k1m n GLU 59 N 1.55 0.60 0.00 7.08 1.02 -0.07 -5.00 120.64 125.82 2k1m n GLU 59 Ca -0.12 -3.38 0.00 0.00 -0.02 0.00 0.00 57.16 53.64 2k1m n GLU 59 Cb 0.52 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 2k1m n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k1m n GLY 60 N 2.24 1.70 0.93 0.62 0.00 -1.26 -2.67 105.19 106.75 2k1m n GLY 60 Ca 0.26 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 0.69 -4.06 2.61 -2.24 -1.26 -4.18 114.28 105.84 2k1m n THR 61 Ca 0.00 -0.84 -0.32 0.00 -2.27 0.00 0.00 64.05 60.62 2k1m n THR 61 Cb 0.00 0.77 -0.16 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.15 2.37 0.03 -0.78 3.00 -1.09 -1.15 118.95 120.19 2k1m s ARG 62 Ca 0.32 -1.07 -0.01 0.00 0.00 0.00 0.00 55.73 54.98 2k1m s ARG 62 Cb 0.18 -2.67 -0.04 0.00 0.00 0.00 0.00 34.95 32.42 2k1m s ARG 62 CO 0.24 -0.44 0.19 -1.01 0.00 0.00 0.00 175.30 174.29 2k1m s HIS 63 N 1.24 3.52 -0.06 -0.53 3.76 0.94 -0.89 115.29 123.26 2k1m s HIS 63 Ca -0.03 0.28 -0.01 0.00 -0.15 0.00 0.00 55.06 55.15 2k1m s HIS 63 Cb -0.17 -1.78 0.03 0.00 1.11 0.00 0.00 32.58 31.77 2k1m s HIS 63 CO -0.08 0.61 0.01 0.99 -0.85 0.00 0.00 174.74 175.42 2k1m s THR 64 N -1.44 0.27 -0.36 1.30 2.01 -0.75 -0.42 115.64 116.25 2k1m s THR 64 Ca 0.32 0.19 -0.11 0.00 0.31 0.00 0.00 61.69 62.40 2k1m s THR 64 Cb -0.13 -0.44 0.01 0.00 0.01 0.00 0.00 72.50 71.95 2k1m s THR 64 CO 0.24 0.24 0.20 -0.22 -0.69 0.00 0.00 174.62 174.40 2k1m s LEU 65 N 2.01 4.58 -0.14 4.42 2.96 -0.50 -1.32 118.68 130.68 2k1m s LEU 65 Ca 0.05 -0.82 -0.12 0.00 -0.22 0.00 0.00 54.13 53.01 2k1m s LEU 65 Cb -0.12 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 2k1m s LEU 65 CO -0.05 -0.33 0.26 -0.89 -1.32 0.00 0.00 176.35 174.02 2k1m s THR 66 N 1.59 5.32 -0.19 3.68 2.01 0.99 -1.30 115.64 127.74 2k1m s THR 66 Ca 0.03 0.47 -0.04 0.00 0.31 0.00 0.00 61.69 62.46 2k1m s THR 66 Cb -0.18 -3.58 0.07 0.00 0.01 0.00 0.00 72.50 68.81 2k1m s THR 66 CO 0.07 0.45 0.08 -0.69 -0.69 0.00 0.00 174.62 173.84 2k1m s VAL 67 N 0.07 0.08 -0.14 3.82 1.01 0.74 -1.80 120.40 124.18 2k1m s VAL 67 Ca 0.16 -0.36 0.19 0.00 0.00 0.00 0.00 61.98 61.97 2k1m s VAL 67 Cb -0.13 -0.75 -0.15 0.00 0.00 0.00 0.00 36.38 35.34 2k1m s VAL 67 CO 0.04 -0.33 0.73 0.54 0.00 0.00 0.00 175.10 176.08 2k1m n ARG 68 N 5.21 0.63 0.00 2.72 1.74 -1.26 -1.27 116.66 124.43 2k1m n ARG 68 Ca -0.07 0.09 0.07 0.00 -0.77 0.00 0.00 57.85 57.17 2k1m n ARG 68 Cb 0.48 -1.72 0.34 0.00 -1.02 0.00 0.00 32.46 30.53 2k1m n ARG 68 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2k1m n GLU 69 N -2.70 0.05 -1.58 5.56 4.07 -1.26 -4.54 120.64 120.24 2k1m n GLU 69 Ca -0.09 0.22 -0.45 0.00 -0.06 0.00 0.00 57.16 56.78 2k1m n GLU 69 Cb 0.75 -1.50 -0.02 0.00 -0.06 0.00 0.00 31.44 30.61 2k1m n GLU 69 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2k1m n VAL 70 N -1.45 1.81 -2.65 6.31 3.14 -1.25 -4.79 118.33 119.44 2k1m n VAL 70 Ca 0.05 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 2k1m n VAL 70 Cb 0.16 -0.95 0.00 0.00 -1.06 0.00 0.00 33.84 31.99 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 1.39 2.12 