#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 1.86 1.08 0.54 2.02 -1.26 -5.14 118.70 117.80 2k1m s GLU 2 Ca 0.00 -1.69 -0.15 0.00 0.02 0.00 0.00 54.97 53.15 2k1m s GLU 2 Cb 0.00 -1.87 0.23 0.00 0.10 0.00 0.00 34.13 32.59 2k1m s GLU 2 CO 0.00 0.32 1.10 -1.25 0.02 0.00 0.00 175.26 175.45 2k1m s PRO 3 N -3.57 -0.27 0.13 0.39 0.04 -1.26 -4.98 135.00 125.48 2k1m s PRO 3 Ca 0.31 0.28 -0.04 0.00 0.04 0.00 0.00 61.00 61.58 2k1m s PRO 3 Cb -0.05 -1.68 -0.09 0.00 0.04 0.00 0.00 34.50 32.73 2k1m s PRO 3 CO 0.16 -3.15 1.31 0.78 0.04 0.00 0.00 177.00 176.15 2k1m h GLY 4 N -2.19 0.47 -5.11 0.56 0.00 -2.09 -3.44 103.07 91.28 2k1m h GLY 4 Ca -0.51 -0.80 -0.57 0.00 0.00 0.00 0.00 47.33 45.45 2k1m h GLY 4 CO 0.49 0.71 -0.02 0.54 0.00 0.00 0.00 176.54 178.26 2k1m s LYS 5 N -3.30 4.35 0.70 4.80 3.01 -1.26 -5.07 119.74 122.97 2k1m s LYS 5 Ca -0.06 0.69 -0.11 0.00 -1.01 0.00 0.00 55.97 55.49 2k1m s LYS 5 Cb 0.09 -3.40 0.01 0.00 -1.01 0.00 0.00 37.83 33.52 2k1m s LYS 5 CO 0.87 0.23 1.06 0.15 0.51 0.00 0.00 175.35 178.17 2k1m s LYS 6 N 0.30 2.90 0.48 1.68 1.02 -1.26 -5.02 119.74 119.84 2k1m s LYS 6 Ca 0.31 0.88 -0.22 0.00 0.02 0.00 0.00 55.97 56.96 2k1m s LYS 6 Cb -0.17 -1.99 -0.07 0.00 -0.52 0.00 0.00 37.83 35.08 2k1m s LYS 6 CO 0.16 -1.10 1.15 -1.25 -0.92 0.00 0.00 175.35 173.39 2k1m s PRO 7 N -5.08 3.65 -0.48 -1.68 0.04 -1.26 -4.88 135.00 125.31 2k1m s PRO 7 Ca 0.58 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 63.04 2k1m s PRO 7 Cb -0.14 -2.30 -0.11 0.00 0.04 0.00 0.00 34.50 31.99 2k1m s PRO 7 CO 0.55 -0.63 2.34 0.28 0.04 0.00 0.00 177.00 179.58 2k1m n VAL 8 N -0.70 0.09 -4.22 -0.36 0.31 -1.26 -4.92 118.33 107.28 2k1m n VAL 8 Ca 0.08 -0.39 -0.28 0.00 -0.01 0.00 0.00 64.34 63.74 2k1m n VAL 8 Cb 0.49 -1.88 -0.05 0.00 -0.91 0.00 0.00 33.84 31.49 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 9.10 4.42 -0.20 4.52 0.15 -1.26 -5.05 113.70 125.38 2k1m s SER 9 Ca 1.10 -1.33 0.14 0.00 0.70 0.00 0.00 55.95 56.56 2k1m s SER 9 Cb -0.68 0.21 0.43 0.00 -1.71 0.00 0.00 66.02 64.27 2k1m s SER 9 CO 0.41 -0.88 1.31 0.00 1.20 0.00 0.00 173.24 175.28 2k1m n ALA 10 N -1.47 3.29 -3.49 5.45 0.00 -1.26 -4.74 120.51 118.28 2k1m n ALA 10 Ca -0.07 -2.86 -0.29 0.00 0.00 0.00 0.00 53.44 50.22 2k1m n ALA 10 Cb 0.65 -0.54 -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 -3.06 0.91 0.30 0.00 0.40 -1.26 -1.46 117.98 113.82 2k1m s PHE 11 Ca 0.39 -1.77 0.06 0.00 -0.60 0.00 0.00 56.93 55.01 2k1m s PHE 11 Cb 0.35 -1.05 0.75 0.00 0.51 0.00 0.00 43.02 43.57 2k1m s PHE 11 CO 0.01 -0.82 1.77 1.03 0.70 0.00 0.00 175.22 177.91 2k1m h SER 12 N 6.91 0.77 -3.03 1.36 0.87 -1.30 -3.37 113.55 115.76 2k1m h SER 12 Ca 0.06 0.10 -0.48 0.00 -1.23 0.00 0.00 61.79 60.24 2k1m h SER 12 Cb 0.96 -0.04 -0.41 0.00 -0.44 0.00 0.00 62.40 62.48 2k1m h SER 12 CO 0.30 0.26 -0.76 -0.75 -0.53 0.00 0.00 176.83 175.35 2k1m s LYS 13 N -5.85 0.14 0.31 2.24 2.20 -0.52 -4.97 119.74 113.30 2k1m s LYS 13 Ca -0.11 -0.20 -0.28 0.00 -0.36 0.00 0.00 55.97 55.02 2k1m