#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 1.60 0.66 0.54 -1.05 -1.26 -5.13 118.70 114.06 2k1m s GLU 2 Ca 0.00 -1.66 -0.15 0.00 -0.15 0.00 0.00 54.97 53.01 2k1m s GLU 2 Cb 0.00 -1.78 -0.00 0.00 -0.44 0.00 0.00 34.13 31.90 2k1m s GLU 2 CO 0.00 0.36 1.11 -1.25 0.95 0.00 0.00 175.26 176.43 2k1m s PRO 3 N -3.16 2.82 0.37 -4.83 0.04 -1.26 -4.95 135.00 124.02 2k1m s PRO 3 Ca 0.26 1.40 0.19 0.00 0.04 0.00 0.00 61.00 62.88 2k1m s PRO 3 Cb -0.06 -1.95 0.63 0.00 0.04 0.00 0.00 34.50 33.16 2k1m s PRO 3 CO 0.13 -1.24 1.71 0.78 0.04 0.00 0.00 177.00 178.42 2k1m h GLY 4 N 0.06 0.00 -4.42 0.56 0.00 -2.09 -3.44 103.07 93.74 2k1m h GLY 4 Ca -0.47 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.19 2k1m h GLY 4 CO 0.54 0.00 -0.75 0.54 0.00 0.00 0.00 176.54 176.87 2k1m s LYS 5 N -3.55 2.20 0.75 4.80 1.02 -1.26 -5.12 119.74 118.57 2k1m s LYS 5 Ca 0.00 -0.95 -0.11 0.00 0.02 0.00 0.00 55.97 54.93 2k1m s LYS 5 Cb 0.11 -2.31 0.04 0.00 -0.52 0.00 0.00 37.83 35.14 2k1m s LYS 5 CO 0.69 0.54 1.08 0.15 -0.92 0.00 0.00 175.35 176.88 2k1m s LYS 6 N -1.85 2.50 0.33 1.68 1.02 -1.26 -5.00 119.74 117.16 2k1m s LYS 6 Ca 0.19 1.01 -0.28 0.00 0.02 0.00 0.00 55.97 56.90 2k1m s LYS 6 Cb -0.11 -1.94 -0.10 0.00 -0.52 0.00 0.00 37.83 35.17 2k1m s LYS 6 CO 0.10 -1.43 1.22 -1.25 -0.92 0.00 0.00 175.35 173.07 2k1m s PRO 7 N -4.99 4.36 -0.51 -1.68 0.04 -1.26 -4.88 135.00 126.07 2k1m s PRO 7 Ca 0.60 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 63.34 2k1m s PRO 7 Cb -0.16 -3.01 -0.12 0.00 0.04 0.00 0.00 34.50 31.26 2k1m s PRO 7 CO 0.55 -0.11 2.36 0.28 0.04 0.00 0.00 177.00 180.13 2k1m n VAL 8 N 0.72 0.07 -2.04 -0.36 0.31 -1.26 -4.86 118.33 110.92 2k1m n VAL 8 Ca 0.01 -0.39 -0.42 0.00 -0.01 0.00 0.00 64.34 63.53 2k1m n VAL 8 Cb 0.44 -1.83 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 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 9.25 6.70 -0.18 4.52 0.15 -1.26 -4.83 113.70 128.03 2k1m s SER 9 Ca 1.11 2.29 0.16 0.00 0.70 0.00 0.00 55.95 60.21 2k1m s SER 9 Cb -0.69 -2.55 0.48 0.00 -1.71 0.00 0.00 66.02 61.54 2k1m s SER 9 CO 0.41 -0.85 1.37 0.00 1.20 0.00 0.00 173.24 175.37 2k1m n ALA 10 N 6.06 3.00 -3.56 5.45 0.00 -1.26 -4.70 120.51 125.50 2k1m n ALA 10 Ca 0.16 -2.48 -0.29 0.00 0.00 0.00 0.00 53.44 50.83 2k1m n ALA 10 Cb 0.42 -0.65 -0.12 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.89 1.20 0.29 0.00 0.40 -1.26 -1.46 117.98 114.27 2k1m s PHE 11 Ca 0.40 -1.92 0.04 0.00 -0.60 0.00 0.00 56.93 54.85 2k1m s PHE 11 Cb 0.34 -1.29 0.69 0.00 0.51 0.00 0.00 43.02 43.26 2k1m s PHE 11 CO 0.07 -0.81 1.78 1.03 0.70 0.00 0.00 175.22 177.98 2k1m h SER 12 N 6.92 0.75 -3.13 1.36 0.87 -1.26 -3.37 113.55 115.70 2k1m h SER 12 Ca 0.03 0.09 -0.50 0.00 -1.23 0.00 0.00 61.79 60.18 2k1m h SER 12 Cb 0.95 -0.04 -0.40 0.00 -0.44 0.00 0.00 62.40 62.47 2k1m h SER 12 CO 0.35 0.28 -0.76 -0.75 -0.53 0.00 0.00 176.83 175.42 2k1m s LYS 13 N -5.89 0.37 0.21 2.24 2.47 -0.52 -4.95 119.74 113.67 2k1m s LYS 13 Ca -0.11 -0.34 -0.30 0.00 -1.56 0.00 0.00 55.97 53.66 2k1m s