0.24 7.55 0.00 -1.26 -1.62 105.19 113.61 2k1m n GLY 71 Ca 0.11 -0.82 0.16 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.35 132.00 129.46 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 -2.01 3.48 0.38 -0.56 0.00 -1.26 -3.78 120.51 116.76 2k1m n ALA 73 Ca 0.01 -0.35 0.07 0.00 0.00 0.00 0.00 53.44 53.17 2k1m n ALA 73 Cb 0.28 -1.09 0.09 0.00 0.00 0.00 0.00 19.45 18.73 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 2.42 -4.53 0.00 8.00 -0.92 -4.86 116.55 115.00 2k1m n ASP 74 Ca 0.05 -1.69 -0.30 0.00 0.71 0.00 0.00 54.79 53.56 2k1m n ASP 74 Cb 0.37 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 2k1m n ASP 74 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2k1m n GLN 75 N 0.79 1.67 0.00 -1.24 7.27 -1.03 -4.58 117.38 120.26 2k1m n GLN 75 Ca 0.10 -2.48 0.00 0.00 0.07 0.00 0.00 57.00 54.69 2k1m n GLN 75 Cb 0.38 -3.69 0.00 0.00 2.41 0.00 0.00 30.24 29.35 2k1m n GLN 75 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k1m n GLY 76 N 5.70 2.96 3.36 1.69 0.00 -1.25 -5.00 105.19 112.65 2k1m n GLY 76 Ca 0.45 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 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 1.92 -0.03 1.61 1.04 -1.26 -3.30 113.70 114.68 2k1m s SER 77 Ca 0.00 -1.28 0.01 0.00 0.48 0.00 0.00 55.95 55.16 2k1m s SER 77 Cb 0.00 -0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.14 2k1m s SER 77 CO 0.00 -0.56 -0.03 -0.31 0.98 0.00 0.00 173.24 173.32 2k1m s TYR 78 N -3.41 0.57 -0.06 5.02 1.51 0.12 -3.55 117.35 117.55 2k1m s TYR 78 Ca 0.32 -0.12 0.05 0.00 -1.01 0.00 0.00 57.07 56.30 2k1m s TYR 78 Cb 0.07 -0.52 -0.02 0.00 -0.11 0.00 0.00 41.96 41.38 2k1m s TYR 78 CO 0.11 -0.13 -0.20 0.00 -1.11 0.00 0.00 175.55 174.21 2k1m s ALA 79 N 0.73 2.37 -0.14 3.71 0.00 -0.23 -0.52 121.76 127.69 2k1m s ALA 79 Ca -0.09 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 50.80 2k1m s ALA 79 Cb -0.12 -0.81 0.06 0.00 0.00 0.00 0.00 23.12 22.25 2k1m s ALA 79 CO -0.00 0.45 0.30 0.54 0.00 0.00 0.00 175.76 177.05 2k1m s VAL 80 N -0.33 -0.27 0.07 0.00 0.11 -0.10 -0.02 120.40 119.86 2k1m s VAL 80 Ca 0.02 0.20 0.08 0.00 -2.93 0.00 0.00 61.98 59.35 2k1m s VAL 80 Cb -0.12 -0.47 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 2k1m s VAL 80 CO 0.02 0.08 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.04 2k1m s ILE 81 N 1.93 2.62 -0.37 7.04 1.01 -0.40 -1.34 121.20 131.69 2k1m s ILE 81 Ca -0.04 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.25 2k1m s ILE 81 Cb -0.11 -2.12 0.13 0.00 0.01 0.00 0.00 42.46 40.37 2k1m s ILE 81 CO -0.10 0.26 0.19 0.00 0.00 0.00 0.00 174.94 175.30 2k1m s ALA 82 N -0.97 1.48 0.00 9.38 0.00 -0.54 -0.05 121.76 131.07 2k1m s ALA 82 Ca 0.15 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 50.07 2k1m s ALA 82 Cb -0.10 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.32 2k1m s ALA 82 CO 0.06 -1.97 0.00 0.41 0.00 0.00 0.00 175.76 174.26 2k1m n GLY 83 N 4.11 1.81 0.71 0.00 0.00 -1.21 -3.32 105.19 107.28 2k1m n GLY 83 Ca 0.06 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 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 