s LYS 13 Cb 0.25 -1.75 -0.10 0.00 -1.51 0.00 0.00 37.83 34.73 2k1m s LYS 13 CO 0.80 -0.73 1.16 0.21 -0.36 0.00 0.00 175.35 176.43 2k1m s LYS 14 N 2.10 4.47 -1.02 4.03 2.20 -1.26 -0.03 119.74 130.23 2k1m s LYS 14 Ca 0.03 1.90 -0.24 0.00 -0.36 0.00 0.00 55.97 57.30 2k1m s LYS 14 Cb -0.16 -3.06 -0.06 0.00 -1.51 0.00 0.00 37.83 33.04 2k1m s LYS 14 CO -0.14 0.02 1.94 -1.25 -0.36 0.00 0.00 175.35 175.57 2k1m s PRO 15 N -1.70 2.54 0.43 4.03 0.04 -1.23 -4.87 135.00 134.24 2k1m s PRO 15 Ca 0.48 -0.67 -0.24 0.00 0.04 0.00 0.00 61.00 60.61 2k1m s PRO 15 Cb -0.33 -5.14 -0.10 0.00 0.04 0.00 0.00 34.50 28.96 2k1m s PRO 15 CO 0.43 -3.63 1.01 0.54 0.04 0.00 0.00 177.00 175.39 2k1m n ARG 16 N 8.61 1.34 -1.41 4.56 1.74 -1.26 -4.64 116.66 125.60 2k1m n ARG 16 Ca 0.42 0.48 -0.35 0.00 -0.77 0.00 0.00 57.85 57.64 2k1m n ARG 16 Cb 0.47 -2.06 0.10 0.00 -1.02 0.00 0.00 32.46 29.94 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 -0.77 4.08 0.29 0.55 1.04 -1.26 -4.89 113.70 112.75 2k1m s SER 17 Ca 0.64 2.45 0.05 0.00 0.48 0.00 0.00 55.95 59.57 2k1m s SER 17 Cb -0.54 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 62.96 2k1m s SER 17 CO 0.56 -2.34 0.20 1.33 0.98 0.00 0.00 173.24 173.97 2k1m n VAL 18 N -2.68 0.00 -3.85 5.02 0.24 -1.24 -5.03 118.33 110.79 2k1m n VAL 18 Ca 0.14 -1.99 -0.12 0.00 -2.04 0.00 0.00 64.34 60.33 2k1m n VAL 18 Cb 0.50 0.91 -0.14 0.00 -1.47 0.00 0.00 33.84 33.64 2k1m n VAL 18 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2k1m s GLU 19 N -3.16 0.04 -0.04 7.34 -1.05 -1.26 -2.12 118.70 118.44 2k1m s GLU 19 Ca 0.28 0.07 -0.16 0.00 -0.15 0.00 0.00 54.97 55.01 2k1m s GLU 19 Cb 0.01 -0.01 0.03 0.00 -0.44 0.00 0.00 34.13 33.72 2k1m s GLU 19 CO 0.20 -0.03 0.36 0.14 0.95 0.00 0.00 175.26 176.89 2k1m s VAL 20 N 0.16 0.04 0.48 1.83 -7.23 -0.95 -4.96 120.40 109.76 2k1m s VAL 20 Ca -0.01 -0.33 -0.20 0.00 -1.81 0.00 0.00 61.98 59.63 2k1m s VAL 20 Cb -0.02 -0.64 -0.09 0.00 0.56 0.00 0.00 36.38 36.19 2k1m s VAL 20 CO -0.00 -0.18 1.01 0.00 -0.31 0.00 0.00 175.10 175.61 2k1m s ALA 21 N -1.00 2.93 -0.29 1.32 0.00 -1.26 -1.31 121.76 122.15 2k1m s ALA 21 Ca -0.11 0.50 -0.38 0.00 0.00 0.00 0.00 51.96 51.98 2k1m s ALA 21 Cb -0.04 -3.21 -0.14 0.00 0.00 0.00 0.00 23.12 19.73 2k1m s ALA 21 CO 0.04 -0.21 1.95 0.00 0.00 0.00 0.00 175.76 177.54 2k1m n ALA 22 N -0.98 0.45 0.00 0.00 0.00 -1.19 -0.33 120.51 118.47 2k1m n ALA 22 Ca 0.08 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2k1m n ALA 22 Cb 0.53 -2.38 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 5.23 3.02 3.71 0.00 0.00 -0.61 -4.96 105.19 111.59 2k1m n GLY 23 Ca 0.33 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 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 0.68 1.97 -4.75 1.61 7.64 0.55 -4.79 113.62 116.53 2k1m n SER 24 Ca 0.00 0.85 -0.41 0.00 1.01 0.00 0.00 58.87 60.32 2k1m n SER 24 Cb 0.00 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 61.64 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 -3.17 4.42 -0.05 1.43 