LYS 13 Cb 0.24 -1.90 -0.08 0.00 -1.46 0.00 0.00 37.83 34.63 2k1m s LYS 13 CO 0.80 -0.71 1.08 0.21 0.16 0.00 0.00 175.35 176.89 2k1m s LYS 14 N 1.98 4.63 -0.17 4.03 2.20 -1.26 -0.07 119.74 131.08 2k1m s LYS 14 Ca 0.02 1.72 -0.29 0.00 -0.36 0.00 0.00 55.97 57.06 2k1m s LYS 14 Cb -0.17 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 2k1m s LYS 14 CO -0.12 0.15 1.58 -1.25 -0.36 0.00 0.00 175.35 175.34 2k1m s PRO 15 N -0.71 3.96 0.64 4.03 0.04 -1.25 -4.91 135.00 136.80 2k1m s PRO 15 Ca 0.47 1.80 -0.10 0.00 0.04 0.00 0.00 61.00 63.22 2k1m s PRO 15 Cb -0.30 -3.98 -0.01 0.00 0.04 0.00 0.00 34.50 30.25 2k1m s PRO 15 CO 0.36 -1.09 1.02 -0.98 0.04 0.00 0.00 177.00 176.35 2k1m s ARG 16 N 4.34 3.22 0.65 4.56 1.70 -1.26 -4.61 118.95 127.54 2k1m s ARG 16 Ca 0.70 0.50 -0.15 0.00 -0.47 0.00 0.00 55.73 56.31 2k1m s ARG 16 Cb -0.27 -2.10 -0.01 0.00 -0.57 0.00 0.00 34.95 32.00 2k1m s ARG 16 CO 0.27 -0.74 1.10 -1.54 -1.08 0.00 0.00 175.30 173.31 2k1m s SER 17 N -4.26 5.21 0.00 -2.89 1.04 -1.26 -4.89 113.70 106.65 2k1m s SER 17 Ca 0.55 1.98 -0.07 0.00 0.48 0.00 0.00 55.95 58.90 2k1m s SER 17 Cb -0.11 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2k1m s SER 17 CO 0.51 -1.56 0.13 -0.69 0.98 0.00 0.00 173.24 172.61 2k1m s VAL 18 N -2.34 0.08 -0.17 5.02 1.01 -1.22 -5.02 120.40 117.76 2k1m s VAL 18 Ca 0.67 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2k1m s VAL 18 Cb -0.20 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.77 2k1m s VAL 18 CO 0.41 -0.36 -0.12 -1.83 0.00 0.00 0.00 175.10 173.19 2k1m s GLU 19 N -1.30 3.27 -0.02 2.72 -1.05 -1.26 -0.82 118.70 120.25 2k1m s GLU 19 Ca -0.14 -0.71 0.02 0.00 -0.15 0.00 0.00 54.97 54.00 2k1m s GLU 19 Cb -0.07 -2.74 0.00 0.00 -0.44 0.00 0.00 34.13 30.87 2k1m s GLU 19 CO 0.01 -0.04 -0.08 0.14 0.95 0.00 0.00 175.26 176.24 2k1m s VAL 20 N 1.00 0.67 0.81 1.83 -7.23 -0.88 -4.78 120.40 111.82 2k1m s VAL 20 Ca -0.01 -0.32 -0.11 0.00 -1.81 0.00 0.00 61.98 59.73 2k1m s VAL 20 Cb -0.15 -0.59 0.08 0.00 0.56 0.00 0.00 36.38 36.28 2k1m s VAL 20 CO -0.02 0.21 1.11 0.00 -0.31 0.00 0.00 175.10 176.09 2k1m s ALA 21 N 0.06 2.04 -0.30 1.32 0.00 -1.26 -1.23 121.76 122.38 2k1m s ALA 21 Ca -0.01 0.39 -0.38 0.00 0.00 0.00 0.00 51.96 51.96 2k1m s ALA 21 Cb -0.06 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.59 2k1m s ALA 21 CO -0.00 -2.04 1.98 0.00 0.00 0.00 0.00 175.76 175.70 2k1m n ALA 22 N -3.67 0.51 0.00 0.00 0.00 -1.21 -0.09 120.51 116.06 2k1m n ALA 22 Ca 0.10 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2k1m n ALA 22 Cb 0.53 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 5.46 2.74 3.60 0.00 0.00 -0.66 -5.00 105.19 111.33 2k1m n GLY 23 Ca 0.34 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 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 0.78 1.46 -4.74 1.61 2.88 0.88 -4.67 113.62 111.82 2k1m n SER 24 Ca 0.00 1.18 -0.41 0.00 -1.33 0.00 0.00 58.87 58.31 2k1m n SER 24 Cb 0.00 -1.31 -0.03 0.00 -0.75 0.00 0.00 64.21 62.12 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 -1.60 