4.98 0.84 -4.75 1.61 7.64 -1.26 -5.02 113.62 117.66 2k1m n SER 84 Ca 0.00 0.06 -0.41 0.00 1.01 0.00 0.00 58.87 59.53 2k1m n SER 84 Cb 0.00 -0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.00 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 -5.45 6.70 -0.11 6.43 0.15 -1.21 -5.02 113.70 115.19 2k1m s SER 85 Ca -0.09 2.66 0.02 0.00 0.70 0.00 0.00 55.95 59.24 2k1m s SER 85 Cb 0.03 -2.63 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2k1m s SER 85 CO 0.11 -0.65 -0.15 -0.54 1.20 0.00 0.00 173.24 173.21 2k1m s LYS 86 N -0.76 2.23 0.07 5.44 1.02 -1.26 -1.46 119.74 125.02 2k1m s LYS 86 Ca 0.56 -0.57 0.05 0.00 0.02 0.00 0.00 55.97 56.04 2k1m s LYS 86 Cb -0.41 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 2k1m s LYS 86 CO 0.46 -0.06 -0.14 0.54 -0.92 0.00 0.00 175.35 175.23 2k1m s VAL 87 N 0.99 1.07 0.00 3.17 0.11 -0.45 -5.01 120.40 120.27 2k1m s VAL 87 Ca -0.07 -1.28 0.01 0.00 -2.93 0.00 0.00 61.98 57.72 2k1m s VAL 87 Cb -0.15 -1.03 -0.01 0.00 -1.53 0.00 0.00 36.38 33.66 2k1m s VAL 87 CO -0.02 -0.23 -0.05 -0.54 -3.33 0.00 0.00 175.10 170.94 2k1m s LYS 88 N -1.70 0.37 0.34 1.54 3.01 -1.26 -0.92 119.74 121.11 2k1m s LYS 88 Ca -0.02 -0.21 0.06 0.00 -1.01 0.00 0.00 55.97 54.79 2k1m s LYS 88 Cb -0.10 -0.33 -0.07 0.00 -1.01 0.00 0.00 37.83 36.32 2k1m s LYS 88 CO 0.02 0.09 -0.00 -0.59 0.51 0.00 0.00 175.35 175.38 2k1m s PHE 89 N -0.22 2.17 0.21 3.18 -0.71 0.32 -4.96 117.98 117.97 2k1m s PHE 89 Ca 0.00 -0.76 0.01 0.00 -1.04 0.00 0.00 56.93 55.14 2k1m s PHE 89 Cb -0.02 -1.40 -0.04 0.00 -1.21 0.00 0.00 43.02 40.35 2k1m s PHE 89 CO -0.00 0.27 0.38 -0.51 -1.34 0.00 0.00 175.22 174.02 2k1m s ASP 90 N -3.55 6.36 -0.26 1.98 1.11 -1.26 0.14 116.67 121.18 2k1m s ASP 90 Ca 0.34 0.31 0.02 0.00 0.18 0.00 0.00 52.55 53.40 2k1m s ASP 90 Cb 0.07 -1.97 0.07 0.00 1.07 0.00 0.00 42.92 42.16 2k1m s ASP 90 CO 0.15 -0.05 -0.05 -0.22 1.18 0.00 0.00 175.17 176.18 2k1m s LEU 91 N -3.49 3.02 0.46 1.23 2.96 -1.21 -3.64 118.68 118.02 2k1m s LEU 91 Ca 0.37 -1.36 -0.07 0.00 -0.22 0.00 0.00 54.13 52.86 2k1m s LEU 91 Cb -0.11 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 2k1m s LEU 91 CO 0.30 -0.24 0.78 -0.54 -1.32 0.00 0.00 176.35 175.32 2k1m s LYS 92 N 1.27 3.61 -0.06 1.98 1.02 -0.64 -3.81 119.74 123.10 2k1m s LYS 92 Ca -0.05 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.24 2k1m s LYS 92 Cb -0.19 -2.38 0.02 0.00 -0.52 0.00 0.00 37.83 34.76 2k1m s LYS 92 CO -0.07 -0.16 -0.09 0.54 -0.92 0.00 0.00 175.35 174.66 2k1m s VAL 93 N -2.64 0.89 0.30 3.17 0.11 -1.26 -2.01 120.40 118.97 2k1m s VAL 93 Ca 0.48 -0.32 -0.11 0.00 -2.93 0.00 0.00 61.98 59.11 2k1m s VAL 93 Cb -0.10 -0.86 -0.08 0.00 -1.53 0.00 0.00 36.38 33.81 2k1m s VAL 93 CO 0.41 0.31 0.65 -0.63 -3.33 0.00 0.00 175.10 172.51 2k1m s ILE 94 N 0.92 4.83 0.00 7.04 1.01 -0.41 -4.83 121.20 129.76 2k1m s ILE 94 Ca -0.10 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.17 2k1m s ILE 94 Cb -0.15 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2k1m s ILE 94 CO 0.01 -0.21 0.26 1.21 0.00 0.00 0.00 174.94 176.20