0.04 -1.26 -4.62 135.00 131.79 2k1m s PRO 25 Ca 0.79 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.89 2k1m s PRO 25 Cb -0.39 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.01 2k1m s PRO 25 CO 0.43 -0.15 -0.02 0.00 0.04 0.00 0.00 177.00 177.30 2k1m s ALA 26 N -0.45 0.64 0.02 8.56 0.00 -0.60 -4.96 121.76 124.97 2k1m s ALA 26 Ca 0.52 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.48 2k1m s ALA 26 Cb -0.37 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 2k1m s ALA 26 CO 0.43 -0.21 -0.16 0.54 0.00 0.00 0.00 175.76 176.36 2k1m s VAL 27 N 1.36 1.24 0.10 0.00 0.11 -1.26 -0.35 120.40 121.61 2k1m s VAL 27 Ca -0.04 -0.88 0.09 0.00 -2.93 0.00 0.00 61.98 58.22 2k1m s VAL 27 Cb -0.13 -1.08 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 2k1m s VAL 27 CO -0.02 0.19 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.36 2k1m s PHE 28 N -0.62 2.46 -0.23 1.54 0.40 -0.42 -4.95 117.98 116.15 2k1m s PHE 28 Ca 0.04 -0.31 -0.01 0.00 -0.60 0.00 0.00 56.93 56.06 2k1m s PHE 28 Cb -0.07 -1.34 0.02 0.00 0.51 0.00 0.00 43.02 42.14 2k1m s PHE 28 CO 0.01 0.33 -0.10 -1.21 0.70 0.00 0.00 175.22 174.95 2k1m s GLU 29 N -1.94 2.92 -0.15 0.44 2.02 -1.26 -1.20 118.70 119.53 2k1m s GLU 29 Ca 0.16 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.24 2k1m s GLU 29 Cb -0.10 -2.87 0.03 0.00 0.10 0.00 0.00 34.13 31.29 2k1m s GLU 29 CO 0.08 -0.33 -0.10 0.00 0.02 0.00 0.00 175.26 174.92 2k1m s ALA 30 N 1.32 1.66 -0.14 5.21 0.00 0.81 -3.58 121.76 127.04 2k1m s ALA 30 Ca 0.02 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 2k1m s ALA 30 Cb -0.15 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2k1m s ALA 30 CO -0.07 -0.49 0.02 -2.00 0.00 0.00 0.00 175.76 173.22 2k1m s GLU 31 N 1.57 3.53 0.32 0.00 2.12 0.96 -0.01 118.70 127.19 2k1m s GLU 31 Ca 0.04 -0.40 -0.03 0.00 0.36 0.00 0.00 54.97 54.94 2k1m s GLU 31 Cb -0.13 -2.99 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 2k1m s GLU 31 CO -0.09 0.44 0.56 0.95 -0.54 0.00 0.00 175.26 176.58 2k1m s THR 32 N -0.14 5.05 -0.99 -1.70 -4.23 0.86 -1.35 115.64 113.14 2k1m s THR 32 Ca 0.05 -0.13 0.26 0.00 -1.18 0.00 0.00 61.69 60.70 2k1m s THR 32 Cb -0.12 -3.79 0.10 0.00 1.34 0.00 0.00 72.50 70.03 2k1m s THR 32 CO 0.02 -0.43 1.61 1.21 -0.54 0.00 0.00 174.62 176.48 2k1m n GLU 33 N -1.30 0.01 -4.11 3.99 2.13 -0.53 -3.75 120.64 117.07 2k1m n GLU 33 Ca -0.03 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.64 2k1m n GLU 33 Cb 0.55 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.61 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 -3.00 0.36 0.55 5.31 3.52 -1.26 -4.91 118.95 119.52 2k1m s ARG 34 Ca 0.12 -0.16 -0.02 0.00 -0.13 0.00 0.00 55.73 55.54 2k1m s ARG 34 Cb 0.18 -0.34 0.02 0.00 -1.56 0.00 0.00 34.95 33.24 2k1m s ARG 34 CO 0.64 0.09 0.81 0.00 -0.81 0.00 0.00 175.30 176.03 2k1m s ALA 35 N -0.12 3.58 0.00 6.12 0.00 -1.26 -4.36 121.76 125.72 2k1m s ALA 35 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2k1m s ALA 35 Cb -0.02 