4.39 -0.07 -1.46 0.04 -1.26 -4.63 135.00 130.41 2k1m s PRO 25 Ca 0.58 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.67 2k1m s PRO 25 Cb -0.68 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 30.68 2k1m s PRO 25 CO 0.60 -0.24 -0.07 0.00 0.04 0.00 0.00 177.00 177.34 2k1m s ALA 26 N 0.08 1.00 -0.02 8.56 0.00 -0.61 -4.97 121.76 125.81 2k1m s ALA 26 Ca 0.56 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.30 2k1m s ALA 26 Cb -0.36 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 2k1m s ALA 26 CO 0.38 -0.16 -0.21 0.54 0.00 0.00 0.00 175.76 176.32 2k1m s VAL 27 N 1.23 1.65 -0.08 0.00 0.11 -1.26 -1.01 120.40 121.04 2k1m s VAL 27 Ca -0.05 -0.90 0.04 0.00 -2.93 0.00 0.00 61.98 58.14 2k1m s VAL 27 Cb -0.14 -1.37 -0.01 0.00 -1.53 0.00 0.00 36.38 33.32 2k1m s VAL 27 CO -0.02 0.47 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.66 2k1m s PHE 28 N -0.49 2.60 -0.30 1.54 0.40 -0.60 -4.95 117.98 116.18 2k1m s PHE 28 Ca 0.08 -0.64 -0.10 0.00 -0.60 0.00 0.00 56.93 55.67 2k1m s PHE 28 Cb -0.08 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 2k1m s PHE 28 CO -0.01 -0.17 0.16 -2.00 0.70 0.00 0.00 175.22 173.90 2k1m s GLU 29 N -0.07 3.49 -0.15 0.44 2.12 -1.26 -1.32 118.70 121.95 2k1m s GLU 29 Ca -0.05 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.67 2k1m s GLU 29 Cb -0.14 -3.57 0.03 0.00 0.26 0.00 0.00 34.13 30.70 2k1m s GLU 29 CO 0.04 -0.35 -0.10 0.00 -0.54 0.00 0.00 175.26 174.31 2k1m s ALA 30 N 1.65 1.66 -0.11 6.30 0.00 0.69 -3.77 121.76 128.17 2k1m s ALA 30 Ca 0.05 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 2k1m s ALA 30 Cb -0.17 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2k1m s ALA 30 CO 0.07 -0.50 0.05 -2.00 0.00 0.00 0.00 175.76 173.38 2k1m s GLU 31 N 1.57 3.27 0.22 0.00 2.12 0.89 0.00 118.70 126.78 2k1m s GLU 31 Ca 0.04 -0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.06 2k1m s GLU 31 Cb -0.13 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 2k1m s GLU 31 CO -0.09 0.66 0.39 0.95 -0.54 0.00 0.00 175.26 176.63 2k1m s THR 32 N -0.73 5.22 -2.22 -1.70 -4.23 -0.18 -1.26 115.64 110.53 2k1m s THR 32 Ca 0.12 -0.55 0.23 0.00 -1.18 0.00 0.00 61.69 60.31 2k1m s THR 32 Cb -0.12 -3.78 0.54 0.00 1.34 0.00 0.00 72.50 70.48 2k1m s THR 32 CO 0.03 -0.25 1.70 1.21 -0.54 0.00 0.00 174.62 176.76 2k1m n GLU 33 N -0.96 1.45 -3.87 3.99 0.00 -0.53 -3.71 120.64 117.01 2k1m n GLU 33 Ca -0.06 -0.67 -0.11 0.00 0.00 0.00 0.00 57.16 56.31 2k1m n GLU 33 Cb 0.55 -1.40 -0.11 0.00 0.00 0.00 0.00 31.44 30.49 2k1m n GLU 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2k1m s ARG 34 N -1.91 0.40 0.33 5.31 6.06 -1.26 -4.92 118.95 122.96 2k1m s ARG 34 Ca 0.34 -0.29 0.06 0.00 -2.50 0.00 0.00 55.73 53.34 2k1m s ARG 34 Cb 0.17 0.17 -0.01 0.00 0.06 0.00 0.00 34.95 35.34 2k1m s ARG 34 CO 0.28 -0.09 0.47 0.00 -2.50 0.00 0.00 175.30 173.46 2k1m s ALA 35 N -1.07 4.13 0.00 6.12 0.00 -1.26 -4.52 121.76 125.17 2k1m s ALA 35 Ca -0.12 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.47 2k1m s ALA 35 Cb -0.06 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.32 2k1m s ALA 35 CO 0.01 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.15 2k1m n GLY 36 N -1.65 2.16 3.75 0.00 0.00 -1.26 -5.00 105.19 103.18 2k1m n GLY 36 Ca -0.01 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.21 2.74 -0.19 1.61 -7.23 -1.26 -5.02 120.40 110.83 2k1m s VAL 37 Ca 0.00 0.40 -0.07 0.00 -1.81 0.00 0.00 61.98 60.49 2k1m s VAL 37 Cb 0.00 -3.02 -0.04 0.00 0.56 0.00 0.00 36.38 33.88 2k1m s VAL 37 CO 0.00 -0.16 0.06 -0.54 -0.31 0.00 0.00 175.10 174.15 2k1m s LYS 38 N -3.70 3.91 -0.22 4.82 1.02 -1.26 -5.02 119.74 119.29 2k1m s LYS 38 Ca 0.73 -0.37 -0.28 0.00 0.02 0.00 0.00 55.97 56.07 2k1m s LYS 38 Cb -0.27 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 2k1m s LYS 38 CO 0.38 0.19 1.00 0.08 -0.92 0.00 0.00 175.35 176.08 2k1m s VAL 39 N 0.60 4.72 -0.01 3.17 1.01 -1.26 -4.45 120.40 124.17 2k1m s VAL 39 Ca 0.03 1.95 -0.19 0.00 0.00 0.00 0.00 61.98 63.78 2k1m s VAL 39 Cb -0.13 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 2k1m s VAL 39 CO 0.01 -0.14 0.53 -0.60 0.00 0.00 0.00 175.10 174.90 2k1m s ARG 40 N 3.00 4.22 -0.05 2.72 3.00 0.11 -4.97 118.95 126.98 2k1m s ARG 40 Ca 0.43 0.61 0.06 0.00 -1.00 0.00 0.00 55.73 55.83 2k1m s ARG 40 Cb -0.15 -3.32 -0.01 0.00 0.00 0.00 0.00 34.95 31.46 2k1m s ARG 40 CO 0.08 0.44 -0.24 -1.58 0.00 0.00 0.00 175.30 174.00 2k1m s TRP 41 N -0.36 2.45 0.00 5.12 0.52 -1.26 -0.86 118.94 124.55 2k1m s TRP 41 Ca 0.28 -0.59 -0.03 0.00 0.02 0.00 0.00 56.10 55.79 2k1m s TRP 41 Cb -0.17 -1.59 -0.01 0.00 -1.15 0.00 0.00 33.47 30.55 2k1m s TRP 41 CO 0.15 -0.13 0.04 -1.14 0.02 0.00 0.00 176.95 175.90 2k1m s GLN 42 N -0.32 0.28 -0.49 4.98 0.74 0.90 -0.07 119.66 125.68 2k1m s GLN 42 Ca 0.01 -0.34 -0.02 0.00 0.05 0.00 0.00 55.36 55.06 2k1m s GLN 42 Cb -0.13 0.11 0.13 0.00 1.10 0.00 0.00 33.01 34.23 2k1m s GLN 42 CO 0.02 -0.05 0.29 0.50 -0.55 0.00 0.00 175.29 175.50 2k1m s ARG 43 N -0.98 2.19 3.26 1.67 3.00 0.89 -0.97 118.95 128.00 2k1m s ARG 43 Ca -0.11 -2.13 0.00 0.00 -1.00 0.00 0.00 55.73 52.49 2k1m s ARG 43 Cb -0.06 -3.61 0.00 0.00 0.00 0.00 0.00 34.95 31.28 2k1m s ARG 43 CO -0.00 -1.11 0.00 0.41 0.00 0.00 0.00 175.30 174.60 2k1m n GLY 44 N 4.08 0.30 0.13 8.12 0.00 -1.23 -1.94 105.19 114.65 2k1m n GLY 44 Ca 0.02 0.65 -0.19 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.36 3.78 -0.02 0.00 -1.26 -4.96 105.19 102.36 2k1m n GLY 45 Ca 0.00 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 2k1m n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1m s SER 46 N -6.57 7.34 0.35 1.61 1.04 -0.82 -5.05 113.70 111.60 2k1m s SER 46 Ca -0.35 1.77 -0.17 0.00 0.48 0.00 0.00 55.95 57.68 2k1m s SER 46 Cb 0.09 -2.55 -0.10 0.00 0.10 0.00 0.00 66.02 63.56 2k1m s SER 46 CO 0.59 -0.01 0.80 1.51 0.98 0.00 0.00 173.24 177.12 2k1m s ASP 47 N -1.54 6.83 -0.07 7.02 -4.77 -1.26 -0.08 116.67 122.80 2k1m s ASP 47 Ca 0.47 1.40 -0.00 0.00 -3.30 0.00 0.00 52.55 51.12 2k1m s ASP 47 Cb -0.19 -2.42 -0.03 0.00 -1.09 0.00 0.00 42.92 39.18 2k1m s ASP 47 CO 0.24 -0.25 -0.03 -0.63 0.70 0.00 0.00 175.17 175.21 2k1m s ILE 48 N -2.04 4.04 -0.04 2.11 1.01 0.90 -4.74 121.20 122.44 2k1m s ILE 48 Ca 0.56 -0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 2k1m s ILE 48 Cb -0.10 -2.69 0.08 0.00 0.01 0.00 0.00 42.46 39.75 2k1m s ILE 48 CO 0.16 0.57 0.71 -0.44 0.00 0.00 0.00 174.94 175.94 2k1m s SER 49 N -0.95 -0.61 -0.61 3.58 0.01 -1.26 -4.17 113.70 109.68 2k1m s SER 49 Ca 0.14 0.60 -0.30 0.00 1.31 0.00 0.00 55.95 57.71 2k1m s SER 49 Cb -0.11 0.52 -0.12 0.00 0.21 0.00 0.00 66.02 66.51 2k1m s SER 49 CO 0.03 -0.61 2.45 0.00 0.41 0.00 0.00 173.24 175.52 2k1m n ALA 50 N 0.75 0.72 -3.80 1.44 0.00 -1.26 -4.64 120.51 113.72 2k1m n ALA 50 Ca -0.18 -0.54 0.09 0.00 0.00 0.00 0.00 53.44 52.82 2k1m n ALA 50 Cb 0.58 -2.78 0.02 0.00 0.00 0.00 0.00 19.45 17.27 2k1m n ALA 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k1m n SER 51 N 12.91 -1.37 -4.56 0.00 3.41 -1.26 -4.96 113.62 117.79 2k1m n SER 51 Ca 0.47 -1.62 -0.42 0.00 -0.26 0.00 0.00 58.87 57.04 2k1m n SER 51 Cb 0.32 2.20 0.01 0.00 -0.26 0.00 0.00 64.21 66.48 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 -1.13 0.60 0.00 4.04 5.15 -1.26 -0.66 115.26 122.00 2k1m n ASN 52 Ca -0.00 1.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.98 2k1m n ASN 52 Cb 0.50 -1.28 0.00 0.00 -0.53 0.00 0.00 39.78 38.48 2k1m n ASN 52 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2k1m n LYS 53 N 0.28 -0.33 -3.99 1.20 4.81 -1.26 -4.92 118.16 113.94 2k1m n LYS 53 Ca 0.10 0.08 -0.12 0.00 -0.87 0.00 0.00 58.31 57.50 2k1m n LYS 53 Cb 0.39 -3.51 -0.02 0.00 0.02 0.00 0.00 35.03 31.90 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 -2.30 0.68 -0.28 5.64 2.02 0.16 -4.34 117.35 118.93 2k1m s TYR 54 Ca 0.00 -1.06 -0.23 0.00 -0.37 0.00 0.00 57.07 55.41 2k1m s TYR 54 Cb 0.00 0.23 0.11 0.00 -0.40 0.00 0.00 41.96 41.90 2k1m s TYR 54 CO 0.00 -1.24 0.90 0.20 -1.57 0.00 0.00 175.55 173.84 2k1m s GLY 55 N -3.16 -0.29 -0.02 0.71 0.00 0.71 -4.11 107.32 101.16 2k1m s GLY 55 Ca 0.25 2.55 0.05 0.00 0.00 0.00 0.00 44.72 47.57 2k1m s GLY 55 CO 0.16 1.99 -0.18 1.08 0.00 0.00 0.00 173.10 176.16 2k1m s LEU 56 N 0.60 1.99 -0.26 0.66 2.01 -1.26 -0.13 118.68 122.30 2k1m s LEU 56 Ca -0.01 -0.34 -0.02 0.00 0.01 0.00 0.00 54.13 53.77 2k1m s LEU 56 Cb -0.05 -0.94 0.08 0.00 0.01 0.00 0.00 46.19 45.29 2k1m s LEU 56 CO -0.07 0.20 0.09 0.00 1.01 0.00 0.00 176.35 177.57 2k1m s ALA 57 N -0.27 1.07 -0.10 4.21 0.00 0.80 -4.97 121.76 122.49 2k1m s ALA 57 Ca 0.03 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 2k1m s ALA 57 Cb -0.08 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 2k1m s ALA 57 CO 0.00 -1.48 0.07 -0.08 0.00 0.00 0.00 175.76 174.27 2k1m s THR 58 N 1.85 4.88 -0.38 0.00 -1.32 -1.26 -0.09 115.64 119.31 2k1m s THR 58 Ca 0.06 -0.03 0.04 0.00 -1.21 0.00 0.00 61.69 60.55 2k1m s THR 58 Cb -0.17 -3.09 0.16 0.00 -1.51 0.00 0.00 72.50 67.89 2k1m s THR 58 CO -0.22 0.61 0.43 -1.61 -2.21 0.00 0.00 174.62 171.62 2k1m s GLU 59 N -0.94 0.70 4.58 7.08 2.02 -0.43 -5.02 118.70 126.68 