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.78 2k1m s ALA 35 CO -0.00 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2k1m n GLY 36 N -2.41 2.23 3.76 0.00 0.00 -1.26 -5.01 105.19 102.50 2k1m n GLY 36 Ca 0.05 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.43 2.69 -0.40 1.61 -7.23 -1.26 -4.99 120.40 110.38 2k1m s VAL 37 Ca 0.00 0.48 -0.15 0.00 -1.81 0.00 0.00 61.98 60.50 2k1m s VAL 37 Cb 0.00 -3.22 0.02 0.00 0.56 0.00 0.00 36.38 33.73 2k1m s VAL 37 CO 0.00 -0.04 0.29 -0.75 -0.31 0.00 0.00 175.10 174.29 2k1m s LYS 38 N -3.01 3.02 -0.31 4.82 2.20 -1.26 -4.96 119.74 120.24 2k1m s LYS 38 Ca 0.71 -0.98 -0.29 0.00 -0.36 0.00 0.00 55.97 55.05 2k1m s LYS 38 Cb -0.32 -3.96 -0.02 0.00 -1.51 0.00 0.00 37.83 32.03 2k1m s LYS 38 CO 0.37 -0.72 1.67 0.08 -0.36 0.00 0.00 175.35 176.39 2k1m s VAL 39 N 1.68 3.62 0.05 4.02 1.01 -1.26 -4.43 120.40 125.09 2k1m s VAL 39 Ca 0.05 0.65 -0.23 0.00 0.00 0.00 0.00 61.98 62.46 2k1m s VAL 39 Cb -0.19 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 2k1m s VAL 39 CO 0.10 -0.43 0.68 -0.60 0.00 0.00 0.00 175.10 174.84 2k1m s ARG 40 N 5.21 4.40 -0.13 2.72 3.52 0.10 -4.94 118.95 129.83 2k1m s ARG 40 Ca 0.74 0.91 0.01 0.00 -0.13 0.00 0.00 55.73 57.26 2k1m s ARG 40 Cb -0.22 -3.32 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 2k1m s ARG 40 CO 0.32 0.42 -0.16 -1.58 -0.81 0.00 0.00 175.30 173.49 2k1m s TRP 41 N -0.46 2.75 -0.00 5.12 0.52 -1.26 -0.93 118.94 124.68 2k1m s TRP 41 Ca 0.34 -0.78 0.03 0.00 0.02 0.00 0.00 56.10 55.71 2k1m s TRP 41 Cb -0.20 -1.82 -0.01 0.00 -1.15 0.00 0.00 33.47 30.29 2k1m s TRP 41 CO 0.21 -0.29 -0.10 -0.65 0.02 0.00 0.00 176.95 176.14 2k1m s GLN 42 N 0.40 0.79 -0.50 4.98 -0.21 0.88 -0.06 119.66 125.94 2k1m s GLN 42 Ca -0.12 -0.41 -0.03 0.00 0.02 0.00 0.00 55.36 54.82 2k1m s GLN 42 Cb -0.16 -0.76 0.13 0.00 1.00 0.00 0.00 33.01 33.22 2k1m s GLN 42 CO 0.06 0.20 0.31 0.50 -2.12 0.00 0.00 175.29 174.24 2k1m s ARG 43 N -0.38 2.26 3.21 2.91 3.00 0.84 -0.96 118.95 129.82 2k1m s ARG 43 Ca 0.03 -2.13 0.00 0.00 -1.00 0.00 0.00 55.73 52.63 2k1m s ARG 43 Cb -0.04 -3.66 0.00 0.00 0.00 0.00 0.00 34.95 31.25 2k1m s ARG 43 CO -0.00 -1.12 0.00 0.41 0.00 0.00 0.00 175.30 174.59 2k1m n GLY 44 N 4.13 0.43 0.92 8.12 0.00 -1.18 -0.10 105.19 117.50 2k1m n GLY 44 Ca 0.02 0.68 0.08 0.00 0.00 0.00 0.00 46.02 46.80 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 4.05 2.70 -0.02 0.00 -1.26 -4.91 105.19 105.75 2k1m n GLY 45 Ca 0.00 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.93 2.17 0.44 1.61 0.01 0.85 -5.13 113.70 111.72 2k1m s SER 46 Ca 0.43 -0.45 -0.25 0.00 1.31 0.00 0.00 55.95 56.98 2k1m s SER 46 Cb 0.35 -0.39 -0.08 0.00 0.21 0.00 0.00 66.02 66.11 2k1m s SER 46 CO 0.09 -0.28 1.38 1.51 0.41 0.00 0.00 173.24 176.35 2k1m s ASP 47 N 2.01 5.97 0.06 2.44 1.47 -1.26 -0.11 116.67 127.25 2k1m s ASP 47 Ca 0.02 2.83 0.03 0.00 1.18 0.00 0.00 52.55 56.61 2k1m s ASP 47 Cb -0.15 -2.65 -0.04 0.00 -0.34 0.00 0.00 42.92 39.74 2k1m s ASP 47 CO -0.07 -1.10 0.03 -0.63 