2k1m s GLU 59 Ca 0.14 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2k1m s GLU 59 Cb -0.12 -0.60 0.00 0.00 0.10 0.00 0.00 34.13 33.51 2k1m s GLU 59 CO 0.03 -1.21 0.00 0.41 0.02 0.00 0.00 175.26 174.51 2k1m n GLY 60 N 4.16 1.78 0.47 -1.39 0.00 -1.26 -2.78 105.19 106.18 2k1m n GLY 60 Ca 0.12 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 1.96 -4.93 2.61 -2.24 -1.26 -4.56 114.28 105.86 2k1m n THR 61 Ca 0.00 -1.94 -0.28 0.00 -2.27 0.00 0.00 64.05 59.55 2k1m n THR 61 Cb 0.00 -0.16 -0.15 0.00 -2.10 0.00 0.00 70.33 67.92 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 -2.63 1.72 -0.08 -0.78 3.00 -1.12 -1.01 118.95 118.05 2k1m s ARG 62 Ca 0.34 -0.96 0.01 0.00 0.00 0.00 0.00 55.73 55.12 2k1m s ARG 62 Cb 0.28 -1.79 0.02 0.00 0.00 0.00 0.00 34.95 33.46 2k1m s ARG 62 CO 0.06 0.47 -0.08 -1.01 0.00 0.00 0.00 175.30 174.74 2k1m s HIS 63 N -0.70 1.32 -0.24 -0.53 3.76 0.10 -1.32 115.29 117.68 2k1m s HIS 63 Ca 0.10 -0.56 -0.01 0.00 -0.15 0.00 0.00 55.06 54.44 2k1m s HIS 63 Cb -0.09 -1.07 0.03 0.00 1.11 0.00 0.00 32.58 32.56 2k1m s HIS 63 CO 0.01 -0.38 -0.08 0.99 -0.85 0.00 0.00 174.74 174.43 2k1m s THR 64 N 1.26 2.68 -0.44 1.30 2.01 0.87 -0.22 115.64 123.10 2k1m s THR 64 Ca -0.04 -1.09 -0.16 0.00 0.31 0.00 0.00 61.69 60.71 2k1m s THR 64 Cb -0.14 -2.36 0.04 0.00 0.01 0.00 0.00 72.50 70.05 2k1m s THR 64 CO -0.03 0.21 0.40 -0.22 -0.69 0.00 0.00 174.62 174.29 2k1m s LEU 65 N 1.29 5.19 -0.21 4.42 2.96 -0.43 -0.14 118.68 131.76 2k1m s LEU 65 Ca -0.00 -0.97 -0.11 0.00 -0.22 0.00 0.00 54.13 52.82 2k1m s LEU 65 Cb -0.17 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.22 2k1m s LEU 65 CO -0.06 -0.59 0.19 -0.89 -1.32 0.00 0.00 176.35 173.68 2k1m s THR 66 N 1.89 5.35 -0.09 3.68 2.01 0.82 -1.56 115.64 127.74 2k1m s THR 66 Ca 0.08 0.28 -0.03 0.00 0.31 0.00 0.00 61.69 62.32 2k1m s THR 66 Cb -0.20 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 68.82 2k1m s THR 66 CO 0.10 0.37 0.09 0.54 -0.69 0.00 0.00 174.62 175.03 2k1m s VAL 67 N 0.78 -0.14 -0.14 3.82 0.11 -0.18 -0.21 120.40 124.45 2k1m s VAL 67 Ca 0.10 0.24 0.21 0.00 -2.93 0.00 0.00 61.98 59.60 2k1m s VAL 67 Cb -0.13 -0.30 -0.17 0.00 -1.53 0.00 0.00 36.38 34.24 2k1m s VAL 67 CO 0.03 0.04 0.70 0.54 -3.33 0.00 0.00 175.10 173.07 2k1m n ARG 68 N 5.30 0.64 0.10 1.54 1.74 -1.26 -1.57 116.66 123.14 2k1m n ARG 68 Ca -0.04 0.02 0.09 0.00 -0.77 0.00 0.00 57.85 57.14 2k1m n ARG 68 Cb 0.50 -1.69 0.40 0.00 -1.02 0.00 0.00 32.46 30.65 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 -2.59 0.11 -1.52 5.56 2.13 -1.26 -4.45 120.64 118.61 2k1m n GLU 69 Ca -0.07 0.48 -0.44 0.00 0.66 0.00 0.00 57.16 57.79 2k1m n GLU 69 Cb 0.68 -1.77 -0.01 0.00 0.27 0.00 0.00 31.44 30.61 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 -1.98 1.98 -3.03 6.31 3.14 -1.26 -4.75 118.33 118.74 2k1m n VAL 70 Ca 0.01 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 2k1m n VAL 70 Cb 0.11 -0.73 0.00 0.00 -1.06 0.00 0.00 33.84 32.17 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 1.49 1.39 0.15 7.55 0.00 -1.26 -1.65 105.19 112.87 2k1m n GLY 71 Ca 0.11 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.37 132.00 130.46 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 -0.69 0.00 -0.23 0.00 0.00 178.00 177.08 2k1m n ALA 73 N -1.82 3.67 0.01 -0.56 0.00 -1.26 -4.04 120.51 116.50 2k1m n ALA 73 Ca 0.02 -0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.13 2k1m n ALA 73 Cb 0.23 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.63 2.02 -4.49 0.00 8.00 -0.88 -4.95 116.55 114.61 2k1m n ASP 74 Ca 0.04 -0.02 -0.43 0.00 0.71 0.00 0.00 54.79 55.10 2k1m n ASP 74 Cb 0.36 1.58 -0.08 0.00 -0.02 0.00 0.00 41.12 42.95 2k1m n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k1m n GLN 75 N -1.93 0.69 0.00 -1.24 10.64 -0.57 -4.53 117.38 120.43 2k1m n GLN 75 Ca -0.02 0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 2k1m n GLN 75 Cb 0.33 -2.47 0.00 0.00 -0.86 0.00 0.00 30.24 27.25 2k1m n GLN 75 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k1m n GLY 76 N 6.37 0.72 3.17 2.61 0.00 -1.22 -5.04 105.19 111.81 2k1m n GLY 76 Ca 0.48 0.42 -0.19 0.00 0.00 0.00 0.00 46.02 46.73 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 2.00 1.71 -0.08 1.61 1.04 -1.26 -3.52 113.70 115.20 2k1m s SER 77 Ca 0.00 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 55.86 2k1m s SER 77 Cb 0.00 -0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.06 2k1m s SER 77 CO 0.00 -0.07 -0.21 -0.31 0.98 0.00 0.00 173.24 173.63 2k1m s TYR 78 N -1.25 2.23 -0.07 5.02 1.51 0.14 -3.50 117.35 121.43 2k1m s TYR 78 Ca -0.02 -0.82 0.04 0.00 -1.01 0.00 0.00 57.07 55.26 2k1m s TYR 78 Cb -0.10 -1.50 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 2k1m s TYR 78 CO 0.02 -0.32 -0.17 0.00 -1.11 0.00 0.00 175.55 173.97 2k1m s ALA 79 N 0.24 2.50 -0.14 3.71 0.00 -0.15 -0.55 121.76 127.38 2k1m s ALA 79 Ca -0.13 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 2k1m s ALA 79 Cb -0.16 -0.93 0.07 0.00 0.00 0.00 0.00 23.12 22.10 2k1m s ALA 79 CO 0.06 0.44 0.26 0.54 0.00 0.00 0.00 175.76 177.07 2k1m s VAL 80 N -0.31 -0.41 0.14 0.00 0.11 0.01 -0.07 120.40 119.86 2k1m s VAL 80 Ca 0.02 0.25 0.07 0.00 -2.93 0.00 0.00 61.98 59.39 2k1m s VAL 80 Cb -0.13 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2k1m s VAL 80 CO 0.03 0.09 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.20 2k1m s ILE 81 N 2.42 3.49 -0.24 7.04 1.01 -0.04 -1.50 121.20 133.38 2k1m s ILE 81 Ca 0.02 -1.37 -0.03 0.00 0.00 0.00 0.00 60.65 59.27 2k1m s ILE 81 Cb -0.12 -2.69 0.12 0.00 0.01 0.00 0.00 42.46 39.78 2k1m s ILE 81 CO -0.09 0.00 0.32 0.00 0.00 0.00 0.00 174.94 175.17 2k1m s ALA 82 N -1.47 -0.75 0.00 9.38 0.00 -0.54 0.04 121.76 128.41 2k1m s ALA 82 Ca 0.24 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2k1m s ALA 82 Cb -0.10 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2k1m s ALA 82 CO 0.16 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 175.02 2k1m n GLY 83 N 5.34 1.14 0.01 0.00 0.00 -1.26 -2.37 105.19 108.05 2k1m n GLY 83 Ca -0.04 0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 6.75 4.27 -4.79 1.61 7.64 -1.26 -5.03 113.62 122.80 2k1m n SER 84 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 2k1m n SER 84 Cb 0.00 0.69 -0.06 0.00 -1.01 0.00 0.00 64.21 63.83 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 -3.16 7.15 -0.08 6.43 0.15 -1.00 -5.06 113.70 118.12 2k1m s SER 85 Ca -0.01 1.82 -0.00 0.00 0.70 0.00 0.00 55.95 58.45 2k1m s SER 85 Cb 0.01 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.78 2k1m s SER 85 CO 0.12 -0.21 -0.04 -0.75 1.20 0.00 0.00 173.24 173.56 2k1m s LYS 86 N -2.45 1.05 0.07 5.44 2.20 -1.26 -1.46 119.74 123.33 2k1m s LYS 86 Ca 0.55 -0.10 0.05 0.00 -0.36 0.00 0.00 55.97 56.10 2k1m s LYS 86 Cb -0.16 -1.18 -0.03 0.00 -1.51 0.00 0.00 37.83 34.95 2k1m s LYS 86 CO 0.21 -0.21 -0.14 0.14 -0.36 0.00 0.00 175.35 174.99 2k1m s VAL 87 N 1.54 1.07 0.01 4.02 -7.23 -0.56 -5.02 120.40 114.23 2k1m s VAL 87 Ca -0.00 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 2k1m s VAL 87 Cb -0.13 -1.07 -0.01 0.00 0.56 0.00 0.00 36.38 35.73 2k1m s VAL 87 CO -0.04 -0.26 -0.03 -1.59 -0.31 0.00 0.00 175.10 172.86 2k1m s LYS 88 N -1.81 0.28 0.18 4.82 0.00 -1.26 -0.81 119.74 121.13 2k1m s LYS 88 Ca -0.02 -0.31 0.07 0.00 0.00 0.00 0.00 55.97 55.72 2k1m s LYS 88 Cb -0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 37.83 37.54 2k1m s LYS 88 CO 0.02 0.03 -0.14 -0.59 0.00 0.00 0.00 175.35 174.67 2k1m s PHE 89 N -0.56 1.62 -0.11 1.78 -0.71 0.29 -4.97 117.98 115.32 2k1m s PHE 89 Ca -0.04 -0.59 -0.11 0.00 -1.04 0.00 0.00 56.93 55.15 2k1m s PHE 89 Cb -0.04 -0.78 -0.05 0.00 -1.21 0.00 0.00 43.02 40.94 2k1m s PHE 89 CO -0.00 0.29 0.24 -0.51 -1.34 0.00 0.00 175.22 173.90 2k1m s ASP 90 N -3.12 6.48 -0.37 1.98 1.01 -1.26 0.26 116.67 121.65 2k1m s ASP 90 Ca 0.19 0.57 -0.08 0.00 0.71 0.00 0.00 52.55 53.94 2k1m s ASP 90 Cb -0.01 -2.14 0.05 0.00 1.01 0.00 0.00 42.92 41.82 2k1m s ASP 90 CO 0.05 0.28 0.18 -0.22 0.21 0.00 0.00 175.17 175.67 2k1m s LEU 91 N -0.48 4.69 0.48 1.23 1.98 -1.23 -3.39 118.68 121.97 2k1m s LEU 91 Ca 0.17 -1.23 -0.09 0.00 -2.89 0.00 0.00 54.13 50.08 2k1m s LEU 91 Cb -0.13 -1.94 -0.05 0.00 0.66 0.00 0.00 46.19 44.73 2k1m s LEU 91 CO 0.05 -0.41 0.85 -0.54 -1.89 0.00 0.00 176.35 174.41 2k1m s LYS 92 N 1.44 3.68 -0.09 1.98 1.02 -0.00 -3.42 119.74 124.35 2k1m s LYS 92 Ca 0.01 0.48 0.02 0.00 0.02 0.00 0.00 55.97 56.49 2k1m s LYS 92 Cb -0.20 -2.30 0.01 0.00 -0.52 0.00 0.00 37.83 34.82 2k1m s LYS 92 CO 0.03 -0.22 -0.14 0.54 -0.92 0.00 0.00 175.35 174.64 2k1m s VAL 93 N -2.69 1.36 0.39 3.17 0.11 -1.26 -2.08 120.40 119.40 2k1m s VAL 93 Ca 0.51 -0.58 -0.17 0.00 -2.93 0.00 0.00 61.98 58.81 2k1m s VAL 93 Cb -0.10 -1.25 -0.09 0.00 -1.53 0.00 0.00 36.38 33.40 2k1m s VAL 93 CO 0.41 0.41 0.84 -0.63 -3.33 0.00 0.00 175.10 172.80 2k1m s ILE 94 N 0.89 4.56 -2.86 7.04 1.01 -0.36 -4.84 121.20 126.63 2k1m s ILE 94 Ca -0.09 1.15 0.25 0.00 0.00 0.00 0.00 60.65 61.96 2k1m s ILE 94 Cb -0.15 -3.62 0.29 0.00 0.01 0.00 0.00 42.46 38.98 2k1m s ILE 94 CO 0.01 -0.31 1.39 -0.62 0.00 0.00 0.00 174.94 175.41