0.68 0.00 0.00 175.17 174.08 2k1m s ILE 48 N -1.23 4.27 -0.21 2.11 1.01 0.92 -4.77 121.20 123.30 2k1m s ILE 48 Ca 0.60 -0.79 -0.27 0.00 0.00 0.00 0.00 60.65 60.20 2k1m s ILE 48 Cb -0.42 -3.01 0.07 0.00 0.01 0.00 0.00 42.46 39.12 2k1m s ILE 48 CO 0.53 0.19 0.73 -0.44 0.00 0.00 0.00 174.94 175.96 2k1m s SER 49 N -2.14 -0.70 -0.62 3.58 0.01 -1.26 -4.33 113.70 108.24 2k1m s SER 49 Ca 0.25 1.21 -0.30 0.00 1.31 0.00 0.00 55.95 58.43 2k1m s SER 49 Cb -0.12 1.17 -0.13 0.00 0.21 0.00 0.00 66.02 67.16 2k1m s SER 49 CO 0.18 -0.34 2.46 0.00 0.41 0.00 0.00 173.24 175.94 2k1m n ALA 50 N 2.16 0.71 -3.52 1.44 0.00 -1.26 -4.65 120.51 115.39 2k1m n ALA 50 Ca -0.15 -0.54 0.06 0.00 0.00 0.00 0.00 53.44 52.81 2k1m n ALA 50 Cb 0.56 -2.78 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 -1.13 0.00 0.00 0.00 177.50 176.37 2k1m n SER 51 N 12.91 -0.94 -4.57 0.00 3.41 -1.26 -4.92 113.62 118.25 2k1m n SER 51 Ca 0.47 -1.45 -0.42 0.00 -0.26 0.00 0.00 58.87 57.20 2k1m n SER 51 Cb 0.32 1.52 0.01 0.00 -0.26 0.00 0.00 64.21 65.80 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 -0.93 0.78 0.00 4.04 5.15 -1.26 -0.63 115.26 122.41 2k1m n ASN 52 Ca -0.01 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 55.01 2k1m n ASN 52 Cb 0.33 -1.29 0.00 0.00 -0.53 0.00 0.00 39.78 38.30 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 0.32 -0.27 -3.92 1.20 4.81 -1.26 -4.92 118.16 114.12 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 -3.45 -0.01 0.00 0.02 0.00 0.00 35.03 31.97 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 -2.22 -1.75 -3.64 5.64 4.01 0.20 -4.22 117.16 115.18 2k1m n TYR 54 Ca 0.00 -2.21 -0.07 0.00 -0.16 0.00 0.00 57.90 55.47 2k1m n TYR 54 Cb 0.07 0.67 -0.07 0.00 -0.31 0.00 0.00 39.34 39.70 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 -3.15 -0.26 -0.05 2.72 0.00 -0.09 -4.12 107.32 102.36 2k1m s GLY 55 Ca 0.25 2.72 -0.02 0.00 0.00 0.00 0.00 44.72 47.68 2k1m s GLY 55 CO 0.18 2.26 0.03 1.08 0.00 0.00 0.00 173.10 176.66 2k1m s LEU 56 N 1.03 0.38 -0.30 0.66 1.43 -1.26 -0.09 118.68 120.53 2k1m s LEU 56 Ca -0.05 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 2k1m s LEU 56 Cb -0.04 -0.25 0.07 0.00 0.03 0.00 0.00 46.19 45.99 2k1m s LEU 56 CO -0.12 -0.22 -0.03 0.00 0.23 0.00 0.00 176.35 176.21 2k1m s ALA 57 N 2.01 2.74 -0.20 4.21 0.00 0.52 -4.86 121.76 126.17 2k1m s ALA 57 Ca 0.04 -1.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.02 2k1m s ALA 57 Cb -0.12 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 2k1m s ALA 57 CO -0.04 -1.33 -0.00 -0.08 0.00 0.00 0.00 175.76 174.31 2k1m s THR 58 N 1.13 3.97 -0.35 0.00 -1.32 -1.26 -1.45 115.64 116.35 2k1m s THR 58 Ca -0.04 -0.31 -0.00 0.00 -1.21 0.00 0.00 61.69 60.13 2k1m s THR 58 Cb -0.20 -2.79 0.14 0.00 -1.51 0.00 0.00 72.50 68.14 2k1m s THR 58 CO -0.04 0.43 0.21 -0.70 -2.21 0.00 0.00 174.62 172.31 2k1m s GLU 59 N 0.94 0.60 4.58 7.08 2.12 -0.44 -5.03 118.70 128.55 2k1m s GLU 59 Ca 0.01 -1.33 0.00 0.00 0.36 0.00 0.00 54.97 54.01 2k1m s GLU 59 Cb -0.14 -1.41 0.00 0.00 0.26 0.00 0.00 34.13 32.84 2k1m s GLU 59 CO 0.02 -1.19 0.00 0.41 -0.54 0.00 0.00 175.26 173.96 2k1m n GLY 60 N 4.10 1.77 0.25 -1.50 0.00 -1.26 -2.62 105.19 105.92 2k1m n GLY 60 Ca 0.10 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 0.97 -3.98 2.61 -2.24 -1.26 -4.35 114.28 106.02 2k1m n THR 61 Ca 0.00 -0.98 -0.34 0.00 -2.27 0.00 0.00 64.05 60.45 2k1m n THR 61 Cb 0.00 0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.98 3.12 0.09 -0.78 0.52 -1.08 -0.10 118.95 119.74 2k1m s ARG 62 Ca 0.09 -0.78 0.08 0.00 -0.52 0.00 0.00 55.73 54.60 2k1m s ARG 62 Cb 0.05 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 2k1m s ARG 62 CO 0.06 -0.26 -0.15 -1.01 0.02 0.00 0.00 175.30 173.96 2k1m s HIS 63 N 1.38 2.61 -0.08 -0.53 3.76 0.99 -1.32 115.29 122.11 2k1m s HIS 63 Ca 0.04 -0.22 -0.03 0.00 -0.15 0.00 0.00 55.06 54.69 2k1m s HIS 63 Cb -0.14 -1.41 0.04 0.00 1.11 0.00 0.00 32.58 32.18 2k1m s HIS 63 CO -0.06 0.36 0.17 0.99 -0.85 0.00 0.00 174.74 175.34 2k1m s THR 64 N -1.10 -0.08 -0.39 1.30 2.01 -0.53 -0.13 115.64 116.72 2k1m s THR 64 Ca 0.18 0.20 -0.06 0.00 0.31 0.00 0.00 61.69 62.32 2k1m s THR 64 Cb -0.11 -0.28 0.08 0.00 0.01 0.00 0.00 72.50 72.21 2k1m s THR 64 CO 0.10 0.08 0.19 -0.22 -0.69 0.00 0.00 174.62 174.08 2k1m s LEU 65 N 1.34 4.92 -0.44 4.42 2.96 -0.34 -0.36 118.68 131.19 2k1m s LEU 65 Ca -0.08 -1.61 -0.17 0.00 -0.22 0.00 0.00 54.13 52.06 2k1m s LEU 65 Cb -0.11 -1.88 0.04 0.00 0.50 0.00 0.00 46.19 44.73 2k1m s LEU 65 CO -0.06 -0.48 0.42 -0.89 -1.32 0.00 0.00 176.35 174.02 2k1m s THR 66 N 1.30 5.13 -0.20 3.68 2.01 0.87 -1.30 115.64 127.13 2k1m s THR 66 Ca 0.03 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.47 2k1m s THR 66 Cb -0.22 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.25 2k1m s THR 66 CO -0.00 -0.48 -0.17 0.54 -0.69 0.00 0.00 174.62 173.82 2k1m s VAL 67 N 2.00 2.03 -0.30 3.82 0.11 0.52 -0.91 120.40 127.66 2k1m s VAL 67 Ca 0.09 -1.09 0.22 0.00 -2.93 0.00 0.00 61.98 58.28 2k1m s VAL 67 Cb -0.19 -1.92 -0.15 0.00 -1.53 0.00 0.00 36.38 32.58 2k1m s VAL 67 CO 0.11 0.38 0.85 0.54 -3.33 0.00 0.00 175.10 173.65 2k1m n ARG 68 N 4.59 0.51 0.00 1.54 1.74 -1.26 -1.55 116.66 122.23 2k1m n ARG 68 Ca -0.19 -0.03 0.06 0.00 -0.77 0.00 0.00 57.85 56.93 2k1m n ARG 68 Cb 0.48 -1.65 0.28 0.00 -1.02 0.00 0.00 32.46 30.56 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 -2.29 0.01 -1.59 5.56 2.13 -1.26 -4.57 120.64 118.63 2k1m n GLU 69 Ca -0.01 0.27 -0.51 0.00 0.66 0.00 0.00 57.16 57.57 2k1m n GLU 69 Cb 0.52 -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 -1.49 0.23 -2.36 6.31 3.14 -1.26 -4.81 118.33 118.09 2k1m n VAL 70 Ca 0.03 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 2k1m n VAL 70 Cb 0.15 -0.83 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 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 2.40 4.67 0.24 7.55 0.00 -1.26 -1.57 105.19 117.22 2k1m n GLY 71 Ca 0.17 -1.13 0.16 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.43 132.00 129.39 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 -2.00 3.57 1.75 -0.56 0.00 -1.26 -3.76 120.51 118.25 2k1m n ALA 73 Ca 0.01 -0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.20 2k1m n ALA 73 Cb 0.28 -1.08 0.61 0.00 0.00 0.00 0.00 19.45 19.26 2k1m n ALA 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k1m n ASP 74 N -1.62 0.60 -3.24 0.00 2.03 -0.91 -4.46 116.55 108.94 2k1m n ASP 74 Ca 0.05 -1.39 -0.32 0.00 0.52 0.00 0.00 54.79 53.65 2k1m n ASP 74 Cb 0.36 -0.02 -0.03 0.00 -0.72 0.00 0.00 41.12 40.71 2k1m n ASP 74 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2k1m n GLN 75 N -0.45 3.08 0.00 -0.67 7.27 -1.25 -4.68 117.38 120.69 2k1m n GLN 75 Ca 0.18 -1.91 0.00 0.00 0.07 0.00 0.00 57.00 55.34 2k1m n GLN 75 Cb 0.18 -2.66 0.00 0.00 2.41 0.00 0.00 30.24 30.17 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 3.64 2.71 2.97 1.69 0.00 -1.26 -4.99 105.19 109.94 2k1m n GLY 76 Ca 0.66 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 46.26 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 1.62 -0.14 1.61 1.04 -1.26 -3.83 113.70 113.74 2k1m s SER 77 Ca 0.00 -0.25 -0.13 0.00 0.48 0.00 0.00 55.95 56.05 2k1m s SER 77 Cb 0.00 -0.73 -0.05 0.00 0.10 0.00 0.00 66.02 65.35 2k1m s SER 77 CO 0.00 -0.01 0.29 -0.31 0.98 0.00 0.00 173.24 174.19 2k1m s TYR 78 N 0.89 3.50 -0.05 5.02 1.51 0.11 -3.09 117.35 125.24 2k1m s TYR 78 Ca -0.11 0.63 0.05 0.00 -1.01 0.00 0.00 57.07 56.64 2k1m s TYR 78 Cb -0.15 -2.30 -0.02 0.00 -0.11 0.00 0.00 41.96 39.39 2k1m s TYR 78 CO 0.01 0.33 -0.22 0.00 -1.11 0.00 0.00 175.55 174.57 2k1m s ALA 79 N 0.15 2.33 -0.14 3.71 0.00 -0.13 -0.59 121.76 127.09 2k1m s ALA 79 Ca 0.17 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 2k1m s ALA 79 Cb -0.13 -0.76 0.07 0.00 0.00 0.00 0.00 23.12 22.29 2k1m s ALA 79 CO 0.05 0.47 0.30 0.54 0.00 0.00 0.00 175.76 177.11 2k1m s VAL 80 N -0.37 -0.38 0.15 0.00 0.11 -0.06 -0.09 120.40 119.75 2k1m s VAL 80 Ca 0.03 0.23 0.08 0.00 -2.93 0.00 0.00 61.98 59.39 2k1m s VAL 80 Cb -0.12 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2k1m s VAL 80 CO 0.02 0.10 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.16 2k1m s ILE 81 N 2.24 3.26 -0.25 7.04 1.01 -0.10 -1.46 121.20 132.93 2k1m s ILE 81 Ca -0.01 -1.49 -0.03 0.00 0.00 0.00 0.00 60.65 59.12 2k1m s ILE 81 Cb -0.12 -2.57 0.10 0.00 0.01 0.00 0.00 42.46 39.89 2k1m s ILE 81 CO -0.09 -0.01 0.19 0.00 0.00 0.00 0.00 174.94 175.03 2k1m s ALA 82 N -1.47 0.06 0.00 9.38 0.00 -0.49 0.03 121.76 129.26 2k1m s ALA 82 Ca 0.23 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2k1m s ALA 82 Cb -0.10 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.59 2k1m s ALA 82 CO 0.14 -1.48 0.00 0.41 0.00 0.00 0.00 175.76 174.83 2k1m n GLY 83 N 5.29 0.96 0.12 0.00 0.00 -1.26 -2.52 105.19 107.78 2k1m n GLY 83 Ca -0.05 0.45 -0.01 0.00 0.00 0.00 0.00 46.02 46.41 2k1m n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k1m n SER 84 N 3.88 3.46 -4.77 1.61 2.88 -1.26 -5.04 113.62 114.38 2k1m n SER 84 Ca 0.00 -0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2k1m n SER 84 Cb 0.00 -0.02 -0.00 0.00 -0.75 0.00 0.00 64.21 63.43 2k1m n SER 84 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2k1m s SER 85 N -4.24 6.15 -0.07 -3.46 0.15 -1.05 -5.04 113.70 106.14 2k1m s SER 85 Ca -0.02 2.41 0.01 0.00 0.70 0.00 0.00 55.95 59.05 2k1m s SER 85 Cb 0.00 -2.61 0.02 0.00 -1.71 0.00 0.00 66.02 61.72 2k1m s SER 85 CO 0.03 -0.94 -0.07 -0.75 1.20 0.00 0.00 173.24 172.71 2k1m s LYS 86 N -2.59 1.19 0.05 5.44 2.20 -1.26 -1.40 119.74 123.37 2k1m s LYS 86 Ca 0.62 -0.19 0.04 0.00 -0.36 0.00 0.00 55.97 56.08 2k1m s LYS 86 Cb -0.32 -1.18 -0.03 0.00 -1.51 0.00 0.00 37.83 34.80 2k1m s LYS 86 CO 0.39 -0.13 -0.11 0.14 -0.36 0.00 0.00 175.35 175.28 2k1m s VAL 87 N 1.19 0.80 0.01 4.02 -7.23 -0.53 -5.02 120.40 113.64 2k1m s VAL 87 Ca -0.06 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.99 2k1m s VAL 87 Cb -0.14 -0.81 -0.01 0.00 0.56 0.00 0.00 36.38 35.98 2k1m s VAL 87 CO -0.02 -0.27 -0.03 -1.59 -0.31 0.00 0.00 175.10 172.88 2k1m s LYS 88 N -1.56 0.25 0.14 4.82 0.00 -1.26 -0.88 119.74 121.25 2k1m s LYS 88 Ca -0.06 -0.28 0.07 0.00 0.00 0.00 0.00 55.97 55.70 2k1m s LYS 88 Cb -0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 37.83 37.56 2k1m s LYS 88 CO 0.01 0.03 -0.15 -0.59 0.00 0.00 0.00 175.35 174.65 2k1m s PHE 89 N -0.51 1.54 -0.11 1.78 -0.71 0.25 -4.97 117.98 115.24 2k1m s PHE 89 Ca -0.04 -0.54 -0.11 0.00 -1.04 0.00 0.00 56.93 55.20 2k1m s PHE 89 Cb -0.04 -0.79 -0.05 0.00 -1.21 0.00 0.00 43.02 40.94 2k1m s PHE 89 CO -0.00 0.21 0.25 -0.51 -1.34 0.00 0.00 175.22 173.82 2k1m s ASP 90 N -2.57 6.48 -0.40 1.98 1.01 -1.26 0.07 116.67 121.98 2k1m s ASP 90 Ca 0.12 0.57 -0.07 0.00 0.71 0.00 0.00 52.55 53.87 2k1m s ASP 90 Cb -0.05 -2.15 0.08 0.00 1.01 0.00 0.00 42.92 41.81 2k1m s ASP 90 CO 0.04 0.27 0.21 -0.22 0.21 0.00 0.00 175.17 175.69 2k1m s LEU 91 N -0.45 4.96 0.29 1.23 1.98 -1.25 -3.59 118.68 121.85 2k1m s LEU 91 Ca 0.17 -1.52 -0.18 0.00 -2.89 0.00 0.00 54.13 49.71 2k1m s LEU 91 Cb -0.13 -1.93 -0.09 0.00 0.66 0.00 0.00 46.19 44.70 2k1m s LEU 91 CO 0.05 -0.49 0.76 -0.54 -1.89 0.00 0.00 176.35 174.25 2k1m s LYS 92 N 1.37 4.18 -0.06 1.98 1.02 -0.90 -4.00 119.74 123.33 2k1m s LYS 92 Ca 0.03 0.85 0.04 0.00 0.02 0.00 0.00 55.97 56.90 2k1m s LYS 92 Cb -0.22 -2.64 -0.02 0.00 -0.52 0.00 0.00 37.83 34.43 2k1m s LYS 92 CO 0.01 0.26 -0.17 0.08 -0.92 0.00 0.00 175.35 174.61 2k1m s VAL 93 N -1.77 2.82 -0.04 3.17 1.01 -1.26 -2.24 120.40 122.09 2k1m s VAL 93 Ca 0.49 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 2k1m s VAL 93 Cb -0.14 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2k1m s VAL 93 CO 0.19 0.58 0.15 -0.63 0.00 0.00 0.00 175.10 175.39 2k1m s ILE 94 N -0.53 5.29 -2.00 2.22 1.01 -0.42 -4.90 121.20 121.86 2k1m s ILE 94 Ca 0.07 -0.12 0.28 0.00 0.00 0.00 0.00 60.65 60.89 2k1m s ILE 94 Cb -0.11 -3.41 0.80 0.00 0.01 0.00 0.00 42.46 39.75 2k1m s ILE 94 CO 0.01 0.41 2.03 1.21 0.00 0.00 0.00 174.94 178.60